SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_089322123.1 NCBI__GCF_900188395.1:WP_089322123.1 to proteins with known functional sites using BLASTp with E ≤ 0.001.

Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures

Found 20 (the maximum) hits to proteins with known functional sites (download)

P39533 Homocitrate dehydratase, mitochondrial; Aconitase 2; EC 4.2.1.- from Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast) (see paper)
34% identity, 98% coverage: 3:641/650 of query aligns to 54:782/789 of P39533

query
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P39533

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K610 (≠ R497) mutation to R: Reduces catalytic activity towards homoaconitate by 45% and increases the activity towards aconitate by a factor 116.

P19414 Aconitate hydratase, mitochondrial; Aconitase; Citrate hydro-lyase; EC 4.2.1.3 from Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast) (see 2 papers)
37% identity, 95% coverage: 25:642/650 of query aligns to 85:773/778 of P19414

query
sites
P19414

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W

I

V

V

V

-

I

G

G

G

D

E

E

N

N

Y

F

G

G

Q

E

G

G

S

S

S

S

R

R

E

E

H

H

A

A

A

A

I

L

G

E

P

P

M

R

Y

F

L

L

G

G

I

G

K

F

A

A

V

I

I

I

A

T

K

K

S

S

Y

F

A

A

R

R

I

I

H

H

R

E

A

T

N

N

L

L

I

K

N

K

F

Q

G

G

I

L

L

L

P

P

L

L

I

N

F

F

V

K

N

N

P

P

E

A

D

D

Y

Y

D

D

K

K

I

I

D

N

Q

P

G

D

D

D

I

R

L

I

E

D

I

I

-

L

D

G

T

L

S

A

N

E

F

L

A

A

P

P

G

G

E

K

D

P

N

V

I

T

I

M

T

R

V

V

I

H

N

P

R

K

T

N

-

G

K

K

G

P

I

W

S

D

I

A

P

V

T

L

K

T

H

H

G

T

L

F

N

N

E

D

R

E

Q

Q

V

I

K

E

I

W

I

F

K

K

A

Y

G

G

G

S

V

A

L

L

K

N

Y

K

V

I

K

K

R604 (= R497) mutation to K: Strongly diminishes the catalytic activity towards both known substrates, aconitate and homoaconitate.

Sites not aligning to the query:

1:16 modified: transit peptide, Mitochondrion

5acnA Structure of activated aconitase. Formation of the (4fe-4s) cluster in the crystal (see paper)
37% identity, 99% coverage: 3:643/650 of query aligns to 36:750/754 of 5acnA

query
sites
5acnA

L

L

N

T

I

L

V

S

Q

E

K

K

I

I

I

V

K

Y

T

G

H

H

L

L

-

D

-

D

-

P

V

A

E

N

G

Q

E

E

M

I

V

E

A

R

G

G

K

K

P

T

-

Y

I

L

A

R

I

L

K

R

I

P

D

D

Q

R

T

V

L

A

T

M

Q

Q

D

D

A

A

T

T

G

A

T

Q

M

M

A

A

Y

M

L

L

H

Q

F

F

E

I

S

S

M

S

G

G

L

L

P

P

K

K

V

V

Q

A

T

V

E

P

L

S

S

T

V

I

S

-

Y

H

V

C

D
|
D

H
|
H

N

L

T

I

-

E

I

A

Q

Q

A

L

G

G

G

G

P

E

E

K

-

D

-

L

-

R

-

R

-

A

-

K

-

D

-

I

N

N

A

Q

N

E

D

V

H

Y

L

N

F

F

L

L

Q

A

T

T

V

A

A

G

A

A

K

K

Y

Y

G

G

V

V

Y

G

F

F

S

W

K

R

A

P

G

G

N

S

G

G

I
|
I

C

I

H
|
H

Q

Q

I

I

H

I

L

L

E

E

R

N

F

Y

A

A

I

Y

P

P

G

G

K

V

T

L

L

L

L

I

G

G

S

T

D
|
D

S

S

H
|
H

T

T

P

P

T

N

A

G

G

G

G

G

I

L

G

G

S

G

L

I

A

C

I

I

G

G

A

V

G

G

G

G

M

A

D

D

I

A

A

V

L

D

A

V

M

M

A

A

G

G

E

I

P

P

F

W

Y

E

L

L

N
x
K

M

C

P

P

K

K

V

V

V

I

R

G

V

V

N

K

L

L

Y

T

G

G

K

S

L

L

R

S

P

G

F

W

V

T

S

S

A

P

K

K

D

D

V

V

I

I

L

L

E

K

L

V

L

A

R

G

R

I

L

L

S

T

V

V

K

K

G

G

G

G

V

T

G
|
G

K

A

V

I

F

V

E

E

Y

Y

G

H

G

G

E

P

G

G

V

V

K

D

Y

S

L

I

T

S

V

C

P

T

E

G

R

M

A

A

T

T

I

I

T

C

N

N

M

M

G

G

A

A

E

E

L

I

G

G

A

A

T

T

S

T

S

S

I

V

F

F

P

P

S

Y

D

N

E

H

Q

R

T

M

Y

K

I

K

F

Y

M

L

K

S

A

K

Q

T

G

G

R

R

-

A

-

D

-

I

-

A

-

N

-

L

-

A

E

D

A

E

Q

F

W

K

R

D

R

H

L

L

E

V

A

P

D

D

P

P

D

G

A

C

E

H

Y

Y

D

D

E

Q

V

V

I

I

D

E

I

I

D

N

L

L

S

S

E

E

L

L

E

K

P

P

L

H

I

I

A

N

C

G

P

P

H

F

M

T

P

P

D

D

-

L

-

A

-

H

-

P

-

V

-

A

E

E

V

V

K

G

K

S

V

V

K

A

E

E

L

K

E

E

G

G

-

W

-

P

M

L

K

D

V

I

H

R

Q

V

V

G

A

L

I

I

G

G

S

S

C
|
C

T

T

N

N

S

S

S

S

Y

Y

R

E

D

D

L

M

M

G

M

R

V

S

A

A

K

A

M

V

F

A

E

K

Q

Q

A

A

K

-

K

-

T

L

V

A

H

H

P

G

M

L

V

K

S

C

A

K

A

S

-

Q

-

F

-

T

I

I

S

T

P

P

G

G

S

S

K

E

Q

Q

V

I

L

R

R

A

M

T

I

I

D

E

K

R

E

D

G

G

M

Y

Y

A

D

Q

V

V

L

L

L

R

R

D

A

V

G

G

F

G

R

I

F

V

L

L

E

A

C

N

A

A

C
|
C

G

G

P

P

C
|
C

I

I

G

G

M

Q

G

W

-

D

-

R

-

K

-

D

F

I

S

K

P

K

P

G

S

E

G

K

G

N

V

T

S

I

V

V

R

T

T

S

F

Y

N
|
N

R
|
R

N

N

F

F

L

T

G

G

R

R

S

N

-

D

G

A

T

N

K

P

D

E

A

T

Q

H

V

A

Y

F

L

V

A

T

S

S

P

P

E

E

T

I

A

V

A

T

A

A

I

L

A

A

M

I

T

A

G

G

E

T

M

L

K

K

-

F

D

N

P

P

R

E

D

T

L

D

G

F

L

L

-

T

-

G

-

K

-

D

-

G

E

K

E

K

I

F

K

K

I

L

F

E

L

A

P

P

E

D

-

A

-

D

-

E

-

L

-

P

-

R

-

A

K

E

F

F

E

D

I

P

D

G

D

Q

S

D

M

T

I

Y

F

Q

A

H

P

P

A

P

A

K

D

D

P

S

D

S

E

G

V

Q

E

R

V

V

W

D

K

V

G

S

P

P

T

T

I

S

N

Q

Y

R

I

L

G

Q

Y

L

K

L

E

E

P

P

L

F

G

-

D

D

K

K

L

W

E

D

G

G

-

K

-

D

-

L

-

E

-

D

-

L

E

Q

V

I

L

L

L

I

K

K

V

V

G

K

D

G

N

K

I

C

T

T

T

T

D

D

H

H

I

I

I

S

P

A

G

A

G

G

A

P

K

-

I

W

L

L

P

K

L

F

R

R

S

G

N

H

I

L

P

D

A

N

I

I

S

S

-

N

-

N

-

L

-

L

-

I

-

G

-

A

-

I

-

N

-

I

-

E

-

N

-

R

-

K

-

A

E

N

Y

S

V

V

Y

R

S

N

V

A

V

V

D

T

E

Q

N

E

F

F

-

G

-

P

-

V

-

P

-

D

-

T

A

A

K

R

R

Y

A

Y

K

K

E

Q

K

H

G

G

G

I

G

R

F

W

I

V

V

V

-

I

G

G

G

D

E

E

N

N

Y

Y

G

G

Q

E

G

G

S
|
S

S

S

R
|
R

E

E

H

H

A

S

A

A

I

L

G

E

P

P

M

R

Y

H

L

L

G

G

I

G

K

R

A

A

V

I

I

I

A

T

K

K

S

S

Y

F

A

A

R
|
R

I

I

H

H

R

E

A

T

N

N

L

L

I

K

N

K

F

Q

G

G

I

L

L

L

P

P

L

L

I

T

F

F

V

A

N

D

P

P

E

A

D

D

Y

Y

D

N

K

K

I

I

D

H

Q

P

G

V

D

D

I

K

L

L

E

T

I

I

D

Q

-

G

T

L

S

K

N

D

F

F

A

A

P

P

G

G

E

K

D

P

N

-

I

L

I

K

T

C

V

I

I

I

N

K

R

H

T

P

K

N

G

G

I

T

-

Q

-

E

S

T

I

I

P

L

T

L

K

N

H

H

G

T

L

F

N

N

E

E

R

T

Q

Q

V

I

K

E

I

W

I

F

K

R

A

A

G

G

G

S

V

A

L

L

K

N

Y

R

V

M

K

K

D

E

active site: D100 (= D64), H101 (= H65), D165 (= D120), R447 (= R382), S642 (= S537), R644 (= R539)
binding fe3-s4 cluster: I145 (= I100), H147 (= H102), H167 (= H122), C358 (= C298), C421 (= C360), C424 (= C363), N446 (= N381)
binding tricarballylic acid: K198 (≠ N153), G235 (= G190), R666 (= R561)

P16276 Aconitate hydratase, mitochondrial; Aconitase; Citrate hydro-lyase; EC 4.2.1.3 from Sus scrofa (Pig) (see 3 papers)
37% identity, 99% coverage: 3:643/650 of query aligns to 63:777/781 of P16276

