SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_013012055.1 NCBI__GCF_000025725.1:WP_013012055.1 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)

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)
53% identity, 99% coverage: 3:459/463 of query aligns to 9:479/758 of O14289

query
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O14289

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Sites not aligning to the query:

486 modified: Phosphoserine
488 modified: Phosphoserine

4kp1A Crystal structure of ipm isomerase large subunit from methanococcus jannaschii (mj0499) (see paper)
35% identity, 99% coverage: 2:458/463 of query aligns to 1:423/423 of 4kp1A

query
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4kp1A

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active site: D64 (= D62), H65 (= H63), D121 (= D128), R387 (= R422)
binding 2,4-dimethylpentane-2,4-diol: F299 (= F335), S302 (= S338), S383 (= S418), F389 (= F424)
binding magnesium ion: C303 (= C339), T304 (= T340), R387 (= R422)

4nqyA The reduced form of mj0499 (see paper)
36% identity, 93% coverage: 27:457/463 of query aligns to 27:409/409 of 4nqyA

query
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E

I

K

F

F

T

L

E

K

A

Y

G

G

F

C

E

V

W

V

R

T

E

N

P

P

G

S

C
|
C

S

S

M

A

C
|
C

L

M

A

G

M

S

N

L

P

Y

D

G

K

V

L

L

V

G

G

P

R

G

E

E

I

V

S

C

A

V

S

S

T

T

S

S

N

N

R
|
R

N

N

F

F

K

R

G

G

R

R

Q

Q

G

G

S

S

S

L

T

E

G

A

R

E

T

I

L

Y

L

L

L

A

S

S

P

P

V

I

M

T

A

A

V

A

A

A

A

C

A

A

V

V

T

K

G

G

E

E

I

L

S

V

D

D

C

P

R

R

E

D

active site: D63 (= D62), D108 (= D128), R374 (= R422)
binding zinc ion: C351 (= C399), C354 (= C402)

P39533 Homocitrate dehydratase, mitochondrial; Aconitase 2; EC 4.2.1.- from Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast) (see paper)
26% identity, 84% coverage: 62:451/463 of query aligns to 124:506/789 of P39533

query
sites
P39533

D

D

H

H

I

L

I

I

P

V

T

G

D

K

D

D

-

G

-

E

-

T

R

K

S

D

R

L

P

P

Y

S

A

S

D

I

P

A

L

T

A

N

E

Q

E

E

M

V

M

F

Q

D

A

F

I

L

E

E

K

S

N

C

T

A

K

K

E

R

N

Y

G

G

I

I

T

Q

F

F

F

W

S

G

P

P

E

G

T

S

E

-

K

-

Q

-

G

G

V

I

H

H

I

Q

V

I

G

V

P

L

E

E

Q

N

G

-

L

F

T

S

Q

A

P

P

G

G

T

L

T

M

V

M

A

L

C

G

G

T

D

D

S

S

H

H

T

T

A

P

T

N

H

A

G

G

A

G

F

L

G

G

A

A

V

I

A

A

F

I

G

G

I

V

G

G

T

G

S

A

Q

D

V

A

R

V

D

D

V

A

L

L

A

T

T

G

Q

T

T

P

M

W

S

E

I

L

A

K

P

A

F

P

K

K

V

I

K

L

R

G

V

V

E

K

V

L

N

T

G

G

K

K

L

L

K

N

P

G

G

W

V

S

Y

T

A

P

K

K

D

D

V

V

I

I

L

T

Y

K

I

L

I

A

S

G

K

L

L

L

G

T

V

V

S

R

G

G

V

T

G

G

Y

Y

A

I

Y

V

E

E

F

Y

A

F

G

G

D

E

V

G

I

V

D

S

N

T

M

L

S

S

M

C

E

T

G

G

R

M

M

A

T

T

V

I

C

C

N

N

M

M

A

G

I

A

E

E

G

I

G

G

A

A

R

T

V

T

G

S

Y

T

I

F

N

P

P

Y

D

Q

E

E

T

A

T

H

F

K

E

R

Y

Y

I

L

K

Q

G

A

-

T

K

N

P

R

Y

A

A

E

P

V

K

A

D

E

N

A

W

A

D

D

E

V

M

A

V

L

E

N

Y

K

W

F

K

N

S

F

V

L

A

R

S

A

D

D

A

K

D

D

A

A

D

Q

Y

Y

D

D

D

K

I

V

V

I

K

E

F

I

D

D

G

L

A

S

D

A

I

I

E

E

P

P

M

H

I

V

T

N

W

G

G

P

I

F

N

T

P

P

E

D

Q

L

T

S

I

T

K

P

I

I

T

S

E

Q

K

-

I

-

P

-

S

-

P

-

K

-

N

-

D

-

V

-

M

-

Q

-

E

-

A

-

L

-

D

-

Y

-

T

-

G

-

F

Y

A

A

G

E

G

K

E

S

M

L

M

K

K

E

G

N

-

W

-

P

K

Q

K

K

V

V

D

S

V

A

V

G

F

L

I

I

G

G

S

S

C

C

T

T

N

N

G

S

R

S

I

Y

E

Q

D

D

F

M

R

S

E

R

A

V

K

D

Y

L

V

V

K

K

G

-

H

Q

N

A

V

S

A

K

A

A

G

G

V

L

R

K

A

P

-

R

-

I

-

P

-

F

L

F

A

V

V

T

P

P

G

G

S

S

F

E

G

Q

V

I

R

R

D

A

Q

T

A

L

V

E

A

R

E

D

G

G

L

I

D

I

K

D

I

I

F

F

T

Q

E

E

A

N

G

G

F

A

E

K

W

V

R

L

E

A

P

N

G

A

C

C

S

G

M

P

C

C

L

I

A

G

M

Q

N

W

P

N

D

R

K

E

L

D

V

V

G

S

R

K

E

T

I

S

S

K

A

E

S

T

T

N

S

T

-

I

-

F

-

T

-

S

-

F

N

N

R

R

N

N

F

F

K

R

G

A

R

R

Q

N

-

D

G

G

S

N

S

R

T

N

G

T

R

M

T

N

L

F

L

L

L

T

S

S

P

P

V

E

M

I

A

V

V

T

A

A

A

M

A

S

V

Y

T

S

G

G

E

D

Sites not aligning to the query:

610 K→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)
26% identity, 84% coverage: 62:452/463 of query aligns to 123:502/778 of P19414

query
sites
P19414

D

D

H

H

I

L

I

I

P

Q

T

A

D

Q

-

V

-

G

D

E

R

K

S

D

R

L

P

K

Y

R

A

A

D

I

P

D

L

L

A

N

E

K

E

E

M

V

M

Y

Q

D

A

F

I

L

E

A

K

S

N

A

T

T

K

A

E

K

N

Y

G

N

I

M

T

G

F

F

F

W

S

K

P

P

E

G

T

S

E

-

K

-

Q

-

G

G

V

I

H

H

I

Q

V

I

G

V

P

L

E

E

Q

N

G

-

L

Y

T

A

Q

F

P

P

G

G

T

A

T

L

V

I

A

I

C

G

G

T

D

D

S

S

H

H

T

T

A

P

T

N

H

A

G

G

A

G

F

L

G

G

A

Q

V

L

A

A

F

I

G

G

I

V

G

G

T

G

S

A

Q

D

V

A

R

V

D

D

V

V

L

M

A

A

T

G

Q

R

T

P

M

W

S

E

I

L

A

K

P

A

F

P

K

K

V

I

K

L

R

G

V

V

E

K

V

L

N

T

G

G

K

K

L

M

K

N

P

G

G

W

V

T

Y

S

A

P

K

K

D

D

V

I

I

I

L

L

Y

K

I

L

I

A

S

G

K

I

L

T

G

T

V

V

S

K

G

G

V

T

G

G

Y

K

A

I

Y

V

E

E

F

Y

A

F

G

G

D

D

V

G

I

V

D

D

N

T

M

F

S

S

M

A

E

T

G

G

R

M

M

G

T

T

V

I

C

C

N

N

M

M

A

G

I

A

E

E

G

I

G

G

A

A

R

T

V

T

G

S

Y

V

I

F

N

P

P

F

D

N

E

K

T

S

T

M

F

I

E

E

Y

Y

I

L

K

E

G

A

K

T

P

G

Y

R

A

G

P

K

K

I

D

A

N

D

W

F

D

A

E

K

M

L

V

-

E

-

Y

Y

W

H

K

K

S

D

V

L

A

L

S

S

-

A

D

D

A

K

D

D

A

A

D

E

Y

Y

D

D

D

E

I

V

V

V

K

E

F

I

D

D

G

L

A

N

D

T

I

L

E

E

P

P

M

Y

I

I

T

N

W

G

G

P

I

F

N

T

P

P

E

D

Q

L

T

A

I

T

K

P

I

V

T

S

E

K

K

-

I

-

P

-

S

-

P

-

K

-

N

-

D

-

V

-

M

M

Q

K

E

E

A

V

L

A

D

V

Y

A

T

N

G

N

F

W

A

P

G

-

E

-

M

-

K

-

G

-

K

L

K

D

V

V

D

R

V

V

V

G

F

L

I

I

G

G

S

S

C

C

T

T

N

N

G

S

R

S

I

Y

E

E

D

D

F

M

R

S

E

R

A

S

A

A

K

S

Y

I

V

V

K

K

-

D

-

A

G

A

H

H

N

G

V

L

A

K

A

S

G

K

V

T

R

I

A

F

L

T

A

V

V

T

P

P

G

G

S

S

F

E

G

Q

V

I

R

R

D

A

Q

T

A

I

V

E

A

R

E

D

G

G

L

Q

D

L

K

E

I

T

F

F

T

K

E

E

A

F

G

G

F

G

E

I

W

V

R

L

E

A

P

N

G

A

C

C

S

G

M

P

C

C

L

I

A

G

M

Q

N

W

P

D

D

R

K

R

L

D

V

I

-

K

-

G

G

D

R

K

E

N

I

T

S

I

A

V

S

S

T

S

S

Y

N

N

R

R

N

N

F

F

K

T

G

S

R

R

Q

N

-

D

G

G

S

N

S

P

T

Q

G

T

R

H

T

A

L

F

L

V

L

A

S

S

P

P

V

E

M

L

A

V

V

T

A

A

A

F

A

A

V

I

T

A

G

G

E

D

I

L

Sites not aligning to the query:

1:16 modified: transit peptide, Mitochondrion
604 R→K: Strongly diminishes the catalytic activity towards both known substrates, aconitate and homoaconitate.

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)
26% identity, 77% coverage: 105:462/463 of query aligns to 270:672/990 of Q9SIB9