query
sites
P16276

L

L

N

T

I

L

V

S

Q

E

K

K

I

I

I

V

K

Y

T

G

H

H

L

L

-

D

-

D

-

P

V

A

E

N

G

Q

E

E

M

I

V

E

A

R

G

G

K

K

P

T

-

Y

I

L

A

R

I

L

K

R

I

P

D

D

Q

R

T

V

L

A

T

M

Q
|
Q

D

D

A

A

T

T

G

A

T

Q

M

M

A

A

Y

M

L

L

H

Q

F

F

E

I

S

S

M

S

G

G

L

L

P

P

K

K

V

V

Q

A

T

V

E

P

L

S

S

T

V

I

S

-

Y

H

V

C

D

D

H

H

N

L

T

I

-

E

I

A

Q

Q

A

L

G

G

G

G

P

E

E

K

-

D

-

L

-

R

-

R

-

A

-

K

-

D

-

I

N

N

A

Q

N

E

D

V

H

Y

L

N

F

F

L

L

Q

A

T

T

V

A

A

G

A

A

K

K

Y

Y

G

G

V

V

Y

G

F

F

S

W

K

R

A

P

G

G

N

S

G

G

I

I

C

I

H

H

Q

Q

I

I

H

I

L

L

E

E

R

N

F

Y

A

A

I

Y

P

P

G

G

K

V

T

L

L

L

L

I

G

G

S

T

D
|
D

S
|
S

H
|
H

T

T

P

P

T

N

A

G

G

G

G

G

I

L

G

G

S

G

L

I

A

C

I

I

G

G

A

V

G

G

G

G

M

A

D

D

I

A

A

V

L

D

A

V

M

M

A

A

G

G

E

I

P

P

F

W

Y

E

L

L

N

K

M

C

P

P

K

K

V

V

V

I

R

G

V

V

N

K

L

L

Y

T

G

G

K

S

L

L

R

S

P

G

F

W

V

T

S

S

A

P

K

K

D

D

V

V

I

I

L

L

E

K

L

V

L

A

R

G

R

I

L

L

S

T

V

V

K

K

G

G

G

G

V

T

G

G

K

A

V

I

F

V

E

E

Y

Y

G

H

G

G

E

P

G

G

V

V

K

D

Y

S

L

I

T

S

V

C

P

T

E

G

R

M

A

A

T

T

I

I

T

C

N

N

M

M

G

G

A

A

E

E

L

I

G

G

A

A

T

T

S

T

S

S

I

V

F

F

P

P

S

Y

D

N

E

H

Q

R

T

M

Y

K

I

K

F

Y

M

L

K

S

A

K

Q

T

G

G

R

R

-

A

-

D

-

I

-

A

-

N

-

L

-

A

E

D

A

E

Q

F

W

K

R

D

R

H

L

L

E

V

A

P

D

D

P

P

D

G

A

C

E

H

Y

Y

D

D

E

Q

V

V

I

I

D

E

I

I

D

N

L

L

S

S

E

E

L

L

E

K

P

P

L

H

I

I

A

N

C

G

P

P

H

F

M

T

P

P

D

D

-

L

-

A

-

H

-

P

-

V

-

A

E

E

V

V

K

G

K

S

V

V

K

A

E

E

L

K

E

E

G

G

-

W

-

P

M

L

K

D

V

I

H

R

Q

V

V

G

A

L

I

I

G

G

S

S

C
|
C

T

T

N

N

S

S

S

S

Y

Y

R

E

D

D

L

M

M

G

M

R

V

S

A

A

K

A

M

V

F

A

E

K

Q

Q

A

A

K

-

K

-

T

L

V

A

H

H

P

G

M

L

V

K

S

C

A

K

A

S

-

Q

-

F

-

T

I

I

S

T

P

P

G

G

S

S

K

E

Q

Q

V

I

L

R

R

A

M

T

I

I

D

E

K

R

E

D

G

G

M

Y

Y

A

D

Q

V

V

L

L

L

R

R

D

A

V

G

G

F

G

R

I

F

V

L

L

E

A

C

N

A

A

C
|
C

G

G

P

P

C
|
C

I

I

G

G

M

Q

G

W

-

D

-

R

-

K

-

D

F

I

S

K

P

K

P

G

S

E

G

K

G

N

V

T

S

I

V

V

R

T

T

S

F

Y

N

N

R
|
R

N

N

F

F

L

T

G

G

R
|
R

S

N

-

D

G

A

T

N

K

P

D

E

A

T

Q

H

V

A

Y

F

L

V

A

T

S

S

P

P

E

E

T

I

A

V

A

T

A

A

I

L

A

A

M

I

T

A

G

G

E

T

M

L

K

K

-

F

D

N

P

P

R

E

D

T

L

D

G

F

L

L

-

T

-

G

-

K

-

D

-

G

E

K

E

K

I

F

K

K

I

L

F

E

L

A

P

P

E

D

-

A

-

D

-

E

-

L

-

P

-

R

-

A

K

E

F

F

E

D

I

P

D

G

D

Q

S

D

M

T

I

Y

F

Q

A

H

P

P

A

P

A

K

D

D

P

S

D

S

E

G

V

Q

E

R

V

V

W

D

K

V

G

S

P

P

T

T

I

S

N

Q

Y

R

I

L

G

Q

Y

L

K

L

E

E

P

P

L

F

G

-

D

D

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K

L

W

E

D

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G

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K

-

D

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L

-

E

-

D

-

L

E

Q

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I

L

L

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I

K

K

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V

G

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D

G

N

K

I

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T

D

D

H

H

I

I

I

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A

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A

G

G

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-

I

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L

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L

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R

S

G

N

H

I

L

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D

A

N

I

I

S

S

-

N

-

N

-

L

-

L

-

I

-

G

-

A

-

I

-

N

-

I

-

E

-

N

-

R

-

K

-

A

E

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Y

S

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Y

R

S

N

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A

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E

Q

N

E

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F

-

G

-

P

-

V

-

P

-

D

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A

A

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Y

A

Y

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E

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H

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G

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F

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I

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E

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Y

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E

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|
S

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R

E

E

H

H

A

R

A

A

I

L

G

E

P

P

M

R

Y

H

L

L

G

G

I

G

K

R

A

A

V

I

I

I

A

T

K

K

S

S

Y

F

A

A

R

R

I

I

H

H

R

E

A

T

N

N

L

L

I

K

N

K

F

Q

G

G

I

L

L

L

P

P

L

L

I

T

F

F

V

A

N

D

P

P

E

A

D

D

Y

Y

D

N

K

K

I

I

D

H

Q

P

G

V

D

D

I

K

L

L

E

T

I

I

D

Q

-

G

T

L

S

K

N

D

F

F

A

A

P

P

G

G

E

K

D

P

N

-

I

L

I

K

T

C

V

I

I

I

N

K

R

H

T

P

K

N

G

G

I

T

-

Q

-

E

S

T

I

I

P

L

T

L

K

N

H

H

G

T

L

F

N

N

E

E

R

T

Q

Q

V

I

K

E

I

W

I

F

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A

A

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A

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N

Y

R

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K

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D

E

Q99 (= Q35) binding substrate
DSH 192:194 (= DSH 120:122) binding substrate
C385 (= C298) binding [4Fe-4S] cluster
C448 (= C360) binding [4Fe-4S] cluster
C451 (= C363) binding [4Fe-4S] cluster
R474 (= R382) binding substrate
R479 (= R387) binding substrate
R607 (= R497) binding substrate
SR 670:671 (= SR 538:539) binding substrate

Sites not aligning to the query:

28 modified: Pyrrolidone carboxylic acid

1b0kA S642a:fluorocitrate complex of aconitase (see paper)
37% identity, 99% coverage: 3:643/650 of query aligns to 35:749/753 of 1b0kA

query
sites
1b0kA

L

L

N

T

I

L

V

S

Q

E

K

K

I

I

I

V

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Y

T

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H

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L

-

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-

D

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A

A

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A

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M

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D

H
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H

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I

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I

A

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A

L

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E

E

K

-

D

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L

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A

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I

N

N

A

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N

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L

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F

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A

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A

A

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A

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K

Y

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C

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C

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C

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D

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A

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E

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D

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S

-

N

-

N

-

L

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L

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A

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-

N

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I

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E

-

N

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Y

R

S

N

V

A

V

V

D

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N

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F

-

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-

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A

A

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A

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H

G

G

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I

G

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I

G

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G

D

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E

N

N

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Y

G

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E

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S
x
A

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S

R
|
R

E

E

H

H

A

S

A

A

I

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E

P

P

M

R

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H

L

L

G

G

I

G

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R

A

A

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I

A

T

K

K

S

S

Y

F

A

A

R

R

I

I

H

H

R

E

A

T

N

N

L

L

I

K

N

K

F

Q

G

G

I

L

L

L

P

P

L

L

I

T

F

F

V

A

N

D

P

P

E

A

D

D

Y

Y

D

N

K

K

I

I

D

H

Q

P

G

V

D

D

I

K

L

L

E

T

I

I

D

Q

-

G

T

L

S

K

N

D

F

F

A

A

P

P

G

G

E

K

D

P

N

-

I

L

I

K

T

C

V

I

I

I

N

K

R

H

T

P

K

N

G

G

I

T

-

Q

-

E

S

T

I

I

P

L

T

L

K

N

H

H

G

T

L

F

N

N

E

E

R

T

Q

Q

V

I

K

E

I

W

I

F

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R

A

A

G

G

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S

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A

L

L

K

N

Y

R

V

M

K

K

D

E

active site: D99 (= D64), H100 (= H65), D164 (= D120), R446 (= R382), A641 (≠ S537), R643 (= R539)
binding citrate anion: Q71 (= Q35), H100 (= H65), D164 (= D120), S165 (= S121), R446 (= R382), R451 (= R387), R579 (= R497), A641 (≠ S537), S642 (= S538), R643 (= R539)
binding oxygen atom: D164 (= D120), H166 (= H122)
binding iron/sulfur cluster: H100 (= H65), D164 (= D120), H166 (= H122), S356 (= S297), C357 (= C298), C420 (= C360), C423 (= C363)

P20004 Aconitate hydratase, mitochondrial; Aconitase; Citrate hydro-lyase; EC 4.2.1.3 from Bos taurus (Bovine) (see 2 papers)
37% identity, 99% coverage: 3:643/650 of query aligns to 63:777/780 of P20004

query
sites
P20004

L

L

N

T

I

L

V

S

Q

E

K

K

I

I

I

V

K

Y

T

G

H

H

L

L

-

D

-

D

-

P

V

A

E

N

G

Q

E

E

M

I

V

E

A

R

G

G

K

K

P

T

-

Y

I

L

A

R

I

L

K

R

I

P

D

D

Q

R

T

V

L

A

T

M

Q
|
Q

D

D

A

A

T

T

G

A

T

Q

M

M

A

A

Y

M

L

L

H

Q

F

F

E

I

S

S

M

S

G

G

L

L

P

P

K

K

V

V

Q

A

T

V

E

P

L

S

S

T

V

I

S

-

Y

H

V

C

D

D

H

H

N

L

T

I

-

E

I

A

Q

Q

A

L

G

G

G

G

P

E

E

K

-

D

-

L

-

R

-

R

-

A

-

K

-

D

-

I

N

N

A

Q

N

E

D

V

H

Y

L

N

F

F

L

L

Q

A

T

T

V

A

A

G

A

A

K

K

Y

Y

G

G

V

V

Y

G

F

F

S

W

K

R

A

P

G

G

N

S

G

G

I

I

C

I

H

H

Q

Q

I

I

H

I

L

L

E

E

R

N

F

Y

A

A

I

Y

P

P

G

G

K

V

T

L

L

L

L

I

G

G

S

T

D
|
D

S
|
S

H
|
H

T

T

P

P

T

N

A

G

G

G

G

G

I

L

G

G

S

G

L

I

A

C

I

I

G

G

A

V

G

G

G

G

M

A

D

D

I

A

A

V

L

D

A

V

M

M

A

A

G

G

E

I

P

P

F

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Y

E

L

L

N

K

M

C

P

P

K

K

V

V

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N

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L

L

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T

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G

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L

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S

A

P

K

K

D

D

V

V

I

I

L

L

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L

A

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R

I

L

L

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T

V

V

K

K

G

G

G

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G

G

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A

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F

V

E

E

Y

Y

G

H

G

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G

G

V

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K

D

Y

S

L

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T

S

V

C

P

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E

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M

A

A

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T

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I

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C

N

N

M

M

G

G

A

A

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E

L

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G

A

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I

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M

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I

K

F

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M

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A

K

Q

T

G

G

R

R

-

A

-

D

-

I

-

A

-

N

-

L

-

A

E

D

A

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R

D

R

H

L

L

E

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A

P

D

D

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D

G

A

C

E

H

Y

Y

D

D

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I

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I

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N

L

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E

E

L

L

E

K

P

P

L

H

I

I

A

N

C

G

P

P

H

F

M

T

P

P

D

D

-

L

-

A

-

H

-

P

-

V

-

A

E

E

V

V

K

G

K

S

V

V

K

A

E

E

L

K

E

E

G

G

-

W

-

P

M

L

K

D

V

I

H

R

Q

V

V

G

A

L

I

I

G

G

S

S

C
|
C

T

T

N

N

S

S

S

S

Y

Y

R

E

D

D

L

M

M

G

M

R

V

S

A

A

K

A

M

V

F

A

E

K

Q

Q

A

A

-

L

K

A

K

H

T

G

V

L

H

Q

P

C

M

K

V

S

S

Q

A

F

A

T

I

I

S

T

P

P

G

G

S

S

K

E

Q

Q

V

I

L

R

R

A

M

T

I

I

D

E

K

R

E

D

G

G

M

Y

Y

A

D

Q

V

I

L

L

L

R

R

D

A

V

G

G

F

G

R

I

F

V

L

L

E

A

C

N

A

A

C
|
C

G

G

P

P

C
|
C

I

I

G

G

M

Q

G

W

-

D

-

R

-

K

-

D

F

I

S

K

P

K

P

G

S

E

G

K

G

N

V

T

S

I

V

V

R

T

T

S

F

Y

N

N

R
|
R

N

N

F

F

L

T

G

G

R
|
R

S

N

-

D

G

A

T

N

K

P

D

E

A

T

Q

H

V

A

Y

F

L

V

A

T

S

S

P

P

E

E

T

I

A

V

A

T

A

A

I

L

A

A

M

I

T

A

G

G

E

T

M

L

K

K

-

F

D

N

P

P

R

E

D

T

L

D

G

F

L

L

-

T

-

G

-

K

-

D

-

G

E

K

E

K

I

F

K

K

I

L

F

E

L

A

P

P

E

D

-

A

-

D

-

E

-

L

-

P

-

R

-

A

K

E

F

F

E

D

I

P

D

G

D

Q

S

D

M

T

I

Y

F

Q

A

H

P

P

A

P

A

K

D

D

P

S

D

S

E

G

V

Q

E

Q

V

V

W

D

K

V

G

S

P

P

T

T

I

S

N

Q

Y

R

I

L

G

Q

Y

L

K

L

E

E

P

P

L

F

G

-

D

D

K

K

L

W

E

D

G

G

-

R

-

D

-

L

-

E

-

D

-

L

E

Q

V

I

L

L

L

I

K

K

V

V

G

K

D

G

N

K

I

C

T

T

T

T

D

D

H

H

I

I

I

S

P

A

G

A

G

G

A

P

K

-

I

W

L

L

P

K

L

F

R
|
R

S

G

N

H

I

L

P

D

A

N

I

I

S

S

-

N

-

N

-

L

-

L

-

I

-

G

-

A

-

I

-

N

-

V

-

E

-

N

-

G

-

K

-

A

E

N

Y

S

V

V

Y

R

S

N

V

A

V

V

D

T

E

Q

N

E

F

F

-

G

-

P

-

V

-

P

-

D

-

T

A

A

K

R

R

Y

A

Y

K

K

E

K

K

H

G

G

G

I

G

R

F

W

I

V

V

V

-

I

G

G

G

D

E

E

N

N

Y

Y

G

G

Q

E

G

G

S

S

S
|
S

R
|
R

E

E

H

H

A

A

A

A

I

L

G

E

P

P

M

R

Y

H

L

L

G

G

I

G

K

R

A

A

V

I

I

I

A

T

K

K

S

S

Y

F

A

A

R

R

I

I

H

H

R

E

A

T

N

N

L

L

I

K

N

K

F

Q

G

G

I

L

L

L

P

P

L

L

I

T

F

F

V

A

N

D

P

P

E

A

D

D

Y

Y

D

N

K

K

I

I

D

H

Q

P

G

V

D

D

I

K

L

L

E

T

I

I

D

K

-

G

T

L

S

K

N

D

F

F

A

A

P

P

G

G

E

K

D

P

N

-

I

L

I

T

T

C

V

I

I

I

N

K

R

H

T

P

K

N

G

G

I

T

-

Q

-

E

S

T

I

I

P

L

T

L

K

N

H

H

G

T

L

F

N

N

E

E

R

T

Q

Q

V

I

K

E

I

W

I

F

K

R

A

A

G

G

G

S

V

A

L

L

K

N

Y

R

V

M

K

K

D

E

Q99 (= Q35) binding substrate
DSH 192:194 (= DSH 120:122) binding substrate
C385 (= C298) binding [4Fe-4S] cluster
C448 (= C360) binding [4Fe-4S] cluster
C451 (= C363) binding [4Fe-4S] cluster
R474 (= R382) binding substrate
R479 (= R387) binding substrate
R607 (= R497) binding substrate
SR 670:671 (= SR 538:539) binding substrate

8acnA Crystal structures of aconitase with isocitrate and nitroisocitrate bound (see paper)
37% identity, 99% coverage: 3:643/650 of query aligns to 35:749/753 of 8acnA

query
sites
8acnA

L

L

N

T

I

L

V

S

Q

E

K

K

I

I

I

V

K

Y

T

G

H

H

L

L

-

D

-

D

-

P

V

A

E

N

G

Q

E

E

M

I

V

E

A

R

G

G

K

K

P

T

-

Y

I

L

A

R

I

L

K

R

I

P

D

D

Q

R

T

V

L

A

T

M

Q
|
Q

D

D

A

A

T
|
T

G

A

T

Q

M

M

A

A

Y

M

L

L

H

Q

F

F

E

I

S

S

M

S

G

G

L

L

P

P

K

K

V

V

Q

A

T

V

E

P

L

S

S

T

V

I

S

-

Y

H

V

C

D
|
D

H
|
H

N

L

T

I

-

E

I

A

Q

Q

A

L

G

G

G

G

P

E

E

K

-

D

-

L

-

R

-

R

-

A

-

K

-

D

-

I

N

N

A

Q

N

E

D

V

H

Y

L

N

F

F

L

L

Q

A

T

T

V

A

A

G

A

A

K

K

Y

Y

G

G

V

V

Y

G

F

F

S

W

K

R

A

P

G

G

N

S

G

G

I

I

C

I

H

H

Q

Q

I

I

H

I

L

L

E

E

R

N

F

Y

A

A

I

Y

P

P

G

G

K

V

T

L

L

L

L

I

G

G

S

T

D
|
D

S
|
S

H
|
H

T

T

P

P

T

N

A

G

G

G

G

G

I

L

G

G

S

G

L

I

A

C

I

I

G

G

A

V

G

G

G

G

M

A

D

D

I

A

A

V

L

D

A

V

M

M

A

A

G

G

E

I

P

P

F

W

Y

E

L

L

N

K

M

C

P

P

K

K

V

V

V

I

R

G

V

V

N

K

L

L

Y

T

G

G

K

S

L

L

R

S

P

G

F

W

V

T

S

S

A

P

K

K

D

D

V

V

I

I

L

L

E

K

L

V

L

A

R

G

R

I

L

L

S

T

V

V

K

K

G

G

G

G

V

T

G

G

K

A

V

I

F

V

E

E

Y

Y

G

H

G

G

E

P

G

G

V

V

K

D

Y

S

L

I

T

S

V

C

P

T

E

G

R

M

A

A

T

T

I

I

T

C

N

N

M

M

G

G

A

A

E

E

L

I

G

G

A

A

T

T

S

T

S

S

I

V

F

F

P

P

S

Y

D

N

E

H

Q

R

T

M

Y

K

I

K

F

Y

M

L

K

S

A

K

Q

T

G

G

R

R

-

A

-

D

-

I

-

A

-

N

-

L

-

A

E

D

A

E

Q

F

W

K

R

D

R

H

L

L

E

V

A

P

D

D

P

S

D

G

A

C

E

H

Y

Y

D

D

E

Q

V

L

I

I

D

E

I

I

D

N

L

L

S

S

E

E

L

L

E

K

P

P

L

H

I

I

A

N

C

G

P

P

H

F

M

T

P

P

D

D

-

L

-

A

-

H

-

P

-

V

-

A

E

E

V

V

K

G

K

S

V

V

K

A

E

E

L

K

E

E

G

G

-

W

-

P

M

L

K

D

V

I

H

R

Q

V

V

G

A

L

I

I

G

G

S
|
S

C
|
C

T

T

N

N

S

S

S

S

Y

Y

R

E

D

D

L

M

M

G

M

R

V

S

A

A

K

A

M

V

F

A

E

K

Q

Q

A

A

K

-

K

-

T

L

V

A

H

H

P

G

M

L

V

K

S

C

A

K

A

S

-

Q

-

F

-

T

I

I

S

T

P

P

G

G

S

S

K

E

Q

Q

V

I

L

R

R

A

M

T

I

I

D

E

K

R

E

D

G

G

M

Y

Y

A

D

Q

V

V

L

L

L

R

R

D

A

V

G

G

F

G

R

I

F

V

L

L

E

A

C

N

A

A

C
|
C

G

G

P

P

C
|
C

I
|
I

G

G

M

Q

G

W

-

D

-

R

-

K

-

D

F

I

S

K

P

K

P

G

S

E

G

K

G

N

V

T

S

I

V

V

R

T

T

S

F

Y

N

N

R
|
R

N

N

F

F

L

T

G

G

R
|
R

S

N

-

D

G

A

T

N

K

P

D

E

A

T

Q

H

V

A

Y

F

L

V

A

T

S

S

P

P

E

E

T

I

A

V

A

T

A

A

I

L

A

A

M

I

T

A

G

G

E

T

M

L

K

K

-

F

D

N

P

P

R

E

D

T

L

D

G

F

L

L

-

T

-

G

-

K

-

D

-

G

E

K

E

K

I

F

K

K

I

L

F

E

L

A

P

P

E

D

-

A

-

D

-

E

-

L

-

P

-

R

-

A

K

E

F

F

E

D

I

P

D

G

D

Q

S

D

M

T

I

Y

F

Q

A

H

P

P

A

P

A

K

D

D

P

S

D

S

E

G

V

Q

E

R

V

V

W

D

K

V

G

S

P

P

T

T

I

S

N

Q

Y

R

I

L

G

Q

Y

L

K

L

E

E

P

P

L

F

G

-

D

D

K

K

L

W

E

D

G

G

-

K

-

D

-

L

-

E

-

D

-

L

E

Q

V

I

L

L

L

I

K

K

V

V

G

K

D

G

N

K

I

C

T

T

T

T

D

D

H

H

I

I

I

S

P

A

G

A

G

G

A

P

K

-

I

W

L

L

P

K

L

F

R
|
R

S

G

N

H

I

L

P

D

A

N

I

I

S

S

-

N

-

N

-

L

-

L

-

I

-

G

-

A

-

I

-

N

-

S

-

E

-

N

-

R

-

K

-

A

E

N

Y

S

V

V

Y

R

S

N

V

A

V

V

D

T

E

Q

N

E

F

F

-

G

-

P

-

V

-

P

-

D

-

T

A

A

K

R

R

Y

A

Y

K

K

E

Q

K

H

G

G

G

I

G

R

F

W

I

V

V

V

-

I

G

G

G

D

E

E

N

N

Y

Y

G

G

Q

E

G

G

S
|
S

S
|
S

R
|
R

E

E

H

H

A

S

A

A

I

L

G

E

P

P

M

R

Y

F

L

L

G

G

I

G

K

R

A

A

V

I

I

I

A

T

K

K

S

S

Y

F

A

A

R

R

I

I

H

H

R

E

A

T

N

N

L

L

I

K

N

K

F

Q

G

G

I

L

L

L

P

P

L

L

I

T

F

F

V

A

N

D

P

P

E

A

D

D

Y

Y

D

N

K

K

I

I

D

H

Q

P

G

V

D

D

I

K

L

L

E

T

I

I

D

Q

-

G

T

L

S

K

N

D

F

F

A

A

P

P

G

G

E

K

D

P

N

-

I

L

I

T

T

C

V

I

I

I

N

K

R

H

T

P

K

N

G

G

I

T

-

Q

-

E

S

T

I

I

P

L

T

L

K

N

H

H

G

T

L

F

N

N

E

E

R

T

Q

Q

V

I

K

E

I

W

I

F

K

R

A

A

G

G

G

S

V

A

L

L

K

N

Y

R

V

M

K

K

D

E

active site: D99 (= D64), H100 (= H65), D164 (= D120), R446 (= R382), S641 (= S537), R643 (= R539)
binding nitroisocitric acid: Q71 (= Q35), T74 (= T38), H100 (= H65), D164 (= D120), S165 (= S121), R446 (= R382), R451 (= R387), R579 (= R497), S641 (= S537), S642 (= S538), R643 (= R539)
binding iron/sulfur cluster: H100 (= H65), D164 (= D120), H166 (= H122), S356 (= S297), C357 (= C298), C420 (= C360), C423 (= C363), I424 (= I364)

1fghA Complex with 4-hydroxy-trans-aconitate (see paper)
37% identity, 99% coverage: 3:643/650 of query aligns to 35:749/753 of 1fghA

query
sites
1fghA

L

L

N

T

I

L

V

S

Q

E

K

K

I

I

I

V

K

Y

T

G

H

H

L

L

-

D

-

D

-

P

V

A

E

N

G

Q

E

E

M

I

V

E

A

R

G

G

K

K

P

T

-

Y

I

L

A

R

I

L

K

R

I

P

D

D

Q

R

T

V

L

A

T

M

Q
|
Q

D

D

A

A

T
|
T

G

A

T

Q

M

M

A

A

Y

M

L

L

H

Q

F

F

E

I

S

S

M

S

G

G

L

L

P

P

K

K

V

V

Q

A

T

V

E

P

L

S

S

T

V

I

S

-

Y

H

V

C

D
|
D

H
|
H

N

L

T

I

-

E

I

A

Q

Q

A

L

G

G

G

G

P

E

E

K

-

D

-

L

-

R

-

R

-

A

-

K

-

D

-

I

N

N

A

Q

N

E

D

V

H

Y

L

N

F

F

L

L

Q

A

T

T

V

A

A

G

A

A

K

K

Y

Y

G

G

V

V

Y

G

F

F

S

W

K

R

A

P

G

G

N

S

G

G

I

I

C

I

H

H

Q

Q

I

I

H

I

L

L

E

E

R

N

F

Y

A

A

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A

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G

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A

L

L

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Y

R

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M

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D

E

active site: D99 (= D64), H100 (= H65), D164 (= D120), R446 (= R382), S641 (= S537), R643 (= R539)
binding 4-hydroxy-aconitate ion: Q71 (= Q35), T74 (= T38), H100 (= H65), D164 (= D120), S165 (= S121), R446 (= R382), R451 (= R387), R579 (= R497), S641 (= S537), S642 (= S538), R643 (= R539)
binding iron/sulfur cluster: H100 (= H65), D164 (= D120), H166 (= H122), S356 (= S297), C357 (= C298), C420 (= C360), C423 (= C363), I424 (= I364), R451 (= R387)

1amjA Steric and conformational features of the aconitase mechanism (see paper)
37% identity, 99% coverage: 3:643/650 of query aligns to 35:749/753 of 1amjA

query
sites
1amjA

L

L

N

T

I

L

V

S

Q

E

K

K

I

I

I

V

K

Y

T

G

H

H

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K

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Y

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L

A

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I

L

K

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D

D

Q

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T

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L

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Q
|
Q

D

D

A

A

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T

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A

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Q

M

M

A

A

Y

M

L

L

H

Q

F

F

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I

S

S

M

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G

L

L

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P

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K

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V

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D
|
D

H
|
H

N

L

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I

A

Q

Q

A

L

G

G

G

G

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|
I

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Q

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|
D

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|
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|
C

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|
C

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|
S

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I

W

I

F

K

R

A

A

G

G

G

S

V

A

L

L

K

N

Y

R

V

M

K

K

D

E

active site: D99 (= D64), H100 (= H65), D164 (= D120), R446 (= R382), S641 (= S537), R643 (= R539)
binding iron/sulfur cluster: I144 (= I100), H166 (= H122), C357 (= C298), C420 (= C360), C423 (= C363)
binding sulfate ion: Q71 (= Q35), R579 (= R497), R643 (= R539)

1amiA Steric and conformational features of the aconitase mechanism (see paper)
37% identity, 99% coverage: 3:643/650 of query aligns to 35:749/753 of 1amiA