query
sites
Q9SIB9

Q

S

G

G

V

I

V

V

H

H

I

Q

V

V

G

N

P

L

E

E

-

Y

-

L

-

G

-

R

-

V

-

F

-

N

-

T

Q

K

G

G

L

L

T

L

Q

Y

P

P

G

D

T

S

T

V

V

V

A

G

C

T

G

-

D

D

S

S

H

H

T

T

A

T

T

M

H

I

G

D

A

G

F

L

G

G

A

V

V

A

A

G

F

W

G

G

I

V

G

G

T

G

S

I

Q

E

V

A

R

E

D

A

V

T

L

M

A

L

T

G

Q

Q

T

P

M

M

S

S

I

M

A

V

P

L

F

P

K

G

V

V

K

V

R

G

V

F

E

K

V

L

N

A

G

G

K

K

L

M

K

R

P

N

G

G

V

V

Y

T

A

A

K

T

D

D

V

L

I

V

L

L

Y

T

I

V

I

T

S

Q

K

M

L

L

G

R

V

K

S

H

G

G

G

V

V

V

G

G

Y

K

A

F

Y

V

E

E

F

F

A

Y

G

G

D

N

V

G

I

M

D

S

N

G

M

L

S

S

M

L

E

A

G

D

R

R

M

A

T

T

V

I

C

A

N

N

M

M

A

S

I

P

E

E

G

Y

G

G

A

A

R

T

V

M

G

G

Y

F

I

F

N

P

P

V

D

D

E

H

T

V

T

T

F

L

E

Q

Y

Y

I

L

K

K

G

L

K

T

P

-

Y

-

A

G

P

R

K

S

D

D

N

E

W

T

D

V

E

A

M

M

V

I

E

E

Y

A

W

Y

K

L

S

R

V

A

A

N

S

N

-

M

-

F

-

V

-

D

-

Y

-

N

-

E

-

P

D

Q

A

Q

D

D

A

R

D

V

Y

Y

D

S

I

Y

V

L

K

E

F

L

D

N

G

L

A

D

D

D

I

V

E

E

P

P

M

C

I

I

T

S

W

G

G

P

I

K

N

R

P

P

E

H

Q

D

T

R

I

V

K

T

I

L

T

K

E

E

K

-

I

M

P

K

S

A

P

D

K

W

N

H

D

S

V

C

M

L

Q

D

E

S

A

K

L

V

D

G

Y

F

T

K

G

G

F

F

A

A

G

I

G

P

E

K

M

E

M

A

K

Q

G

E

K

K

K

V

V

V

D

N

V

F

V

S

F

F

-

D

-

G

-

Q

-

P

-

A

-

E

-

L

-

K

-

H

-

G

-

S

-

V

-

I

-

A

I

I

G

T

S

S

C

C

T

T

N

N

G

T

R

S

I

N

E

P

D

S

F

V

R

M

E

L

A

G

A

A

K

G

Y

L

V

V

K

A

-

K

-

A

-

C

-

D

-

L

G

G

H

L

N

Q

V

V

A

K

A

P

G

W

V

I

R

K

A

T

L

S

A

L

V

A

P

P

G

G

S

S

F

G

G

V

V

V

R

T

D

K

Q

Y

A

L

V

L

A

K

E

S

G

G

L

L

D

Q

K

E

I

Y

F

L

T

N

E

E

A

Q

G

G

F

F

E

N

W

I

R

V

E

G

P

Y

G

G

C

C

S

T

M

T

C

C

L

I

A

G

M

N

N

S

P

G

-

E

-

I

D

N

K

E

L

S

V

V

G

G

R

A

E

A

I

I

S

T

A

E

S

N

-

D

-

I

-

V

-

A

-

V

-

L

T

S

S

G

N

N

R

R

N

N

F

F

K

E

G

G

R

R

Q

V

G

H

S

P

S

L

T

T

G

R

R

A

T

N

L

Y

L

L

L

A

S

S

P

P

V

P

M

L

A

V

V

V

A

A

A

Y

A

A

V

L

T

A

G

G

E

T

I

V

S

N

D

I

C

D

R

F

E

E

V

T

F

E

E

P

I

I

G

G

Sites not aligning to the query:

91 modified: Phosphoserine

P20004 Aconitate hydratase, mitochondrial; Aconitase; Citrate hydro-lyase; EC 4.2.1.3 from Bos taurus (Bovine) (see 2 papers)
25% identity, 87% coverage: 50:452/463 of query aligns to 117:505/780 of P20004

query
sites
P20004

K

K

V

V

A

A

F

V

P

P

E

S

R

T

T

I

F

H

A

C

T

-

V

-

D

D

H

H

I

L

I

I

P

E

T

A

D

Q

-

L

-

G

D

E

R

K

S

D

R

L

P

R

Y

R

A

A

D

K

P

D

L

I

A

N

E

Q

E

E

M

V

M

Y

Q

N

A

F

I

L

E

A

K

T

N

A

T

G

K

A

E

K

N

Y

G

G

I

V

T

G

F

F

F

W

S

R

P

P

E

G

T

S

E

-

K

-

Q

-

G

G

V

I

H

H

I

Q

V

I

G

I

P

L

E

E

Q

N

G

-

L

Y

T

A

Q

Y

P

P

G

G

T

V

T

L

V

L

A

I

C

G

G

T

D
|
D

S
|
S

H
|
H

T

T

A

P

T

N

H

G

G

G

A

G

F

L

G

G

A

G

V

I

A

C

F

I

G

G

I

V

G

G

T

G

S

A

Q

D

V

A

R

V

D

D

V

V

L

M

A

A

T

G

Q

I

T

P

M

W

S

E

I

L

A

K

P

C

F

P

K

K

V

V

K

I

R

G

V

V

E

K

V

L

N

T

G

G

K

S

L

L

K

S

P

G

G

W

V

T

Y

S

A

P

K

K

D

D

V

V

I

I

L

L

Y

K

I

V

I

A

S

G

K

I

L

L

G

T

V

V

S

K

G

G

V

T

G

G

Y

A

A

I

Y

V

E

E

F

Y

A

H

G

G

D

P

V

G

I

V

D

D

N

S

M

I

S

S

M

C

E

T

G

G

R

M

M

A

T

T

V

I

C

C

N

N

M

M

A

G

I

A

E

E

G

I

G

G

A

A

R

T

V

T

G

S

Y

V

I

F

N

P

P

Y

D

N

E

H

T

R

T

M

F

K

E

K

Y

Y

I

L

K

S

G

K

K

T

P

G

Y

R

A

A

P

D

K

I

D

A

N

N

W

L

D

A

E

D

M

-

V

-

E

E

Y

F

W

K

K

D

S

H

V

L

A

V

S

P

D

D

A

S

D

G

A

C

D

H

Y

Y

D

D

D

Q

I

L

V

I

K

E

F

I

D

N

G

L

A

S

D

E

I

L

E

K

P

P

M

H

I

I

T

N

W

G

G

P

I

F

N

T

P

P

E

D

Q

L

T

A

I

H

K

P

I

V

T

A

E

E

K

-

I

-

P

-

S

-

P

-

K

-

N

-

D

-

V

-

M

-

Q

-

E

-

A

-

L

-

D

-

Y

-

T

V

G

G

F

S

A

V

G

A

G

E

E

K

M

E

M

G

K

W

G

P

K

L

K

D

V

I

D

R

V

V

V

G

F

L

I

I

G

G

S

S

C
|
C

T

T

N

N

G

S

R

S

I

Y

E

E

D

D

F

M

R

G

E

R

A

S

A

A

K

A

Y

V

V

A

K

K

-

Q

-

A

-

L

G

A

H

H

N

G

V

L

A

Q

A

C

G

K

V

S

R

Q

A

F

L

T

A

I

V

T

P

P

G

G

S

S

F

E

G

Q

V

I

R

R

D

A

Q

T

A

I

V

E

A

R

E

D

G

G

L

Y

D

A

K

Q

I

I

F

L

T

R

E

D

A

V

G

G

F

G

E

I

W

V

R

L

E

A

P

N

G

A

C
|
C

S

G

M

P

C
|
C

L

I

A

G

M

Q

-

W

-

D

N

R

P

K

D

D

K

I

L

K

V

K

G

G

R

E

E

K

I

N

S

T

A

I

S

V

T

T

S

S

-

Y

N

N

R
|
R

N

N

F

F

K

T

G

G

R
|
R

Q

N

G

D

S

A

S

N

-

P

T

E

G

T

R

H

T

A

L

F

L

V

L

T

S

S

P

P

V

E

M

I

A

V

V

T

A

A

A

L

A

A

V

I

T

A

G

G

E

T

I

L

DSH 192:194 (= DSH 128:130) binding substrate
C385 (= C339) binding [4Fe-4S] cluster
C448 (= C399) binding [4Fe-4S] cluster
C451 (= C402) binding [4Fe-4S] cluster
R474 (= R422) binding substrate
R479 (= R427) binding substrate

Sites not aligning to the query:

99 binding substrate
607 binding substrate
670:671 binding substrate

8acnA Crystal structures of aconitase with isocitrate and nitroisocitrate bound (see paper)
25% identity, 87% coverage: 50:452/463 of query aligns to 89:477/753 of 8acnA

query
sites
8acnA

K

K

V

V

A

A

F

V

P

P

E

S

R

T

T

I

F

H

A

C

T

-

V

-

D
|
D

H
|
H

I

L

I

I

P

E

T

A

D

Q

-

L

-

G

D

E

R

K

S

D

R

L

P

R

Y

R

A

A

D

K

P

D

L

I

A

N

E

Q

E

E

M

V

M

Y

Q

N

A

F

I

L

E

A

K

T

N

A

T

G

K

A

E

K

N

Y

G

G

I

V

T

G

F

F

F

W

S

R

P

P

E

G

T

S

E

-

K

-

Q

-

G

G

V

I

H

H

I

Q

V

I

G

I

P

L

E

E

Q

N

G

-

L

Y

T

A

Q

Y

P

P

G

G

T

V

T

L

V

L

A

I

C

G

G

T

D
|
D

S
|
S

H
|
H

T

T

A

P

T

N

H

G

G

G

A

G

F

L

G

G

A

G

V

I

A

C

F

I

G

G

I

V

G

G

T

G

S

A

Q

D

V

A

R

V

D

D

V

V

L

M

A

A

T

G

Q

I

T

P

M

W

S

E

I

L

A

K

P

C

F

P

K

K

V

V

K

I

R

G

V

V

E

K

V

L

N

T

G

G

K

S

L

L

K

S

P

G

G

W

V

T

Y

S

A

P

K

K

D

D

V

V

I

I

L

L

Y

K

I

V

I

A

S

G

K

I

L

L

G

T

V

V

S

K

G

G

V

T

G

G

Y

A

A

I

Y

V

E

E

F

Y

A

H

G

G

D

P

V

G

I

V

D

D

N

S

M

I

S

S

M

C

E

T

G

G

R

M

M

A

T

T

V

I

C

C

N

N

M

M

A

G

I

A

E

E

G

I

G

G

A

A

R

T

V

T

G

S

Y

V

I

F

N

P

P

Y

D

N

E

H

T

R

T

M

F

K

E

K

Y

Y

I

L

K

S

G

K

K

T

P

G

Y

R

A

A

P

D

K

I

D

A

N

N

W

L

D

A

E

D

M

-

V

-

E

E

Y

F

W

K

K

D

S

H

V

L

A

V

S

P

D

D

A

S

D

G

A

C

D

H

Y

Y

D

D

D

Q

I

L

V

I

K

E

F

I

D

N

G

L

A

S

D

E

I

L

E

K

P

P

M

H

I

I

T

N

W

G

G

P

I

F

N

T

P

P

E

D

Q

L

T

A

I

H

K

P

I

V

T

A

E

E

K

-

I

-

P

-

S

-

P

-

K

-

N

-

D

-

V

-

M

-

Q

-

E

-

A

-

L

-

D

-

Y

-

T

V

G

G

F

S

A

V

G

A

G

E

E

K

M

E

M

G

K

W

G

P

K

L

K

D

V

I

D

R

V

V

V

G

F

L

I

I

G

G

S
|
S

C
|
C

T

T

N

N

G

S

R

S

I

Y

E

E

D

D

F

M

R

G

E

R

A

S

A

A

K

A

Y

V

V

A

K

K

-

Q

-

A

-

L

G

A

H

H

N

G

V

L

A

K

A

C

G

K

V

S

R

Q

A

F

L

T

A

I

V

T

P

P

G

G

S

S

F

E

G

Q

V

I

R

R

D

A

Q

T

A

I

V

E

A

R

E

D

G

G

L

Y

D

A

K

Q

I

V

F

L

T

R

E

D

A

V

G

G

F

G

E

I

W

V

R

L

E

A

P

N

G

A

C
|
C

S

G

M

P

C
|
C

L
x
I

A

G

M

Q

-

W

-

D

N

R

P

K

D

D

K

I

L

K

V

K

G

G

R

E

E

K

I

N

S

T

A

I

S

V

T

T

S

S

-

Y

N

N

R
|
R

N

N

F

F

K

T

G

G

R
|
R

Q

N

G

D

S

A

S

N

-

P

T

E

G

T

R

H

T

A

L

F

L

V

L

T

S

S

P

P

V

E

M

I

A

V

V

T

A

A

A

L

A

A

V

I

T

A

G

G

E

T

I

L

active site: D99 (= D62), H100 (= H63), D164 (= D128), R446 (= R422)
binding nitroisocitric acid: H100 (= H63), D164 (= D128), S165 (= S129), R446 (= R422), R451 (= R427)
binding iron/sulfur cluster: H100 (= H63), D164 (= D128), H166 (= H130), S356 (= S338), C357 (= C339), C420 (= C399), C423 (= C402), I424 (≠ L403)

Sites not aligning to the query:

active site: 641, 643
binding nitroisocitric acid: 71, 74, 579, 641, 642, 643

1fghA Complex with 4-hydroxy-trans-aconitate (see paper)
25% identity, 87% coverage: 50:452/463 of query aligns to 89:477/753 of 1fghA