query
sites
1amiA

L

L

N

T

I

L

V

S

Q

E

K

K

I

I

I

V

K

Y

T

G

H

H

L

L

-

D

-

D

-

P

V

A

E

N

G

Q

E

E

M

I

V

E

A

R

G

G

K

K

P

T

-

Y

I

L

A

R

I

L

K

R

I

P

D

D

Q

R

T

V

L

A

T

M

Q
|
Q

D

D

A

A

T
|
T

G

A

T

Q

M

M

A

A

Y

M

L

L

H

Q

F

F

E

I

S

S

M

S

G

G

L

L

P

P

K

K

V

V

Q

A

T

V

E

P

L

S

S

T

V

I

S

-

Y

H

V

C

D
|
D

H
|
H

N

L

T

I

-

E

I

A

Q

Q

A

L

G

G

G

G

P

E

E

K

-

D

-

L

-

R

-

R

-

A

-

K

-

D

-

I

N

N

A

Q

N

E

D

V

H

Y

L

N

F

F

L

L

Q

A

T

T

V

A

A

G

A

A

K

K

Y

Y

G

G

V

V

Y

G

F

F

S

W

K

R

A

P

G

G

N

S

G

G

I
|
I

C

I

H

H

Q

Q

I

I

H

I

L

L

E

E

R

N

F

Y

A

A

I

Y

P

P

G

G

K

V

T

L

L

L

L

I

G

G

S

T

D
|
D

S
|
S

H
|
H

T

T

P

P

T

N

A

G

G

G

G

G

I

L

G

G

S

G

L

I

A

C

I

I

G

G

A

V

G

G

G

G

M

A

D

D

I

A

A

V

L

D

A

V

M

M

A

A

G

G

E

I

P

P

F

W

Y

E

L

L

N

K

M

C

P

P

K

K

V

V

V

I

R

G

V

V

N

K

L

L

Y

T

G

G

K

S

L

L

R

S

P

G

F

W

V

T

S

S

A

P

K

K

D

D

V

V

I

I

L

L

E

K

L

V

L

A

R

G

R

I

L

L

S

T

V

V

K

K

G

G

G

G

V

T

G

G

K

A

V

I

F

V

E

E

Y

Y

G

H

G

G

E

P

G

G

V

V

K

D

Y

S

L

I

T

S

V

C

P

T

E

G

R

M

A

A

T

T

I

I

T

C

N

N

M

M

G

G

A

A

E

E

L

I

G

G

A

A

T

T

S

T

S

S

I

V

F

F

P

P

S

Y

D

N

E

H

Q

R

T

M

Y

K

I

K

F

Y

M

L

K

S

A

K

Q

T

G

G

R

R

-

A

-

D

-

I

-

A

-

N

-

L

-

A

E

D

A

E

Q

F

W

K

R

D

R

H

L

L

E

V

A

P

D

D

P

S

D

G

A

C

E

H

Y

Y

D

D

E

Q

V

L

I

I

D

E

I

I

D

N

L

L

S

S

E

E

L

L

E

K

P

P

L

H

I

I

A

N

C

G

P

P

H

F

M

T

P

P

D

D

-

L

-

A

-

H

-

P

-

V

-

A

E

E

V

V

K

G

K

S

V

V

K

A

E

E

L

K

E

E

G

G

-

W

-

P

M

L

K

D

V

I

H

R

Q

V

V

G

A

L

I

I

G

G

S
|
S

C
|
C

T

T

N

N

S

S

S

S

Y

Y

R

E

D

D

L

M

M

G

M

R

V

S

A

A

K

A

M

V

F

A

E

K

Q

Q

A

A

K

-

K

-

T

L

V

A

H

H

P

G

M

L

V

K

S

C

A

K

A

S

-

Q

-

F

-

T

I

I

S

T

P

P

G

G

S

S

K

E

Q

Q

V

I

L

R

R

A

M

T

I

I

D

E

K

R

E

D

G

G

M

Y

Y

A

D

Q

V

V

L

L

L

R

R

D

A

V

G

G

F

G

R

I

F

V

L

L

E

A

C

N

A

A

C
|
C

G

G

P

P

C
|
C

I

I

G

G

M

Q

G

W

-

D

-

R

-

K

-

D

F

I

S

K

P

K

P

G

S

E

G

K

G

N

V

T

S

I

V

V

R

T

T

S

F

Y

N
|
N

R
|
R

N

N

F

F

L

T

G

G

R
|
R

S

N

-

D

G

A

T

N

K

P

D

E

A

T

Q

H

V

A

Y

F

L

V

A

T

S

S

P

P

E

E

T

I

A

V

A

T

A

A

I

L

A

A

M

I

T

A

G

G

E

T

M

L

K

K

-

F

D

N

P

P

R

E

D

T

L

D

G

F

L

L

-

T

-

G

-

K

-

D

-

G

E

K

E

K

I

F

K

K

I

L

F

E

L

A

P

P

E

D

-

A

-

D

-

E

-

L

-

P

-

R

-

A

K

E

F

F

E

D

I

P

D

G

D

Q

S

D

M

T

I

Y

F

Q

A

H

P

P

A

P

A

K

D

D

P

S

D

S

E

G

V

Q

E

R

V

V

W

D

K

V

G

S

P

P

T

T

I

S

N

Q

Y

R

I

L

G

Q

Y

L

K

L

E

E

P

P

L

F

G

-

D

D

K

K

L

W

E

D

G

G

-

K

-

D

-

L

-

E

-

D

-

L

E

Q

V

I

L

L

L

I

K

K

V

V

G

K

D

G

N

K

I

C

T

T

T

T

D

D

H

H

I

I

I

S

P

A

G

A

G

G

A

P

K

-

I

W

L

L

P

K

L

F

R
|
R

S

G

N

H

I

L

P

D

A

N

I

I

S

S

-

N

-

N

-

L

-

L

-

I

-

G

-

A

-

I

-

N

-

S

-

E

-

N

-

R

-

K

-

A

E

N

Y

S

V

V

Y

R

S

N

V

A

V

V

D

T

E

Q

N

E

F

F

-

G

-

P

-

V

-

P

-

D

-

T

A

A

K

R

R

Y

A

Y

K

K

E

Q

K

H

G

G

G

I

G

R

F

W

I

V

V

V

-

I

G

G

G

D

E

E

N

N

Y

Y

G

G

Q

E

G

G

S
|
S

S
|
S

R
|
R

E

E

H

H

A

S

A

A

I

L

G

E

P

P

M

R

Y

F

L

L

G

G

I

G

K

R

A

A

V

I

I

I

A

T

K

K

S

S

Y

F

A

A

R

R

I

I

H

H

R

E

A

T

N

N

L

L

I

K

N

K

F

Q

G

G

I

L

L

L

P

P

L

L

I

T

F

F

V

A

N

D

P

P

E

A

D

D

Y

Y

D

N

K

K

I

I

D

H

Q

P

G

V

D

D

I

K

L

L

E

T

I

I

D

Q

-

G

T

L

S

K

N

D

F

F

A

A

P

P

G

G

E

K

D

P

N

-

I

L

I

T

T

C

V

I

I

I

N

K

R

H

T

P

K

N

G

G

I

T

-

Q

-

E

S

T

I

I

P

L

T

L

K

N

H

H

G

T

L

F

N

N

E

E

R

T

Q

Q

V

I

K

E

I

W

I

F

K

R

A

A

G

G

G

S

V

A

L

L

K

N

Y

R

V

M

K

K

D

E

active site: D99 (= D64), H100 (= H65), D164 (= D120), R446 (= R382), S641 (= S537), R643 (= R539)
binding alpha-methylisocitric acid: Q71 (= Q35), T74 (= T38), H100 (= H65), D164 (= D120), S165 (= S121), R446 (= R382), R451 (= R387), R579 (= R497), S641 (= S537), S642 (= S538), R643 (= R539)
binding iron/sulfur cluster: H100 (= H65), I144 (= I100), D164 (= D120), H166 (= H122), S356 (= S297), C357 (= C298), C420 (= C360), C423 (= C363), N445 (= N381)

1acoA Crystal structure of aconitase with transaconitate bound (see paper)
37% identity, 99% coverage: 3:643/650 of query aligns to 35:749/753 of 1acoA

query
sites
1acoA

L

L

N

T

I

L

V

S

Q

E

K

K

I

I

I

V

K

Y

T

G

H

H

L

L

-

D

-

D

-

P

V

A

E

N

G

Q

E

E

M

I

V

E

A

R

G

G

K

K

P

T

-

Y

I

L

A

R

I

L

K

R

I

P

D

D

Q

R

T

V

L

A

T

M

Q
|
Q

D

D

A

A

T

T

G

A

T

Q

M

M

A

A

Y

M

L

L

H

Q

F

F

E

I

S

S

M

S

G

G

L

L

P

P

K

K

V

V

Q

A

T

V

E

P

L

S

S

T

V

I

S

-

Y

H

V

C

D
|
D

H
|
H

N

L

T

I

-

E

I

A

Q

Q

A

L

G

G

G

G

P

E

E

K

-

D

-

L

-

R

-

R

-

A

-

K

-

D

-

I

N

N

A

Q

N

E

D

V

H

Y

L

N

F

F

L

L

Q

A

T

T

V

A

A

G

A

A

K

K

Y

Y

G

G

V

V

Y

G

F

F

S

W

K

R

A

P

G

G

N

S

G

G

I
|
I

C

I

H

H

Q

Q

I

I

H

I

L

L

E

E

R

N

F

Y

A

A

I

Y

P

P

G

G

K

V

T

L

L

L

L

I

G

G

S

T

D
|
D

S
|
S

H
|
H

T

T

P

P

T

N

A

G

G

G

G

G

I

L

G

G

S

G

L

I

A

C

I

I

G

G

A

V

G

G

G

G

M

A

D

D

I

A

A

V

L

D

A

V

M

M

A

A

G

G

E

I

P

P

F

W

Y

E

L

L

N

K

M

C

P

P

K

K

V

V

V

I

R

G

V

V

N

K

L

L

Y

T

G

G

K

S

L

L

R

S

P

G

F

W

V

T

S

S

A

P

K

K

D

D

V

V

I

I

L

L

E

K

L

V

L

A

R

G

R

I

L

L

S

T

V

V

K

K

G

G

G

G

V

T

G

G

K

A

V

I

F

V

E

E

Y

Y

G

H

G

G

E

P

G

G

V

V

K

D

Y

S

L

I

T

S

V

C

P

T

E

G

R

M

A

A

T

T

I

I

T

C

N

N

M

M

G

G

A

A

E

E

L

I

G

G

A

A

T

T

S

T

S

S

I

V

F

F

P

P

S

Y

D

N

E

H

Q

R

T

M

Y

K

I

K

F

Y

M

L

K

S

A

K

Q

T

G

G

R

R

-

A

-

D

-

I

-

A

-

N

-

L

-

A

E

D

A

E

Q

F

W

K

R

D

R

H

L

L

E

V

A

P

D

D

P

S

D

G

A

C

E

H

Y

Y

D

D

E

Q

V

L

I

I

D

E

I

I

D

N

L

L

S

S

E

E

L

L

E

K

P

P

L

H

I

I

A

N

C

G

P

P

H

F

M

T

P

P

D

D

-

L

-

A

-

H

-

P

-

V

-

A

E

E

V

V

K

G

K

S

V

V

K

A

E

E

L

K

E

E

G

G

-

W

-

P

M

L

K

D

V

I

H

R

Q

V

V

G

A

L

I

I

G

G

S
|
S

C
|
C

T

T

N

N

S

S

S

S

Y

Y

R

E

D

D

L

M

M

G

M

R

V

S

A

A

K

A

M

V

F

A

E

K

Q

Q

A

A

K

-

K

-

T

L

V

A

H

H

P

G

M

L

V

K

S

C

A

K

A

S

-

Q

-

F

-

T

I

I

S

T

P

P

G

G

S

S

K

E

Q

Q

V

I

L

R

R

A

M

T

I

I

D

E

K

R

E

D

G

G

M

Y

Y

A

D

Q

V

V

L

L

L

R

R

D

A

V

G

G

F

G

R

I

F

V

L

L

E

A

C

N

A

A

C
|
C

G

G

P

P

C
|
C

I

I

G

G

M

Q

G

W

-

D

-

R

-

K

-

D

F

I

S

K

P

K

P

G

S

E

G

K

G

N

V

T

S

I

V

V

R

T

T

S

F

Y

N
|
N

R
|
R

N

N

F

F

L

T

G

G

R
|
R

S

N

-

D

G

A

T

N

K

P

D

E

A

T

Q

H

V

A

Y

F

L

V

A

T

S

S

P

P

E

E

T

I

A

V

A

T

A

A

I

L

A

A

M

I

T

A

G

G

E

T

M

L

K

K

-

F

D

N

P

P

R

E

D

T

L

D

G

F

L

L

-

T

-

G

-

K

-

D

-

G

E

K

E

K

I

F

K

K

I

L

F

E

L

A

P

P

E

D

-

A

-

D

-

E

-

L

-

P

-

R

-

A

K

E

F

F

E

D

I

P

D

G

D

Q

S

D

M

T

I

Y

F

Q

A

H

P

P

A

P

A

K

D

D

P

S

D

S

E

G

V

Q

E

R

V

V

W

D

K

V

G

S

P

P

T

T

I

S

N

Q

Y

R

I

L

G

Q

Y

L

K

L

E

E

P

P

L

F

G

-

D

D

K

K

L

W

E

D

G

G

-

K

-

D

-

L

-

E

-

D

-

L

E

Q

V

I

L

L

L

I

K

K

V

V

G

K

D

G

N

K

I

C

T

T

T

T

D

D

H

H

I

I

I

S

P

A

G

A

G

G

A

P

K

-

I

W

L

L

P

K

L

F

R
|
R

S

G

N

H

I

L

P

D

A

N

I

I

S

S

-

N

-

N

-

L

-

L

-

I

-

G

-

A

-

I

-

N

-

S

-

E

-

N

-

R

-

K

-

A

E

N

Y

S

V

V

Y

R

S

N

V

A

V

V

D

T

E

Q

N

E

F

F

-

G

-

P

-

V

-

P

-

D

-

T

A

A

K

R

R

Y

A

Y

K

K

E

Q

K

H

G

G

G

I

G

R

F

W

I

V

V

V

-

I

G

G

G

D

E

E

N

N

Y

Y

G

G

Q

E

G

G

S
|
S

S
|
S

R
|
R

E

E

H

H

A

S

A

A

I

L

G

E

P

P

M

R

Y

F

L

L

G

G

I

G

K

R

A

A

V

I

I

I

A

T

K

K

S

S

Y

F

A

A

R

R

I

I

H

H

R

E

A

T

N

N

L

L

I

K

N

K

F

Q

G

G

I

L

L

L

P

P

L

L

I

T

F

F

V

A

N

D

P

P

E

A

D

D

Y

Y

D

N

K

K

I

I

D

H

Q

P

G

V

D

D

I

K

L

L

E

T

I

I

D

Q

-

G

T

L

S

K

N

D

F

F

A

A

P

P

G

G

E

K

D

P

N

-

I

L

I

T

T

C

V

I

I

I

N

K

R

H

T

P

K

N

G

G

I

T

-

Q

-

E

S

T

I

I

P

L

T

L

K

N

H

H

G

T

L

F

N

N

E

E

R

T

Q

Q

V

I

K

E

I

W

I

F

K

R

A

A

G

G

G

S

V

A

L

L

K

N

Y

R

V

M

K

K

D

E

active site: D99 (= D64), H100 (= H65), D164 (= D120), R446 (= R382), S641 (= S537), R643 (= R539)
binding iron/sulfur cluster: H100 (= H65), I144 (= I100), D164 (= D120), H166 (= H122), S356 (= S297), C357 (= C298), C420 (= C360), C423 (= C363), N445 (= N381)
binding aconitate ion: Q71 (= Q35), D164 (= D120), S165 (= S121), R446 (= R382), R451 (= R387), R579 (= R497), S641 (= S537), S642 (= S538), R643 (= R539)