query
sites
1fghA

K

K

V

V

A

A

F

V

P

P

E

S

R

T

T

I

F

H

A

C

T

-

V

-

D
|
D

H
|
H

I

L

I

I

P

E

T

A

D

Q

-

L

-

G

D

E

R

K

S

D

R

L

P

R

Y

R

A

A

D

K

P

D

L

I

A

N

E

Q

E

E

M

V

M

Y

Q

N

A

F

I

L

E

A

K

T

N

A

T

G

K

A

E

K

N

Y

G

G

I

V

T

G

F

F

F

W

S

R

P

P

E

G

T

S

E

-

K

-

Q

-

G

G

V

I

H

H

I

Q

V

I

G

I

P

L

E

E

Q

N

G

-

L

Y

T

A

Q

Y

P

P

G

G

T

V

T

L

V

L

A

I

C

G

G

T

D
|
D

S
|
S

H
|
H

T

T

A

P

T

N

H

G

G

G

A

G

F

L

G

G

A

G

V

I

A

C

F

I

G

G

I

V

G

G

T

G

S

A

Q

D

V

A

R

V

D

D

V

V

L

M

A

A

T

G

Q

I

T

P

M

W

S

E

I

L

A

K

P

C

F

P

K

K

V

V

K

I

R

G

V

V

E

K

V

L

N

T

G

G

K

S

L

L

K

S

P

G

G

W

V

T

Y

S

A

P

K

K

D

D

V

V

I

I

L

L

Y

K

I

V

I

A

S

G

K

I

L

L

G

T

V

V

S

K

G

G

V

T

G

G

Y

A

A

I

Y

V

E

E

F

Y

A

H

G

G

D

P

V

G

I

V

D

D

N

S

M

I

S

S

M

C

E

T

G

G

R

M

M

A

T

T

V

I

C

C

N

N

M

M

A

G

I

A

E

E

G

I

G

G

A

A

R

T

V

T

G

S

Y

V

I

F

N

P

P

Y

D

N

E

H

T

R

T

M

F

K

E

K

Y

Y

I

L

K

S

G

K

K

T

P

G

Y

R

A

A

P

D

K

I

D

A

N

N

W

L

D

A

E

D

M

-

V

-

E

E

Y

F

W

K

K

D

S

H

V

L

A

V

S

P

D

D

A

S

D

G

A

C

D

H

Y

Y

D

D

D

Q

I

L

V

I

K

E

F

I

D

N

G

L

A

S

D

E

I

L

E

K

P

P

M

H

I

I

T

N

W

G

G

P

I

F

N

T

P

P

E

D

Q

L

T

A

I

H

K

P

I

V

T

A

E

E

K

-

I

-

P

-

S

-

P

-

K

-

N

-

D

-

V

-

M

-

Q

-

E

-

A

-

L

-

D

-

Y

-

T

V

G

G

F

S

A

V

G

A

G

E

E

K

M

E

M

G

K

W

G

P

K

L

K

D

V

I

D

R

V

V

V

G

F

L

I

I

G

G

S
|
S

C
|
C

T

T

N

N

G

S

R

S

I

Y

E

E

D

D

F

M

R

G

E

R

A

S

A

A

K

A

Y

V

V

A

K

K

-

Q

-

A

-

L

G

A

H

H

N

G

V

L

A

K

A

C

G

K

V

S

R

Q

A

F

L

T

A

I

V

T

P

P

G

G

S

S

F

E

G

Q

V

I

R

R

D

A

Q

T

A

I

V

E

A

R

E

D

G

G

L

Y

D

A

K

Q

I

V

F

L

T

R

E

D

A

V

G

G

F

G

E

I

W

V

R

L

E

A

P

N

G

A

C
|
C

S

G

M

P

C
|
C

L
x
I

A

G

M

Q

-

W

-

D

N

R

P

K

D

D

K

I

L

K

V

K

G

G

R

E

E

K

I

N

S

T

A

I

S

V

T

T

S

S

-

Y

N

N

R
|
R

N

N

F

F

K

T

G

G

R
|
R

Q

N

G

D

S

A

S

N

-

P

T

E

G

T

R

H

T

A

L

F

L

V

L

T

S

S

P

P

V

E

M

I

A

V

V

T

A

A

A

L

A

A

V

I

T

A

G

G

E

T

I

L

active site: D99 (= D62), H100 (= H63), D164 (= D128), R446 (= R422)
binding 4-hydroxy-aconitate ion: H100 (= H63), D164 (= D128), S165 (= S129), R446 (= R422), R451 (= R427)
binding iron/sulfur cluster: H100 (= H63), D164 (= D128), H166 (= H130), S356 (= S338), C357 (= C339), C420 (= C399), C423 (= C402), I424 (≠ L403), R451 (= R427)

Sites not aligning to the query:

active site: 641, 643
binding 4-hydroxy-aconitate ion: 71, 74, 579, 641, 642, 643

1amjA Steric and conformational features of the aconitase mechanism (see paper)
25% identity, 87% coverage: 50:452/463 of query aligns to 89:477/753 of 1amjA

query
sites
1amjA

K

K

V

V

A

A

F

V

P

P

E

S

R

T

T

I

F

H

A

C

T

-

V

-

D
|
D

H
|
H

I

L

I

I

P

E

T

A

D

Q

-

L

-

G

D

E

R

K

S

D

R

L

P

R

Y

R

A

A

D

K

P

D

L

I

A

N

E

Q

E

E

M

V

M

Y

Q

N

A

F

I

L

E

A

K

T

N

A

T

G

K

A

E

K

N

Y

G

G

I

V

T

G

F

F

F

W

S

R

P

P

E

G

T

S

E

-

K

-

Q

-

G

G

V
x
I

V

I

H

H

I

Q

V

I

G

I

P

L

E

E

Q

N

G

-

L

Y

T

A

Q

Y

P

P

G

G

T

V

T

L

V

L

A

I

C

G

G

T

D
|
D

S

S

H
|
H

T

T

A

P

T

N

H

G

G

G

A

G

F

L

G

G

A

G

V

I

A

C

F

I

G

G

I

V

G

G

T

G

S

A

Q

D

V

A

R

V

D

D

V

V

L

M

A

A

T

G

Q

I

T

P

M

W

S

E

I

L

A

K

P

C

F

P

K

K

V

V

K

I

R

G

V

V

E

K

V

L

N

T

G

G

K

S

L

L

K

S

P

G

G

W

V

T

Y

S

A

P

K

K

D

D

V

V

I

I

L

L

Y

K

I

V

I

A

S

G

K

I

L

L

G

T

V

V

S

K

G

G

V

T

G

G

Y

A

A

I

Y

V

E

E

F

Y

A

H

G

G

D

P

V

G

I

V

D

D

N

S

M

I

S

S

M

C

E

T

G

G

R

M

M

A

T

T

V

I

C

C

N

N

M

M

A

G

I

A

E

E

G

I

G

G

A

A

R

T

V

T

G

S

Y

V

I

F

N

P

P

Y

D

N

E

H

T

R

T

M

F

K

E

K

Y

Y

I

L

K

S

G

K

K

T

P

G

Y

R

A

A

P

D

K

I

D

A

N

N

W

L

D

A

E

D

M

-

V

-

E

E

Y

F

W

K

K

D

S

H

V

L

A

V

S

P

D

D

A

S

D

G

A

C

D

H

Y

Y

D

D

D

Q

I

L

V

I

K

E

F

I

D

N

G

L

A

S

D

E

I

L

E

K

P

P

M

H

I

I

T

N

W

G

G

P

I

F

N

T

P

P

E

D

Q

L

T

A

I

H

K

P

I

V

T

A

E

E

K

-

I

-

P

-

S

-

P

-

K

-

N

-

D

-

V

-

M

-

Q

-

E

-

A

-

L

-

D

-

Y

-

T

V

G

G

F

S

A

V

G

A

G

E

E

K

M

E

M

G

K

W

G

P

K

L

K

D

V

I

D

R

V

V

V

G

F

L

I

I

G

G

S

S

C
|
C

T

T

N

N

G

S

R

S

I

Y

E

E

D

D

F

M

R

G

E

R

A

S

A

A

K

A

Y

V

V

A

K

K

-

Q

-

A

-

L

G

A

H

H

N

G

V

L

A

K

A

C

G

K

V

S

R

Q

A

F

L

T

A

I

V

T

P

P

G

G

S

S

F

E

G

Q

V

I

R

R

D

A

Q

T

A

I

V

E

A

R

E

D

G

G

L

Y

D

A

K

Q

I

V

F

L

T

R

E

D

A

V

G

G

F

G

E

I

W

V

R

L

E

A

P

N

G

A

C
|
C

S

G

M

P

C
|
C

L

I

A

G

M

Q

-

W

-

D

N

R

P

K

D

D

K

I

L

K

V

K

G

G

R

E

E

K

I

N

S

T

A

I

S

V

T

T

S

S

-

Y

N

N

R
|
R

N

N

F

F

K

T

G

G

R

R

Q

N

G

D

S

A

S

N

-

P

T

E

G

T

R

H

T

A

L

F

L

V

L

T

S

S

P

P

V

E

M

I

A

V

V

T

A

A

A

L

A

A

V

I

T

A

G

G

E

T

I

L

active site: D99 (= D62), H100 (= H63), D164 (= D128), R446 (= R422)
binding iron/sulfur cluster: I144 (≠ V107), H166 (= H130), C357 (= C339), C420 (= C399), C423 (= C402)

Sites not aligning to the query:

active site: 641, 643
binding sulfate ion: 71, 579, 643

1amiA Steric and conformational features of the aconitase mechanism (see paper)
25% identity, 87% coverage: 50:452/463 of query aligns to 89:477/753 of 1amiA

query
sites
1amiA

K

K

V

V

A

A

F

V

P

P

E

S

R

T

T

I

F

H

A

C

T

-

V

-

D
|
D

H
|
H

I

L

I

I

P

E

T

A

D

Q

-

L

-

G

D

E

R

K

S

D

R

L

P

R

Y

R

A

A

D

K

P

D

L

I

A

N

E

Q

E

E

M

V

M

Y

Q

N

A

F

I

L

E

A

K

T

N

A

T

G

K

A

E

K

N

Y

G

G

I

V

T

G

F

F

F

W

S

R

P

P

E

G

T

S

E

-

K

-

Q

-

G

G

V
x
I

V

I

H

H

I

Q

V

I

G

I

P

L

E

E

Q

N

G

-

L

Y

T

A

Q

Y

P

P

G

G

T

V

T

L

V

L

A

I

C

G

G

T

D
|
D

S
|
S

H
|
H

T

T

A

P

T

N

H

G

G

G

A

G

F

L

G

G

A

G

V

I

A

C

F

I

G

G

I

V

G

G

T

G

S

A

Q

D

V

A

R

V

D

D

V

V

L

M

A

A

T

G

Q

I

T

P

M

W

S

E

I

L

A

K

P

C

F

P

K

K

V

V

K

I

R

G

V

V

E

K

V

L

N

T

G

G

K

S

L

L

K

S

P

G

G

W

V

T

Y

S

A

P

K

K

D

D

V

V

I

I

L

L

Y

K

I

V

I

A

S

G

K

I

L

L

G

T

V

V

S

K

G

G

V

T

G

G

Y

A

A

I

Y

V

E

E

F

Y

A

H

G

G

D

P

V

G

I

V

D

D

N

S

M

I

S

S

M

C

E

T

G

G

R

M

M

A

T

T

V

I

C

C

N

N

M

M

A

G

I

A

E

E

G

I

G

G

A

A

R

T

V

T

G

S

Y

V

I

F

N

P

P

Y

D

N

E

H

T

R

T

M

F

K

E

K

Y

Y

I

L

K

S

G

K

K

T

P

G

Y

R

A

A

P

D

K

I

D

A

N

N

W

L

D

A

E

D

M

-

V

-

E

E

Y

F

W

K

K

D

S

H

V

L

A

V

S

P

D

D

A

S

D

G

A

C

D

H

Y

Y

D

D

D

Q

I

L

V

I

K

E

F

I

D

N

G

L

A

S

D

E

I

L

E

K

P

P

M

H

I

I

T

N

W

G

G

P

I

F

N

T

P

P

E

D

Q

L

T

A

I

H

K

P

I

V

T

A

E

E

K

-

I

-

P

-

S

-

P

-

K

-

N

-

D

-

V

-

M

-

Q

-

E

-

A

-

L

-

D

-

Y

-

T

V

G

G

F

S

A

V

G

A

G

E

E

K

M

E

M

G

K

W

G

P

K

L

K

D

V

I

D

R

V

V

V

G

F

L

I

I

G

G

S
|
S

C
|
C

T

T

N

N

G

S

R

S

I

Y

E

E

D

D

F

M

R

G

E

R

A

S

A

A

K

A

Y

V

V

A

K

K

-

Q

-

A

-

L

G

A

H

H

N

G

V

L

A

K

A

C

G

K

V

S

R

Q

A

F

L

T

A

I

V

T

P

P

G

G

S

S

F

E

G

Q

V

I

R

R

D

A

Q

T

A

I

V

E

A

R

E

D

G

G

L

Y

D

A

K

Q

I

V

F

L

T

R

E

D

A

V

G

G

F

G

E

I

W

V

R

L

E

A

P

N

G

A

C
|
C

S

G

M

P

C
|
C

L

I

A

G

M

Q

-

W

-

D

N

R

P

K

D

D

K

I

L

K

V

K

G

G

R

E

E

K

I

N

S

T

A

I

S

V

T

T

S

S

-

Y

N
|
N

R
|
R

N

N

F

F

K

T

G

G

R
|
R

Q

N

G

D

S

A

S

N

-

P

T

E

G

T

R

H

T

A

L

F

L

V

L

T

S

S

P

P

V

E

M

I

A

V

V

T

A

A

A

L

A

A

V

I

T

A

G

G

E

T

I

L

active site: D99 (= D62), H100 (= H63), D164 (= D128), R446 (= R422)
binding alpha-methylisocitric acid: H100 (= H63), D164 (= D128), S165 (= S129), R446 (= R422), R451 (= R427)
binding iron/sulfur cluster: H100 (= H63), I144 (≠ V107), D164 (= D128), H166 (= H130), S356 (= S338), C357 (= C339), C420 (= C399), C423 (= C402), N445 (= N421)

Sites not aligning to the query:

active site: 641, 643
binding alpha-methylisocitric acid: 71, 74, 579, 641, 642, 643