1nisA Crystal structure of aconitase with trans-aconitate and nitrocitrate bound (see paper)
37% identity, 99% coverage: 3:643/650 of query aligns to 35:749/753 of 1nisA

query
sites
1nisA

L

L

N

T

I

L

V

S

Q

E

K

K

I

I

I

V

K

Y

T

G

H

H

L

L

-

D

-

D

-

P

V

A

E

N

G

Q

E

E

M

I

V

E

A

R

G

G

K

K

P

T

-

Y

I

L

A

R

I

L

K

R

I

P

D

D

Q

R

T

V

L

A

T

M

Q
|
Q

D

D

A

A

T

T

G

A

T

Q

M

M

A

A

Y

M

L

L

H

Q

F

F

E

I

S

S

M

S

G

G

L

L

P

P

K

K

V

V

Q

A

T

V

E

P

L

S

S

T

V

I

S

-

Y

H

V

C

D
|
D

H
|
H

N

L

T

I

-

E

I

A

Q

Q

A

L

G

G

G

G

P

E

E

K

-

D

-

L

-

R

-

R

-

A

-

K

-

D

-

I

N

N

A

Q

N

E

D

V

H

Y

L

N

F

F

L

L

Q

A

T

T

V

A

A

G

A

A

K

K

Y

Y

G

G

V

V

Y

G

F

F

S

W

K

R

A

P

G

G

N

S

G

G

I
|
I

C

I

H

H

Q

Q

I

I

H

I

L

L

E

E

R

N

F

Y

A

A

I

Y

P

P

G

G

K

V

T

L

L

L

L

I

G

G

S

T

D
|
D

S
|
S

H
|
H

T

T

P

P

T

N

A

G

G

G

G

G

I

L

G

G

S

G

L

I

A

C

I

I

G

G

A

V

G

G

G

G

M

A

D

D

I

A

A

V

L

D

A

V

M

M

A

A

G

G

E

I

P

P

F

W

Y

E

L

L

N

K

M

C

P

P

K

K

V

V

V

I

R

G

V

V

N

K

L

L

Y

T

G

G

K

S

L

L

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S

P

G

F

W

V

T

S

S

A

P

K

K

D

D

V

V

I

I

L

L

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K

L

V

L

A

R

G

R

I

L

L

S

T

V

V

K

K

G

G

G

G

V

T

G

G

K

A

V

I

F

V

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E

Y

Y

G

H

G

G

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P

G

G

V

V

K

D

Y

S

L

I

T

S

V

C

P

T

E

G

R

M

A

A

T

T

I

I

T

C

N

N

M

M

G

G

A

A

E

E

L

I

G

G

A

A

T

T

S

T

S

S

I

V

F

F

P

P

S

Y

D

N

E

H

Q

R

T

M

Y

K

I

K

F

Y

M

L

K

S

A

K

Q

T

G

G

R

R

-

A

-

D

-

I

-

A

-

N

-

L

-

A

E

D

A

E

Q

F

W

K

R

D

R

H

L

L

E

V

A

P

D

D

P

S

D

G

A

C

E

H

Y

Y

D

D

E

Q

V

L

I

I

D

E

I

I

D

N

L

L

S

S

E

E

L

L

E

K

P

P

L

H

I

I

A

N

C

G

P

P

H

F

M

T

P

P

D

D

-

L

-

A

-

H

-

P

-

V

-

A

E

E

V

V

K

G

K

S

V

V

K

A

E

E

L

K

E

E

G

G

-

W

-

P

M

L

K

D

V

I

H

R

Q

V

V

G

A

L

I

I

G

G

S
|
S

C
|
C

T

T

N

N

S

S

S

S

Y

Y

R

E

D

D

L

M

M

G

M

R

V

S

A

A

K

A

M

V

F

A

E

K

Q

Q

A

A

K

-

K

-

T

L

V

A

H

H

P

G

M

L

V

K

S

C

A

K

A

S

-

Q

-

F

-

T

I

I

S

T

P

P

G

G

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S

K

E

Q

Q

V

I

L

R

R

A

M

T

I

I

D

E

K

R

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D

G

G

M

Y

Y

A

D

Q

V

V

L

L

L

R

R

D

A

V

G

G

F

G

R

I

F

V

L

L

E

A

C

N

A

A

C
|
C

G

G

P

P

C
|
C

I

I

G

G

M

Q

G

W

-

D

-

R

-

K

-

D

F

I

S

K

P

K

P

G

S

E

G

K

G

N

V

T

S

I

V

V

R

T

T

S

F

Y

N

N

R
|
R

N

N

F

F

L

T

G

G

R
|
R

S

N

-

D

G

A

T

N

K

P

D

E

A

T

Q

H

V

A

Y

F

L

V

A

T

S

S

P

P

E

E

T

I

A

V

A

T

A

A

I

L

A

A

M

I

T

A

G

G

E

T

M

L

K

K

-

F

D

N

P

P

R

E

D

T

L

D

G

F

L

L

-

T

-

G

-

K

-

D

-

G

E

K

E

K

I

F

K

K

I

L

F

E

L

A

P

P

E

D

-

A

-

D

-

E

-

L

-

P

-

R

-

A

K

E

F

F

E

D

I

P

D

G

D

Q

S

D

M

T

I

Y

F

Q

A

H

P

P

A

P

A

K

D

D

P

S

D

S

E

G

V

Q

E

R

V

V

W

D

K

V

G

S

P

P

T

T

I

S

N

Q

Y

R

I

L

G

Q

Y

L

K

L

E

E

P

P

L

F

G

-

D

D

K

K

L

W

E

D

G

G

-

K

-

D

-

L

-

E

-

D

-

L

E

Q

V

I

L

L

L

I

K

K

V

V

G

K

D

G

N

K

I

C

T

T

T

T

D

D

H

H

I

I

I

S

P

A

G

A

G

G

A

P

K

-

I

W

L

L

P

K

L

F

R
|
R

S

G

N

H

I

L

P

D

A

N

I

I

S

S

-

N

-

N

-

L

-

L

-

I

-

G

-

A

-

I

-

N

-

S

-

E

-

N

-

R

-

K

-

A

E

N

Y

S

V

V

Y

R

S

N

V

A

V

V

D

T

E

Q

N

E

F

F

-

G

-

P

-

V

-

P

-

D

-

T

A

A

K

R

R

Y

A

Y

K

K

E

Q

K

H

G

G

G

I

G

R

F

W

I

V

V

V

-

I

G

G

G

D

E

E

N

N

Y

Y

G

G

Q

E

G

G

S
|
S

S
|
S

R
|
R

E

E

H

H

A

R

A

A

I

L

G

E

P

P

M

R

Y

F

L

L

G

G

I

G

K

R

A

A

V

I

I

I

A

T

K

K

S

S

Y

F

A

A

R

R

I

I

H

H

R

E

A

T

N

N

L

L

I

K

N

K

F

Q

G

G

I

L

L

L

P

P

L

L

I

T

F

F

V

A

N

D

P

P

E

A

D

D

Y

Y

D

N

K

K

I

I

D

H

Q

P

G

V

D

D

I

K

L

L

E

T

I

I

D

Q

-

G

T

L

S

K

N

D

F

F

A

A

P

P

G

G

E

K

D

P

N

-

I

L

I

T

T

C

V

I

I

I

N

K

R

H

T

P

K

N

G

G

I

T

-

Q

-

E

S

T

I

I

P

L

T

L

K

N

H

H

G

T

L

F

N

N

E

E

R

T

Q

Q

V

I

K

E

I

W

I

F

K

R

A

A

G

G

G

S

V

A

L

L

K

N

Y

R

V

M

K

K

D

E

active site: D99 (= D64), H100 (= H65), D164 (= D120), R446 (= R382), S641 (= S537), R643 (= R539)
binding 2-hydroxy-2-nitromethyl succinic acid: Q71 (= Q35), H100 (= H65), D164 (= D120), S165 (= S121), R446 (= R382), R451 (= R387), R579 (= R497), S641 (= S537), S642 (= S538)
binding iron/sulfur cluster: H100 (= H65), I144 (= I100), H166 (= H122), S356 (= S297), C357 (= C298), C420 (= C360), C423 (= C363)

4kp1A Crystal structure of ipm isomerase large subunit from methanococcus jannaschii (mj0499) (see paper)
35% identity, 64% coverage: 2:418/650 of query aligns to 1:423/423 of 4kp1A

query
sites
4kp1A

G

G

L

M

N

T

I

I

V

V

Q

E

K

K

I

I

I

L

K

A

T

K

H

A

L

S

V

G

E

K

G

K

E

E

M

V

V

S

A

P

G

G

K

D

P

I

I

V

A

M

I

A

K

N

I

I

D

D

Q

V

T

A

L

M

T

V

Q

H

D

D

A

I

T

T

G

G

T

P

M

L

A

T

Y

V

L

N

H

T

F

L

E

K

S

E

M

Y

G

G

L

I

P

E

K

K

V

V

Q

W

T

N

E

P

L

E

S

K

V

I

S

V

Y

I

V

L

D

F

H
x
D

N
x
H

T

Q

I

V

Q

P

A

A

G

D

G

S

P

I

E

K

N

A

A

A

N

E

D

N

H

H

L

I

F

L

L

M

Q

R

T

K

V

F

A

V

A

K

K

E

Y

Q

G

G

V

I

-

K

Y

Y

F

F

S

Y

K

D

A

I

G

R

N

E

G

G

I

V

C

C

H

H

Q

Q

I

V

H

L

L

P

E

E

R

K

F

G

A

H

I

V

-

A

P

P

G

G

K

E

T

V

L

V

L

V

G

G

S

A

D
|
D

S

S

H

H

T

T

P

C

T

T

A

H

G

G

G

A

I

F

G

G

S

A

L

F

A

A

I

T

G

G

A

I

G

G

G

S

M

T

D

D

I

M

A

A

L

H

A

V

M

F

A

A

G

T

E

G

P

K

F

L

Y

W

L

F

N

K

M

V

P

P

K

E

V

T

V

I

R

Y

V

F

N

N

L

I

Y

T

G

G

K

D

L

L

R

Q

P

P

F

Y

V

V

S

T

A

S

K

K

D

D

V

V

I

I

L

L

E

S

L

I

L

I

R

G

R

E

L

V

S

G

V

V

K

D

G

G

G

A

V

T

G

Y

K

K

V

A

F

C

E

Q

Y

F

G

G

G

G

E

E

G

T

V

V

K

K

Y

K

L

M

T

S

V

I

P

A

E

S

R

R

A

M

T

T

I

M

T

T

N

N

M

M

G

A

A

I

E

E

L

M

G

G

A

G

T

K

S

T

S

G

I

I

F

I

P

E

S

P

D

D

E

E

Q

K

T

T

Y

I

I

Q

F

Y

-

V

-

K

-

E

-

A

M

M

K

K

A

K

Q

H

G

G

R

T

E

E

A

R

Q

P

W

F

R

E

R

V

L

I

E

K

A

G

D

D

P

E

D

D

A

A

E

E

Y

F

D

A

E

E

V

V

I

Y

D

E

I

I

D

E

L

A

S

D

E

K

L

I

E

E

P

P

L

V

I

F

A

A

C

C

P

P

H

H

M

N

P

V

D

D

E

N

V

V

K

K

K

Q

V

A

K

R

E

E

L

V

E

A

G

G

M

K

K

P

V

I

H

D

Q

Q

V

V

A
x
F

I

I

G

G

S
|
S

C
|
C

T
|
T

N

N

S

G

S

R

Y

L

R

E

D

D

L

L

M

R

M

M

V

A

A

I

K

K

M

I

F

I

E

E

Q

K

A

-

K

H

K

G

T

G

V

I

H

A

P

D

M

D

V

V

S

R

A

V

A

V

I

V

S

T

P

P

G

A

S

S

K

R

Q

E

V

E

L

Y

R

L

M

K

I

A

D

L

K

K

E

E

G

G

M

I

Y

I

D

E

V

K

L

F

L

L

R

K

A

Y

G

G

F

C

R

V

F

V

L

T

E

N

C

P

A

S

C

C

G

S

P

A

C

C

I

M

G

G

-

S

-

L

M

Y

G

G

F

V

S

L

P

G

P

P

S

-

G

G

G

E

V

V

S

C

V

V

R
x
S

T

T

F

S

N

N

R
|
R

N

N

F
|
F

L

R

G

G

R

R

S

Q

G

G

T

S

K

L

D

E

A

A

Q

E

V

I

Y

Y

L

L

A

A

S

S

P

P

E

I

T

T

A

A

A

A

A

A

I

C

A

A

M

V

T

K

G

G

E

E

M

L

K

V

D

D

P

P

R

R

D

D

L

L

active site: D64 (≠ H65), H65 (≠ N66), D121 (= D120), R387 (= R382)
binding 2,4-dimethylpentane-2,4-diol: F299 (≠ A294), S302 (= S297), S383 (≠ R378), F389 (= F384)
binding magnesium ion: C303 (= C298), T304 (= T299), R387 (= R382)

4nqyA The reduced form of mj0499 (see paper)
35% identity, 64% coverage: 3:417/650 of query aligns to 1:409/409 of 4nqyA

query
sites
4nqyA

L

M

N

T

I

I

V

V

Q

E

K

K

I

I

I

L

K

A

T

K

H

A

L

S

V

G

E

K

G

K

E

E

M

V

V

S

A

P

G

G

K

D

P

I

I

V

A

M

I

A

K

N

I

I

D

D

Q

V

T

A

L

M

T

V

Q

H

D

D

A

I

T

T

G

G

T

P

M

L

A

T

Y

V

L

N

H

T

F

L

E

K

S

E

M

Y

G

G

L

I

P

E

K

K

V

V

Q

W

T

N

E

P

L

E

S

K

V

I

S

V

Y

I

V

L

D

F

H
x
D

N

N

T

-

I

-

Q

-

A

-

G

-

G

-

P

-

E

-

N

-

A

-

N

-

D

-

H

H

L

I

F

L

L

M

Q

R

T

K

V

F

A

V

A

K

K

E

Y

Q

G

G

V

I

-

K

Y

Y

F

F

S

Y

K

D

A

I

G

R

N

E

G

G

I

V

C

C

H

H

Q

Q

I

V

H

L

L

P

E

E

R

K

F

G

A

H

I

V

-

A

P

P

G

G

K

E

T

V

L

V

L

V

G

G

S

A

D
|
D

S

S

H

H

T

T

P

C

T

T

A

H

G

G

G

A

I

F

G

G

S

A

L

F

A

A

I

T

G

G

A

I

G

G

G

S

M

T

D

D

I

M

A

A

L

H

A

V

M

F

A

A

G

T

E

G

P

K

F

L

Y

W

L

F

N

K

M

V

P

P

K

E

V

T

V

I

R

Y

V

F

N

N

L

I

Y

T

G

G

K

D

L

L

R

Q

P

P

F

Y

V

V

S

T

A

S

K

K

D

D

V

V

I

I

L

L

E

S

L

I

L

I

R

G

R

E

L

V

S

G

V

V

K

D

G

G

G

A

V

T

G

Y

K

K

V

A

F

C

E

Q

Y

F

G

G

G

G

E

E

G

T

V

V

K

K

Y

K

L

M

T

S

V

I

P

A

E

S

R

R

A

M

T

T

I

M

T

T

N

N

M

M

G

A

A

I

E

E

L

M

G

G

A

G

T

K

S

T

S

G

I

I

F

I

P

E

S

P

D

D

E

E

Q

K

T

T

Y

I

I

Q

F

Y

-

V

-

K

-

E

-

A

M

M

K

K

A

K

Q

H

G

G

R

T

E

E

A

R

Q

P

W

F

R

E

R

V

L

I

E

K

A

G

D

D

P

E

D

D

A

A

E

E

Y

F

D

A

E

E

V

V

I

Y

D

E

I

I

D

E

L

A

S

D

E

K

L

I

E

E

P

P

L

V

I

F

A

A

C

C

P

P

H

H

M

N

P

V

D

D

E

N

V

V

K

K

K

Q

V

A

K

R

E

E

L

V

E

A

G

G

M

K

K

P

V

I

H

D

Q

Q

V

V

A

F

I

I

G

G

S

S

C

C

T

T

N

N

S

G

S

R

Y

L

R

E

D

D

L

L

M

R

M

M

V

A

A

I

K

K

M

I

F

I

E

E

Q

K

A

-

K

H

K

G

T

G

V

I

H

A

P

D

M

D

V

V

S

R

A

V

A

V

I

V

S

T

P

P

G

A

S

S

K

R

Q

E

V

E

L

Y

R

L

M

K

I

A

D

L

K

K

E

E

G

G

M

I

Y

I

D

E

V

K

L

F

L

L

R

K

A

Y

G

G

F

C

R

V

F

V

L

T

E

N

C

P

A

S

C
|
C

G

S

P

A

C
|
C

I

M

G

G

-

S

-

L

M

Y

G

G

F

V

S

L

P

G

P

P

S

-

G

G

G

E

V

V

S

C

V

V

R

S

T

T

F

S

N

N

R
|
R

N

N

F

F

L

R

G

G

R

R

S

Q

G

G

T

S

K

L

D

E

A

A

Q

E

V

I

Y

Y

L

L

A

A

S

S

P

P

E

I

T

T

A

A

A

A

A

A

I

C

A

A

M

V

T

K

G

G

E

E

M

L

K

V

D

D

P

P

R

R

D

D

active site: D63 (≠ H65), D108 (= D120), R374 (= R382)
binding zinc ion: C351 (= C360), C354 (= C363)

2b3xA Structure of an orthorhombic crystal form of human cytosolic aconitase (irp1) (see paper)
28% identity, 75% coverage: 97:586/650 of query aligns to 172:826/888 of 2b3xA

query
sites
2b3xA

G

G

N

S

G

G

I
|
I

C

I

H

H

Q

Q

I

V

H

N

L

L

E

E

R

Y

F

L

A

A

-

R

-

V

-

V

-

F

-

D

-

Q

-

D

-

G

-

Y

I

Y

P

Y

G

P

K

D

T

S

L

L

L

V

G

G

S

T

D
|
D

S

S

H
|
H

T

T

P

T

T

M

A

I

G

D

G

G

I

L

G

G

S

I

L

L

A

G

I

W

G

G

A

V

G

G

G

G

M

I

D

E

I

A

A

E

L

A

A

V

M

M

A

L

G

G

E

Q

P

P

F

I

Y

S

L

M

N

V

M

L

P

P

K

Q

V

V

V

I

R

G

V

Y

N

R

L

L

Y

M

G

G

K

K

L

P

R

H

P

P

F

L

V

V

S

T

A

S

K

T

D

D

V

I

I

V

L

L

E

T

L

I

L

T

R

K

R

H

L

L

S

R

V

Q

K

V

G

G

G

V

V

V

G

G

K

K

V

F

F

V

E

E

Y

F

G

F

G

G

E

P

G

G

V

V

K

A

Y

Q

L

L

T

S

V

I

P

A

E

D

R

R

A

A

T

T

I

I

T

A

N

N

M

M

G

C

A

P

E

E

L

Y

G

G

A

A

T

T

S

A

S

A

I

F

F

F

P

P

S

V

D

D

E

E

Q

V

T

S

Y

I

I

T

F

Y

M

L

K

V

A

Q

Q

T

G

G

R

R

E

D

A

E

Q

E

-

K

-

L

-

K

-

Y

-

I

W

K

R

K

R

Y

L

L

E

Q

A

A

-

V

-

G

-

M

-

F

-

R

-

D

-

F

-

N

D

D

P

P

-

S

-

Q

D

D

A

P

E

D

Y

F

D

T

E

Q

V

V

I

V

D

E

I

L

D

D

L

L

S

K

E

T

L

V

E

V

P

P

L

C

I

C

A

S

C

G

P

P

H

K

M

R

P

P

D

Q

E

D

V

K

K

V

K

A

V

V

K

S

E

D

L

M

-

K

-

K

-

D

-

F

-

E

-

S

-

C

-

L

-

G

-

A

-

K

E

Q

G

G

M

F

K

K

V

G

H

F

Q

Q

V

V

-

A

-

P

-

E

-

H

-

H

-

N

-

D

-

H

-

K

-

T

-

F

-

I

-

Y

-

D

-

N

-

T

-

E

-

F

-

T

-

L

-

A

-

H

-

G

-

S

-

V

-

V

-

I

-

A

A

A

I

I

G

T

S

S

C
|
C

T

T

N

N

S

T

S

S

Y

N

R

P

D

S

L

V

M

M

-

L

-

G

-

A

-

G

M

L

V

L

A

A

K

K

M

K

F

A

E

V

Q

D

A

A

K

G

K

L

T

N

V

V

H

M

P

P

M

Y

V

I

S

K

A

T

A

S

I

L

S

S

P

P

G

G

S

S

K

G

Q

V

V

V

L

T

R

Y

M

Y

I

L

D

Q

K

E

E

S

G

G

M

V

Y

M

D

P

V

Y

L

L

L

S

R

Q

A

L

G

G

F

F

R

D

F

V

L

V

E

G

C

Y

A

G

C
|
C

G

M

P

T

C
|
C

I
|
I

G

G

M

N

G

S

F

G

S

P

P

L

P

P

S

E

G

P

-

V

-

V

-

E

-

A

-

I

-

T

-

Q

-

G

-

D

-

L

-

V

G

A

V

V

S

G

V

V

R

L

T

S

F

G

N
|
N

R
|
R

N

N

F

F

L

E

G

G

R

R

S

V

G

H

T

P

K

N

D

T

A

R

Q

A

V

N

Y

Y

L

L

A

A

S

S

P

P

E

P

T

L

A

V

A

I

A

A

I

Y

A

A

M

I

T

A

G

G

E

T

M

I

-

R

-

I

-

D

-

F

-

E

K

K

D

E

P

P

R

L

D

G

L

V

G

N

L

A

E

K

E

G

I

Q

K

Q

I

V

F

F

L

L

P

K

-

D

-

I

-

W

-

P

-

T

-

R

-

D

-

E

-

I

-

Q

-

A

-

V

-

E

-

R

-

Q

-

Y

-

V

-

I

-

P

-

G

-

M

-

F

-

K

-

E

-

V

-

Y

E

Q

K

K

F

I

E

E

I

T

D

V

D

N

S

E

M

S

I

W

F

N

A

A

P

L

A

A

A

T

D

P

P

S

D

D

E

K

V

L

E

F

V

F

W

W

-

N

-

S

-

K

-

S

-

T

-

Y

-

I

K

K

G

S

P

P

T

P

I

F

-

F

-

E

N

N

Y

L

I

T

G

L

Y

D

K

L

E

Q

P

P

L

P

G

K

D

S

K

I

L

V

E

D

G

A

E

Y

V

V

L

L

L

L

K

N

V

L

G

G

D

D

N

S

I

V

T

T

T

T

D

D

H

H

I

I

I

S

P

P

G

A

G

G

-

N

-

I

-

A

-

R

-

N

-

S

-

P

-

A

A

A

K

R

I

Y

L

L

P

T

L

N

R

R

-

G

-

L

-

T

-

P

-

R

-

E

-

F

-

N

-

S

-

Y

-

G

-

S

-

R

-

R

-

G

-

N

-

D

-

A

-

V

-

M

-

A

-

R

-

G

-

T

-

F

S

A

N

N

I

I

P

R

A

L

I

L

S

N

E

R

Y

F

V

L

Y

N

S

K

V

Q

V

A

D

P

E

Q

N

T

F

I

-

H

-

L

-

P

-

S

-

G

-

E

-

I

-

L

-

D

-

V

-

F

-

D

-

A

A

A

K

E

R

R

A

Y

K

Q

E

Q

K

A

G

G

G

L

G

P

F

L

I

I

V

V

-

L

G

A

G

G

E

K

N

E

Y

Y

G

G

Q

A

G

G

S
|
S

S

S

R
|
R

E

D

H

W

A

A

A

A

I

K

G

G

P

P

M

F

Y

L

L

L

G

G

I

I

K

K

A

A

V

V

I

L

A

A

K

E

S

S

Y

Y

A

E

R

R

I

I

H

H

R

R

A

S

N

N

L

L

I

V

N

G

F

M

G

G

I

V

L

I

P

P

L

L

I

E

F

Y

V

L

N

P

P

G

E

E

D

N

Y

A

D

D

K

A

I

L

active site: D204 (= D120), R535 (= R382), S777 (= S537), R779 (= R539)
binding iron/sulfur cluster: I175 (= I100), H206 (= H122), C436 (= C298), C502 (= C360), C505 (= C363), I506 (= I364), N534 (= N381)

Sites not aligning to the query:

active site: 124, 125

P21399 Cytoplasmic aconitate hydratase; Aconitase; Citrate hydro-lyase; Ferritin repressor protein; Iron regulatory protein 1; IRP1; Iron-responsive element-binding protein 1; IRE-BP 1; EC 4.2.1.3 from Homo sapiens (Human) (see 2 papers)
28% identity, 75% coverage: 97:586/650 of query aligns to 173:827/889 of P21399