1acoA Crystal structure of aconitase with transaconitate bound (see paper)
25% identity, 87% coverage: 50:452/463 of query aligns to 89:477/753 of 1acoA

query
sites
1acoA

K

K

V

V

A

A

F

V

P

P

E

S

R

T

T

I

F

H

A

C

T

-

V

-

D
|
D

H
|
H

I

L

I

I

P

E

T

A

D

Q

-

L

-

G

D

E

R

K

S

D

R

L

P

R

Y

R

A

A

D

K

P

D

L

I

A

N

E

Q

E

E

M

V

M

Y

Q

N

A

F

I

L

E

A

K

T

N

A

T

G

K

A

E

K

N

Y

G

G

I

V

T

G

F

F

F

W

S

R

P

P

E

G

T

S

E

-

K

-

Q

-

G

G

V
x
I

V

I

H

H

I

Q

V

I

G

I

P

L

E

E

Q

N

G

-

L

Y

T

A

Q

Y

P

P

G

G

T

V

T

L

V

L

A

I

C

G

G

T

D
|
D

S
|
S

H
|
H

T

T

A

P

T

N

H

G

G

G

A

G

F

L

G

G

A

G

V

I

A

C

F

I

G

G

I

V

G

G

T

G

S

A

Q

D

V

A

R

V

D

D

V

V

L

M

A

A

T

G

Q

I

T

P

M

W

S

E

I

L

A

K

P

C

F

P

K

K

V

V

K

I

R

G

V

V

E

K

V

L

N

T

G

G

K

S

L

L

K

S

P

G

G

W

V

T

Y

S

A

P

K

K

D

D

V

V

I

I

L

L

Y

K

I

V

I

A

S

G

K

I

L

L

G

T

V

V

S

K

G

G

V

T

G

G

Y

A

A

I

Y

V

E

E

F

Y

A

H

G

G

D

P

V

G

I

V

D

D

N

S

M

I

S

S

M

C

E

T

G

G

R

M

M

A

T

T

V

I

C

C

N

N

M

M

A

G

I

A

E

E

G

I

G

G

A

A

R

T

V

T

G

S

Y

V

I

F

N

P

P

Y

D

N

E

H

T

R

T

M

F

K

E

K

Y

Y

I

L

K

S

G

K

K

T

P

G

Y

R

A

A

P

D

K

I

D

A

N

N

W

L

D

A

E

D

M

-

V

-

E

E

Y

F

W

K

K

D

S

H

V

L

A

V

S

P

D

D

A

S

D

G

A

C

D

H

Y

Y

D

D

D

Q

I

L

V

I

K

E

F

I

D

N

G

L

A

S

D

E

I

L

E

K

P

P

M

H

I

I

T

N

W

G

G

P

I

F

N

T

P

P

E

D

Q

L

T

A

I

H

K

P

I

V

T

A

E

E

K

-

I

-

P

-

S

-

P

-

K

-

N

-

D

-

V

-

M

-

Q

-

E

-

A

-

L

-

D

-

Y

-

T

V

G

G

F

S

A

V

G

A

G

E

E

K

M

E

M

G

K

W

G

P

K

L

K

D

V

I

D

R

V

V

V

G

F

L

I

I

G

G

S
|
S

C
|
C

T

T

N

N

G

S

R

S

I

Y

E

E

D

D

F

M

R

G

E

R

A

S

A

A

K

A

Y

V

V

A

K

K

-

Q

-

A

-

L

G

A

H

H

N

G

V

L

A

K

A

C

G

K

V

S

R

Q

A

F

L

T

A

I

V

T

P

P

G

G

S

S

F

E

G

Q

V

I

R

R

D

A

Q

T

A

I

V

E

A

R

E

D

G

G

L

Y

D

A

K

Q

I

V

F

L

T

R

E

D

A

V

G

G

F

G

E

I

W

V

R

L

E

A

P

N

G

A

C
|
C

S

G

M

P

C
|
C

L

I

A

G

M

Q

-

W

-

D

N

R

P

K

D

D

K

I

L

K

V

K

G

G

R

E

E

K

I

N

S

T

A

I

S

V

T

T

S

S

-

Y

N
|
N

R
|
R

N

N

F

F

K

T

G

G

R
|
R

Q

N

G

D

S

A

S

N

-

P

T

E

G

T

R

H

T

A

L

F

L

V

L

T

S

S

P

P

V

E

M

I

A

V

V

T

A

A

A

L

A

A

V

I

T

A

G

G

E

T

I

L

active site: D99 (= D62), H100 (= H63), D164 (= D128), R446 (= R422)
binding iron/sulfur cluster: H100 (= H63), I144 (≠ V107), D164 (= D128), H166 (= H130), S356 (= S338), C357 (= C339), C420 (= C399), C423 (= C402), N445 (= N421)
binding aconitate ion: D164 (= D128), S165 (= S129), R446 (= R422), R451 (= R427)

Sites not aligning to the query:

active site: 641, 643
binding aconitate ion: 71, 579, 641, 642, 643

1nisA Crystal structure of aconitase with trans-aconitate and nitrocitrate bound (see paper)
25% identity, 87% coverage: 50:452/463 of query aligns to 89:477/753 of 1nisA