query
sites
P21399

G

G

N

S

G

G

I

I

C

I

H

H

Q

Q

I

V

H

N

L

L

E

E

R

Y

F

L

A

A

-

R

-

V

-

V

-

F

-

D

-

Q

-

D

-

G

-

Y

I

Y

P

Y

G

P

K

D

T

S

L

L

L

V

G

G

S

T

D

D

S

S

H

H

T

T

P

T

T

M

A

I

G

D

G

G

I

L

G

G

S

I

L

L

A

G

I

W

G

G

A

V

G

G

G

G

M

I

D

E

I

A

A

E

L

A

A

V

M

M

A

L

G

G

E

Q

P

P

F

I

Y

S

L

M

N

V

M

L

P

P

K

Q

V

V

V

I

R

G

V

Y

N

R

L

L

Y

M

G

G

K

K

L

P

R

H

P

P

F

L

V

V

S

T

A

S

K

T

D

D

V

I

I

V

L

L

E

T

L

I

L

T

R

K

R

H

L

L

S

R

V

Q

K

V

G

G

G

V

V

V

G

G

K

K

V

F

F

V

E

E

Y

F

G

F

G

G

E

P

G

G

V

V

K

A

Y

Q

L

L

T

S

V

I

P

A

E

D

R

R

A

A

T

T

I

I

T

A

N

N

M

M

G
x
C

A

P

E

E

L

Y

G

G

A

A

T

T

S

A

S

A

I

F

F

F

P

P

S

V

D

D

E

E

Q

V

T

S

Y

I

I
x
T

F

Y

M

L

K

V

A

Q

Q

T

G

G

R

R

E

D

A

E

Q

E

-

K

-

L

-

K

-

Y

-

I

W

K

R

K

R

Y

L

L

E

Q

A

A

-

V

-

G

-

M

-

F

-

R

-

D

-

F

-

N

D

D

P

P

-

S

-

Q

D

D

A

P

E

D

Y

F

D

T

E

Q

V

V

I

V

D

E

I

L

D

D

L

L

S

K

E

T

L

V

E

V

P

P

L

C

I

C

A

S

C

G

P

P

H

K

M

R

P

P

D

Q

E

D

V

K

K

V

K

A

V

V

K

S

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D

L

M

-

K

-

K

-

D

-

F

-

E

-

S

-

C

-

L

-

G

-

A

-

K

E

Q

G

G

M

F

K

K

V

G

H

F

Q

Q

V

V

-

A

-

P

-

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-

H

-

H

-

N

-

D

-

H

-

K

-

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-

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A

-

H

-

G

-

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-

V

-

V

-

I

-

A

A

A

I

I

G

T

S

S

C
|
C

T

T

N

N

S

T

S

S

Y

N

R

P

D

S

L

V

M

M

-

L

-

G

-

A

-

G

M

L

V

L

A

A

K

K

M

K

F

A

E

V

Q

D

A

A

K

G

K

L

T

N

V

V

H

M

P

P

M

Y

V

I

S

K

A

T

A

S

I

L

S

S

P

P

G

G

S

S

K

G

Q

V

V

V

L

T

R

Y

M

Y

I

L

D

Q

K

E

E

S

G

G

M

V

Y

M

D

P

V

Y

L

L

L

S

R

Q

A

L

G

G

F

F

R

D

F

V

L

V

E

G

C

Y

A

G

C
|
C

G

M

P

T

C
|
C

I

I

G

G

M

N

G

S

F

G

S

P

P

L

P

P

S

E

G

P

-

V

-

V

-

E

-

A

-

I

-

T

-

Q

-

G

-

D

-

L

-

V

G

A

V

V

S

G

V

V

R

L

T

S

F

G

N

N

R
|
R

N

N

F

F

L

E

G

G

R
|
R

S

V

G

H

T

P

K

N

D

T

A

R

Q

A

V

N

Y

Y

L

L

A

A

S

S

P

P

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P

T

L

A

V

A

I

A

A

I

Y

A

A

M

I

T

A

G

G

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M

I

-

R

-

I

-

D

-

F

-

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K

K

D

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P

P

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L

D

G

L

V

G

N

L

A

E

K

E

G

I

Q

K

Q

I

V

F

F

L

L

P

K

-

D

-

I

-

W

-

P

-

T

-

R

-

D

-

E

-

I

-

Q

-

A

-

V

-

E

-

R

-

Q

-

Y

-

V

-

I

-

P

-

G

-

M

-

F

-

K

-

E

-

V

-

Y

E

Q

K

K

F

I

E

E

I

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D

V

D

N

S

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M

S

I

W

F

N

A

A

P

L

A

A

A

T

D

P

P

S

D

D

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K

V

L

E

F

V

F

W

W

-

N

-

S

-

K

-

S

-

T

-

Y

-

I

K

K

G

S

P

P

T

P

I

F

-

F

-

E

N

N

Y

L

I

T

G

L

Y

D

K

L

E

Q

P

P

L

P

G

K

D

S

K

I

L

V

E

D

G

A

E

Y

V

V

L

L

L

L

K

N

V

L

G

G

D

D

N

S

I

V

T

T

T

T

D

D

H

H

I

I

I

S

P

P

G

A

G

G

-

N

-

I

-

A

-

R

-

N

-

S

-

P

-

A

A

A

K

R

I

Y

L

L

P

T

L

N

R
|
R

-

G

-

L

-

T

-

P

-

R

-

E

-

F

-

N

-

S

-

Y

-

G

-

S

-

R

-

R

-

G

-

N

-

D

-

A

-

V

-

M

-

A

-

R

-

G

-

T

-

F

S

A

N

N

I

I

P

R

A

L

I

L

S

N

E

R

Y

F

V

L

Y

N

S

K

V

Q

V

A

D

P

E

Q

N

T

F

I

-

H

-

L

-

P

-

S

-

G

-

E

-

I

-

L

-

D

-

V

-

F

-

D

-

A

A

A

K

E

R

R

A

Y

K

Q

E

Q

K

A

G

G

G

L

G

P

F

L

I

I

V

V

-

L

G

A

G

G

E

K

N

E

Y

Y

G

G

Q

A

G

G

S
|
S

S

S

R
|
R

E

D

H

W

A

A

A

A

I

K

G

G

P

P

M

F

Y

L

L

L

G

G

I

I

K

K

A

A

V

V

I

L

A

A

K

E

S

S

Y

Y

A

E

R

R

I

I

H

H

R

R

A

S

N

N

L

L

I

V

N

G

F

M

G

G

I

V

L

I

P

P

L

L

I

E

F

Y

V

L

N

P

P

G

E

E

D

N

Y

A

D

D

K

A

I

L

C300 (≠ G215) mutation to S: No effect on aconitase activity or on RNA binding.
T318 (≠ I233) to M: in dbSNP:rs150373174
C437 (= C298) mutation to S: Loss of aconitase activity. Leads to constitutive RNA binding, irrespective of iron levels.
C503 (= C360) mutation to S: Loss of aconitase activity. Leads to constitutive RNA binding, irrespective of iron levels.
C506 (= C363) mutation to S: Loss of aconitase activity. Leads to constitutive RNA binding, irrespective of iron levels.
R536 (= R382) mutation to Q: Strongly reduced RNA binding.
R541 (= R387) mutation to Q: Strongly reduced RNA binding.
R699 (= R497) mutation to K: No effect on RNA binding.
S778 (= S537) mutation to A: No effect on iron-regulated RNA binding. Loss of aconitase activity.
R780 (= R539) mutation to Q: Nearly abolishes RNA binding.

Q9SIB9 Aconitate hydratase 3, mitochondrial; Aconitase 3; mACO1; Citrate hydro-lyase 3; EC 4.2.1.3 from Arabidopsis thaliana (Mouse-ear cress) (see paper)
29% identity, 84% coverage: 97:641/650 of query aligns to 269:983/990 of Q9SIB9

query
sites
Q9SIB9

G

G

N

S

G

G

I

I

C

V

H

H

Q

Q

I

V

H

N

L

L

E

E

-

Y

-

L

-

G

R

R

F

V

A

V

I

F

P

N

G

T

K

K

T

G

L

L

L

L

-

Y

-

P

-

D

-

S

-

V

-

V

G

G

S

T

D

D

S

S

H

H

T

T

P

T

T

M

A

I

G

D

G

G

I

L

G

G

S

V

L

A

A

G

I

W

G

G

A

V

G

G

G

G

M

I

D

E

I

A

A

E

L

A

A

T

M

M

A

L

G

G

E

Q

P

P

F

M

Y

S

L

M

N

V

M

L

P

P

K

G

V

V

V

V

R

G

V

F

N

K

L

L

Y

A

G

G

K

K

L

M

R

R

P

N

F

G

V

V

S

T

A

A

K

T

D

D

V

L

I

V

L

L

E

T

L

V

L

T

R

Q

R

M

L

L

S

R

V

K

K

H

G

G

G

V

V

V

G

G

K

K

V

F

F

V

E

E

Y

F

G

Y

G

G

E

N

G

G

V

M

K

S

Y

G

L

L

T

S

V

L

P

A

E

D

R

R

A

A

T

T

I

I

T

A

N

N

M

M

G

S

A

P

E

E

L

Y

G

G

A

A

T

T

S

M

S

G

I

F

F

F

P

P

S

V

D

D

E

H

Q

V

T

T

Y

L

I

Q

F

Y

M

L

K

K

A

L

Q

T

G

G

R

R

-

S

-

D

-

E

-

T

-

V

-

A

-

M

-

I

E

E

A

A

Q

Y

W

L

R

R

R

A

-

N

-

N

-

M

-

F

-

V

-

D

-

Y

L

N

E

E

A

P

D

Q

P

Q

D

D

A

R

E

V

Y

Y

D

S

E

S

V

Y

I

L

D

E

I

L

D

N

L

L

S

D

E

D

L

V

E

E

P

P

L

C

I

I

A

S

C

G

P

P

H

K

M

R

P

P

D

H

E

D

V

R

K

V

K

T

V

L

K

K

E

E

L

M

E

K

-

A

-

D

-

W

-

H

-

S

-

C

-

L

-

D

-

S

-

K

-

V

G

G

M

F

K

K

-

G

-

F

-

A

-

I

-

P

-

K

-

E

-

A

-

Q

-

E

-

K

-

V

-

V

-

N

-

F

-

S

-

F

-

D

-

G

-

Q

-

P

-

A

-

E

-

L

-

K

-

H

-

G

-

S

V

V

H

V

Q

I

V

A

A

A

I

I

G

T

S

S

C

C

T

T

N

N

S

T

S

S

Y

N

R

P

D

S

L

V

M

M

-

L

-

G

-

A

-

G

M

L

V

V

A

A

K

K

M

K

F

A

E

C

Q

D

A

L

K

G

K

L

T

Q

V

V

H

K

P

P

M

W

V

I

S

K

A

T

A

S

I

L

S

A

P

P

G

G

S

S

K

G

Q

V

V

V

L

T

R

K

M

Y

I

L

D

L

K

K

E

S

G

G

M

L

Y

Q

D

E

V

Y

L

L

L

N

R

E

A

Q

G

G

F

F

R

N

F

I

L

V

E

G

C

Y

A

G

C

C

G

T

P

T

C

C

I

I

G

G

-

N

-

S

-

G

-

E

-

I

-

N

-

E

-

S

M

V

G

G

F

A

S

A

P

I

P

T

S

E

G

N

G

D

V

I

-

V

-

A

-

A

S

A

V

V

R

L

T

S

F

G

N

N

R

R

N

N

F

F

L

E

G

G

R

R

S

V

G

H

T

P

K

L

D

T

A

R

Q

A

V

N

Y

Y

L

L

A

A

S

S

P

P

E

P

T

L

A

V

A

V

A

A

I

Y

A

A

M

L

T

A

G

G

E

T

M

V

-

N

-

I

-

D

-

F

-

E

-

T

-

E

-

P

-

I

-

G

-

K

-

G

K

K

D

N

P

G

R

K

D

D

L

V

G

F

L

L

E

R

E

D

I

I

K

W

I

P

F

T

L

T

P

E

E

E

K

I

F

A

E

E

I

V

D

V

D

Q

S

S

M

S

I

V

F

L

A

P

P

D

-

M

-

F

-

R

-

A

-

T

-

Y

-

E

-

S

-

I

-

T

-

K

-

G

-

N

-

P

-

M

-

W

-

N

-

K

-

L

-

S

-

V

-

P

-

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-

N

-

T

-

L

-

Y

A

S

A

W

D

D

P

P

D

N

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S

V

T

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Y

V

I

W

H

K

E

G

P

P

P

T

Y

I

F

N

K

Y

D

I

M

G

T

Y

M

K

D

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P

P

P

L

G

G

P

D

H

K

N

L

V

-

K

E

D

G

A

E

Y

V

C

L

L

L

L

K

N

V

F

G

G

D

D

N

S

I

I

T

T

T

T

D

D

H

H

I

I

I

S

P

P

G

A

G

G

-

N

-

I

-

Q

-

K

-

D

-

S

-

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-

A

A

A

K

K

I

F

L

L

P

M

L

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R

R

-

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-

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-

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-

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-

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-

N

-

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-

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-

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-

R

-

R

-

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N

-

D

-

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-

I

-

M

-

A

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-

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-

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A

N

N

I

I

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R

A

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I

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N

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K

Y

L

V

M

-

N

-

G

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-

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-

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-

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-

I

-

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-

G

-

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-

K

Y

L

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S

V

V

V

F

D

D

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A

N

-

F

-

A

A

K

M

R

R

A

Y

K

K

E

S

K

S

G

G

-

E

G

D

G

T

F

I

I

I

V

L

G

A

G

G

E

A

N

E

Y

Y

G

G

Q

S

G

G

S

S

S

S

R

R

E

D

H

W

A

A

A

A

I

K

G

G

P

P

M

M

Y

L

L

Q

G

G

I

V

K

K

A

A

V

V

I

I

A

A

K

K

S

S

Y

F

A

E

R

R

I

I

H

H

R

R

A

S

N

N

L

L

I

V

N

G

F

M

G

G

I

I

L

I

P

P

L

L

I

C

F

F

V

K

N

S

P

G

E

E

D

D

Y

A

D

D

K

T

I

L

-

G

-

L

-

T

-

G

-

H

D

E

Q

R

G

Y

D

T

I

I

-

H

L

L

E

P

I

T

D

D

T

I

S

S

N

E

F

I

A

R

P

P

G

G

E

Q

D

D

N

V

I

T

I

V

T

T

V

T

I

D

N

N

R

-

T

G

K

K

G

S

I

F

S

T

I

C

P

T

T

V

K

R

H

F

G

D

L

-

N

T

E

E

R

V

Q

E

V

L

K

A

I

Y

I

F

K

N

A

H

G

G

G

G

V

I

L

L

K

P

Y

Y

V

V

Sites not aligning to the query:

91 modified: Phosphoserine

O14289 3-isopropylmalate dehydratase; Alpha-IPM isomerase; IPMI; Isopropylmalate isomerase; EC 4.2.1.33 from Schizosaccharomyces pombe (strain 972 / ATCC 24843) (Fission yeast) (see paper)
27% identity, 88% coverage: 5:575/650 of query aligns to 11:655/758 of O14289

query
sites
O14289

I

L

V

Y

Q

D

K

K

I

V

I

W

K

D

T

S

H

H

L

V

V

V

E

D

G

-

E

-

M

L

V

Q

A

E

G

D

K

G

P

T

I

C

A

L

I

L

K

Y

I

I

D

D

Q

R

T

H

L

L

T

I

Q

H

D

E

A

V

T

T

G

S

T

P

M

Q

A

A

Y

F

L

E

H

G

F

L

E

R

S

T

M

A

G

G

L

R

P

K

K

V

V

R

Q

H

T

P

E

E

L

L

S

A

V

L

S

A

Y

T

V

V

D

D

H

H

N

N

T

I

I

P

Q

T

-

D

-

P

-

R

-

K

-

D

-

M

-

K

-

D

-

I

-

A

-

S

-

F

A

I

G

H

G

Q

P

P

E

D

N

S

A

R

N

T

D

Q

H

V

L

L

F

A

L

L

Q

E

T

N

V

N

A

I

A

K

K

E

Y

F

G

G

V

L

Y

T

F

Y

-

Y

-

G

-

M

S

N

K

D

A

R

G

R

N

Q

G

G

I

I

C

V

H

H

Q

V

I

I

H

G

L

P

E

E

R

Q

-

G

F

F

A

T

I

L

P

P

G

G

K

T

T

T

L

L

L

V

G

C

S

G

D

D

S

S

H

H

T

T

P

S

T

T

A

H

G

G

G

A

I

F

G

G

S

A

L

L

A

A

I

F

G

G

A

I

G

G

G

T

M

S

D

E

I

V

A

E

L

H

A

V

M

L

A

A

G

T

E

Q

P

T

F

I

Y

L

L

Q

N

R

M

K

P

S

K

K

V

N

V

M

R

R

V

I

N

R

L

V

Y

N

G

G

K

K

L

L

R

P

P

E

F

G

V

I

S

A

A

S

K

K

D

D

V

L

I

I

L

L

E

H

L

I

L

I

R

G

R

V

L

I

S

G

V

T

K

A

G

G

G

G

V

T

G

G

K

S

V

V

F

I

E

E

Y

F

G

C

G

G

E

E

G

A

V

I

K

E

Y

G

L

L

T

S

V

M

P

E

E

A

R

R

A

M

T

S

I

M

T

C

N

N

M

M

G

S

A

I

E

E

L

A

G

G

A

A

T

R

S

A

S

G

I

M

F

I

P

A

S

P

D

D

E

A

Q

T

T

T

Y

F

I

E

F

Y

M

V

K

K

-

N

-

R

-

P

-

L

-

A

A

P

Q

K

G

G

R

D

E

D

-

W

-

E

-

Q

-

A

-

V

A

A

Q

Y

W

W

R

K

R

T

L

L

E

R

A

S

D

D

P

E

D

N

A

A

E

K

Y

Y

D

D

E

I

V

E

I

V

D

E

I

I

D

N

L

A

S

A

E

D

L

V

E

L

P

P

L

T

I

V

A

T

C

W

-

G

-

T

-

S

-

P

-

Q

-

D

-

V

-

I

-

P

-

I

-

N

-

G

-

N

-

I

-

P

-

D

-

P

P

A

H

H

M

V

P

K

D

D

E

N

V

V

K

R

K

A

V

A

K

S

-

I

-

Q

-

R

-

S

-

L

E

E

L

Y

E

M

G

G

M

L

K

K

-

P

-

N

-

T

-

S

-

I

-

V

-

S

-

Y

-

P

V

I

H

D

Q

K

V

V

A

F

I

I

G

G

S

S

C

C

T

T

N

N

S

S

S

R

Y

I

R

E

D

D

L

L

M

R

M

L

V

A

A

A

K

A

M

V

F

V

E

-

Q

K

A

G

K

R

K

K

T

V

V

A

H

A

P

N

M

V

V

K

S

D

A

A

A

M

I

I

S

V

P

P

G

G

S

S

K

G

Q

L

V

V

L

K

R

K

M

M

I

A

D

E

K

A

E

E

G

G

M

L

Y

D

D

Q

V

I

L

F

L

I

R

E

A

A

G

G

F

F

R

D

F

W

L

R

E

E

C

A

A

G

C

C

G

S

P

M

C

C

I

L

G

G

M

M

G

N

-

P

-

D

-

Q

F

L

S

K

P

P

P

Y

S

E

G

R

G

C

V

A

S

S

V

-

R

-

T

T

F

S

N

N

R

R

N

N

F

F

L

E

G

G

R

R

S

Q

G

G

T

A

K

K

D

-

A

G

Q

R

V

T

Y

H

L

L

A

V

S

S

P

P

E

A

T

M

A

A

A

A

A

A

I

A

A

A

M

I

T

K

G

G

E

H

M

L

K

C

D

N

P

V

R

R

D

E

L

F

-

F

-

G

-

D

-

V

-

S

-

N

G

G

L
x
S

E

P

E
x
S

I

I

-

I

-

T

-

N

K

K

I

N

F

Y

L

D

P

P

E

S

K

H

-

D

-

V

-

E

-

G

-

D

-

I

-

G

F

L

E

S

I

V

D

D

D

D

S

A

M

T

I

D

F

A

A

V

P

T

A

D

A

A

D

D

P

G

D

I

E

A

V

T

E

N

V

V

W

A

K

G

G

S

P

V

T

S

I

S

N

G

Y

S

I

A

G

G

Y

I

K

-

E

-

P

P

L

K

G

F

D

T

K

V

L

V

E

E

G

G

E

I

V

A

L

A

L

P

K

L

V

P

G

M

D

A

N

N

I

V

T

D

T

T

D

D

H

K

I

I

I

I

P

P

G

K

G

Q

A

F

K

L

I

K

L

T

P

I

L

K

R

R

S

T

N

G

I

L

P

G

-

Q

-

F

A

A

I

F

S

Y

E

E

Y

I

V

R

Y

Y

S

D

V

A

-

D

-

G

-

K

-

E

V

I

D

P

E

D

N

F

F

V

A

L

K

N

R

R

A

E

K

P

E

Y

K

R

G

H

G

A

G

T

F

V

I

L

V

V

G

A

G

H

E

D

N

N

Y

F

G

G

Q

C

G

G

S

S

S

S

R

R

E

E

H

H

A

A

A

P

I

W

G

A

P

L

M

N

Y

D

L

F

G

G

I

I

K

R

A

V

V

I

I

I

A

A

K

P

S

S

Y

F

A

A

R

D

I

I

H

F

R

F

A

N

N

N

L

C

I

F

N

K

F

N

G

G

I

M

L

L

P

P

L

I

S486 (≠ L420) modified: Phosphoserine
S488 (≠ E422) modified: Phosphoserine

3snpA Crystal structure analysis of iron regulatory protein 1 in complex with ferritin h ire RNA (see paper)
29% identity, 75% coverage: 97:586/650 of query aligns to 154:788/850 of 3snpA

query
sites
3snpA

G

G

N

S

G

G

I

I

C

I

H

H

Q

Q

I

V

H

N

L

L

E

E

R

Y

F

L

A

A

-

R

-

V

-

V

-

F

-

D

-

Q

-

D

-

G

-

Y

I

Y

P

Y

G

P

K

D

T

S

L

L

L

V

G

G

S

T

D
|
D

S

S

H
|
H

T

T

P

T

T

M

A

I

G

D

G

G

I

L

G

G

S

V

L

L

A

G

I

W

G

G

A

V

G

G

G

G

M

I

D

E

I

A

A

E

L

A

A

V

M

M

A

L

G

G

E

Q

P

P

F

I

Y

S

L

M

N

V

M

L

P

P

K

Q

V

V

V

I

R

G

V

Y

N

R

L

L

Y

M

G

G

K

K

L

P

R

H

P

P

F

L

V

V

S

T

A

S

K

T

D

D

V

I

I

V

L
|
L

E

T

L

I

L

T

R

K

R

H

L

L

S
x
R

V

Q

K

V

G

G

G

V

V

V

G

G

K

K

V

F

F

V

E

E

Y

F

G

F

G

G

E

P

G

G

V

V

K

A

Y

Q

L

L

T

S

V

I

P

A

E

D

R

R

A

A

T

T

I

I

T

A

N
|
N

M

M

G

C

A

P

E
|
E

L

Y

G

G

A

A

T

T

S

A

S

T

I

F

F

F

P

P

S

V

D

D

E

E

Q

V

T

S

Y

I

I

K

F

Y

M

L

K

V

A

Q

Q

T

G

G

R

R

E

D

-

E

-

S

-

K

-

V

A

K

Q

Q

W

I

R

R

-

K

-

Y

-

L

-

Q

-

A

-

V

-

G

-

M

-

F

R

R

L

D

E

Y

A

S

D

D

P

P

-

S

-

Q

D

D

A

P

E

D

Y

F

D

T

E

Q

V

V

I

V

D

E

I

L

D

D

L

L

S

K

E

T

L

V

E

V

P

P

L

C

I

C

A
x
S

C

G

P

P

H

K

M

R

P
|
P

D

Q

E

D

V
x
K

K

V

K

A

V

V

K

S

E

D

L

M

-

K

-

K

-

D

-

F

-

E

-

S

-

C

-

L

-

G

-

A

-

K

E

Q

G

G

M

F

K

K

V

G

H

F

Q

Q

V

V

-

A

-

P

-

D

-

H

-

H

-

N

-

D

-

H

-

K

-

T

-

F

-

I

-

Y

-

N

-

D

-

S

-

E

-

F

-

T

-

L

-

S

-

H

-

G

-

S

-

V

-

V

-

I

-

A

A

A

I

I

G

T

S

S

C

S

T
|
T

N
|
N

S
x
T

S

S

Y

N

R

P

D

S

L

V

M

M

-

L

-

G

-

A

-

G

M

L

V

L

A

A

K

K

M

K

F

A

E

V

Q

D

A

A

K

G

K

L

T

N

V

V

H

K

P

P

M

Y

V

V

S

K

A

T

A

S

I

L

S

S

P

P

G

G

S

S

K

G

Q

V

V

V

L

T

R

Y

M

Y

I

L

D

R

K

E

E

S

G

G

M

V

Y

M

D

P

V

Y

L

L

L

S

R

Q

A

L

G

G

F

F

R

D

F

V

L

V

E

P

C

L

A

P

C

-

G

E

P

P

C

V

I

V

G

E

M

A

G

I

F

T

S

Q

P

G

P

D

S

L

G

V

G

A

V

V

S

G

V

V

R

L

T

S

F

G

N
|
N

R
|
R

N

N

F

F

L

E

G

G

R

R

S

V

G

H

T

P

K

N

D

T

A

R

Q

A

V

N

Y

Y

L
|
L

A

A

S

S

P

P

E

P

T

L

A

V

A

I

A

A

I

Y

A

A

M

I

T

A

G

G

E

T

M

I

-

R

-

I

-

D

-

F

-

E

K

K

D

E

P

P

R

L

D

G

L

T

G

N

L

A

E

K

E

G

I

Q

K

Q

I

V

F

F

L

L

-

R

-

D

-

I

-

W

P

P

E

T

K

R

F

E

E

E

I

I

D

Q

-

A

-

V

D

E

S

R

M

Q

I

Y

F

V

A

I

P

P

A

G

A

M

D

F

P

T

D

E

-

V

-

Y

-

Q

E

K

V

I

E

E

V

T

-

V

-

N

-

A

-

S

W

W

K

K

-

L

-

Y

-

L

-

W

G

N

P

P

T

K

I

S

N

T

Y

Y

I

I

G

K

Y

S

K

P

-

P

-

F

-

F

-

E

-

N

-

L

-

T

-

L

-

D

-

L

E

Q

P

P

L

P

G

K

D

S

K

I

L

V

E

D

G

A

E

Y

V

V

L

L

L

L

K

N

V

L

G

G

D

D

N

S

I

V

T

T

T

T

D

D

H

H

I

I

I
x
S

P
|
P

G
x
A

G
|
G

-
x
N

-

I

-

A

-
x
R

-

N

-

S

-

P

-

A

A

A

K

R

I

Y

L

L

P

T

L

N

R

R

-

G

-

L

-

T

-

P

-
x
R

-

E

-

F

-

N

-
x
S

-

Y

-
x
G

-

S

-

R

-
x
R

-

G

-

N

-

D

-

A

-

I

-

M

-

A

-

R

-

G

-

T

-

F

S

A

N

N

I

I

P

R

A

L

I

L

S

N

E

R

Y

F

V

L

Y

N

S

K

V

Q

V

A

D

P

E

Q

N

T

F

I

-

H

-

L

-

P

-

S

-

G

-

E

-

T

-

L

-

D

-

V

-

F

-

D

-

A

A

A

K

E

R

R

A

Y

K

Q

E

Q

K

E

G

G

G

H

G

P

F

L

I

I

V

V

-

L

G

A

G

G

E

K

N

E

Y

Y

G

G

Q

S

G

G

S
|
S

S

S

R
|
R

E

D

H

W

A

A

A

A

I

K

G

G

P

P

M

F

Y

L

L

L

G

G

I

I

K

K

A

A

V

V

I

L

A

A

K

E

S

S

Y

Y

A

E

R

R

I

I

H

H

R

R

A

S

N

N

L

L

I

V

N

G

F

M

G

G

I

V

L

I

P

P

L

L

I

E

F

Y

V

L

N

P

P

G

E

E

D

N

Y

A

D

D

K

S

I

L

active site: D186 (= D120), R505 (= R382), S739 (= S537), R741 (= R539)
binding : H188 (= H122), L243 (= L177), R250 (≠ S184), N279 (= N213), E283 (= E217), S352 (≠ A271), P357 (= P276), K360 (≠ V279), T419 (= T299), N420 (= N300), T421 (≠ S301), N504 (= N381), R505 (= R382), L520 (= L397), S642 (≠ I487), P643 (= P488), A644 (≠ G489), G645 (= G490), N646 (vs. gap), R649 (vs. gap), R665 (vs. gap), S669 (vs. gap), G671 (vs. gap), R674 (vs. gap), R741 (= R539)

Sites not aligning to the query:

active site: 124, 125
binding : 125, 126

P09339 Aconitate hydratase A; ACN; Aconitase; Aconitate/2-methylaconitate hydratase; Iron-responsive protein-like; IRP-like; RNA-binding protein; EC 4.2.1.3; EC 4.2.1.- from Bacillus subtilis (strain 168) (see 2 papers)
29% identity, 72% coverage: 25:491/650 of query aligns to 86:698/909 of P09339

query
sites
P09339

I

V

A

P

I

F

K

K

I

P

D

S

Q

R

T

V

L

I

T

L

Q

Q

D

D

A

F

T

T

G

G

T

V

M

P

A

A

Y

V

L

V

H

D

F

L

E

A

S

S

M

L

-

R

-

K

-

A

-

M

-

A

-

A

-

V

-

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A

C450 (= C298) mutation to S: Loss of aconitase activity. It is glutamate auxotroph and accumulates citrate. Exhibits overexpression of the citB promoter and accumulates high levels of inactive aconitase.

Sites not aligning to the query:

1 modified: Initiator methionine, Removed
741 R→E: Same aconitase activity compared to the wild-type. It is glutamate prototroph and accumulates citrate. Exhibits overexpression of the citB promoter and accumulates high levels of active aconitase.

Query Sequence

>WP_089322123.1 NCBI__GCF_900188395.1:WP_089322123.1
MGLNIVQKIIKTHLVEGEMVAGKPIAIKIDQTLTQDATGTMAYLHFESMGLPKVQTELSV
SYVDHNTIQAGGPENANDHLFLQTVAAKYGVYFSKAGNGICHQIHLERFAIPGKTLLGSD
SHTPTAGGIGSLAIGAGGMDIALAMAGEPFYLNMPKVVRVNLYGKLRPFVSAKDVILELL
RRLSVKGGVGKVFEYGGEGVKYLTVPERATITNMGAELGATSSIFPSDEQTYIFMKAQGR
EAQWRRLEADPDAEYDEVIDIDLSELEPLIACPHMPDEVKKVKELEGMKVHQVAIGSCTN
SSYRDLMMVAKMFEQAKKTVHPMVSAAISPGSKQVLRMIDKEGMYDVLLRAGFRFLECAC
GPCIGMGFSPPSGGVSVRTFNRNFLGRSGTKDAQVYLASPETAAAIAMTGEMKDPRDLGL
EEIKIFLPEKFEIDDSMIFAPAADPDEVEVWKGPTINYIGYKEPLGDKLEGEVLLKVGDN
ITTDHIIPGGAKILPLRSNIPAISEYVYSVVDENFAKRAKEKGGGFIVGGENYGQGSSRE
HAAIGPMYLGIKAVIAKSYARIHRANLINFGILPLIFVNPEDYDKIDQGDILEIDTSNFA
PGEDNIITVINRTKGISIPTKHGLNERQVKIIKAGGVLKYVKDKFEGKIQ

Or try a new SitesBLAST search

SitesBLAST's Database

SitesBLAST's database includes (1) SwissProt entries with experimentally-supported functional features; and (2) protein structures with bound ligands, from the BioLip database.

by Morgan Price, Arkin group
Lawrence Berkeley National Laboratory