query
sites
1nisA

K

K

V

V

A

A

F

V

P

P

E

S

R

T

T

I

F

H

A

C

T

-

V

-

D
|
D

H
|
H

I

L

I

I

P

E

T

A

D

Q

-

L

-

G

D

E

R

K

S

D

R

L

P

R

Y

R

A

A

D

K

P

D

L

I

A

N

E

Q

E

E

M

V

M

Y

Q

N

A

F

I

L

E

A

K

T

N

A

T

G

K

A

E

K

N

Y

G

G

I

V

T

G

F

F

F

W

S

R

P

P

E

G

T

S

E

-

K

-

Q

-

G

G

V
x
I

V

I

H

H

I

Q

V

I

G

I

P

L

E

E

Q

N

G

-

L

Y

T

A

Q

Y

P

P

G

G

T

V

T

L

V

L

A

I

C

G

G

T

D
|
D

S
|
S

H
|
H

T

T

A

P

T

N

H

G

G

G

A

G

F

L

G

G

A

G

V

I

A

C

F

I

G

G

I

V

G

G

T

G

S

A

Q

D

V

A

R

V

D

D

V

V

L

M

A

A

T

G

Q

I

T

P

M

W

S

E

I

L

A

K

P

C

F

P

K

K

V

V

K

I

R

G

V

V

E

K

V

L

N

T

G

G

K

S

L

L

K

S

P

G

G

W

V

T

Y

S

A

P

K

K

D

D

V

V

I

I

L

L

Y

K

I

V

I

A

S

G

K

I

L

L

G

T

V

V

S

K

G

G

V

T

G

G

Y

A

A

I

Y

V

E

E

F

Y

A

H

G

G

D

P

V

G

I

V

D

D

N

S

M

I

S

S

M

C

E

T

G

G

R

M

M

A

T

T

V

I

C

C

N

N

M

M

A

G

I

A

E

E

G

I

G

G

A

A

R

T

V

T

G

S

Y

V

I

F

N

P

P

Y

D

N

E

H

T

R

T

M

F

K

E

K

Y

Y

I

L

K

S

G

K

K

T

P

G

Y

R

A

A

P

D

K

I

D

A

N

N

W

L

D

A

E

D

M

-

V

-

E

E

Y

F

W

K

K

D

S

H

V

L

A

V

S

P

D

D

A

S

D

G

A

C

D

H

Y

Y

D

D

D

Q

I

L

V

I

K

E

F

I

D

N

G

L

A

S

D

E

I

L

E

K

P

P

M

H

I

I

T

N

W

G

G

P

I

F

N

T

P

P

E

D

Q

L

T

A

I

H

K

P

I

V

T

A

E

E

K

-

I

-

P

-

S

-

P

-

K

-

N

-

D

-

V

-

M

-

Q

-

E

-

A

-

L

-

D

-

Y

-

T

V

G

G

F

S

A

V

G

A

G

E

E

K

M

E

M

G

K

W

G

P

K

L

K

D

V

I

D

R

V

V

V

G

F

L

I

I

G

G

S
|
S

C
|
C

T

T

N

N

G

S

R

S

I

Y

E

E

D

D

F

M

R

G

E

R

A

S

A

A

K

A

Y

V

V

A

K

K

-

Q

-

A

-

L

G

A

H

H

N

G

V

L

A

K

A

C

G

K

V

S

R

Q

A

F

L

T

A

I

V

T

P

P

G

G

S

S

F

E

G

Q

V

I

R

R

D

A

Q

T

A

I

V

E

A

R

E

D

G

G

L

Y

D

A

K

Q

I

V

F

L

T

R

E

D

A

V

G

G

F

G

E

I

W

V

R

L

E

A

P

N

G

A

C
|
C

S

G

M

P

C
|
C

L

I

A

G

M

Q

-

W

-

D

N

R

P

K

D

D

K

I

L

K

V

K

G

G

R

E

E

K

I

N

S

T

A

I

S

V

T

T

S

S

-

Y

N

N

R
|
R

N

N

F

F

K

T

G

G

R
|
R

Q

N

G

D

S

A

S

N

-

P

T

E

G

T

R

H

T

A

L

F

L

V

L

T

S

S

P

P

V

E

M

I

A

V

V

T

A

A

A

L

A

A

V

I

T

A

G

G

E

T

I

L

active site: D99 (= D62), H100 (= H63), D164 (= D128), R446 (= R422)
binding 2-hydroxy-2-nitromethyl succinic acid: H100 (= H63), D164 (= D128), S165 (= S129), R446 (= R422), R451 (= R427)
binding iron/sulfur cluster: H100 (= H63), I144 (≠ V107), H166 (= H130), S356 (= S338), C357 (= C339), C420 (= C399), C423 (= C402)

Sites not aligning to the query:

active site: 641, 643
binding 2-hydroxy-2-nitromethyl succinic acid: 71, 579, 641, 642

P16276 Aconitate hydratase, mitochondrial; Aconitase; Citrate hydro-lyase; EC 4.2.1.3 from Sus scrofa (Pig) (see 3 papers)
25% identity, 87% coverage: 50:452/463 of query aligns to 117:505/781 of P16276

query
sites
P16276

K

K

V

V

A

A

F

V

P

P

E

S

R

T

T

I

F

H

A

C

T

-

V

-

D

D

H

H

I

L

I

I

P

E

T

A

D

Q

-

L

-

G

D

E

R

K

S

D

R

L

P

R

Y

R

A

A

D

K

P

D

L

I

A

N

E

Q

E

E

M

V

M

Y

Q

N

A

F

I

L

E

A

K

T

N

A

T

G

K

A

E

K

N

Y

G

G

I

V

T

G

F

F

F

W

S

R

P

P

E

G

T

S

E

-

K

-

Q

-

G

G

V

I

H

H

I

Q

V

I

G

I

P

L

E

E

Q

N

G

-

L

Y

T

A

Q

Y

P

P

G

G

T

V

T

L

V

L

A

I

C

G

G

T

D
|
D

S
|
S

H
|
H

T

T

A

P

T

N

H

G

G

G

A

G

F

L

G

G

A

G

V

I

A

C

F

I

G

G

I

V

G

G

T

G

S

A

Q

D

V

A

R

V

D

D

V

V

L

M

A

A

T

G

Q

I

T

P

M

W

S

E

I

L

A

K

P

C

F

P

K

K

V

V

K

I

R

G

V

V

E

K

V

L

N

T

G

G

K

S

L

L

K

S

P

G

G

W

V

T

Y

S

A

P

K

K

D

D

V

V

I

I

L

L

Y

K

I

V

I

A

S

G

K

I

L

L

G

T

V

V

S

K

G

G

V

T

G

G

Y

A

A

I

Y

V

E

E

F

Y

A

H

G

G

D

P

V

G

I

V

D

D

N

S

M

I

S

S

M

C

E

T

G

G

R

M

M

A

T

T

V

I

C

C

N

N

M

M

A

G

I

A

E

E

G

I

G

G

A

A

R

T

V

T

G

S

Y

V

I

F

N

P

P

Y

D

N

E

H

T

R

T

M

F

K

E

K

Y

Y

I

L

K

S

G

K

K

T

P

G

Y

R

A

A

P

D

K

I

D

A

N

N

W

L

D

A

E

D

M

-

V

-

E

E

Y

F

W

K

K

D

S

H

V

L

A

V

S

P

D

D

A

P

D

G

A

C

D

H

Y

Y

D

D

D

Q

I

V

V

I

K

E

F

I

D

N

G

L

A

S

D

E

I

L

E

K

P

P

M

H

I

I

T

N

W

G

G

P

I

F

N

T

P

P

E

D

Q

L

T

A

I

H

K

P

I

V

T

A

E

E

K

-

I

-

P

-

S

-

P

-

K

-

N

-

D

-

V

-

M

-

Q

-

E

-

A

-

L

-

D

-

Y

-

T

V

G

G

F

S

A

V

G

A

G

E

E

K

M

E

M

G

K

W

G

P

K

L

K

D

V

I

D

R

V

V

V

G

F

L

I

I

G

G

S

S

C
|
C

T

T

N

N

G

S

R

S

I

Y

E

E

D

D

F

M

R

G

E

R

A

S

A

A

K

A

Y

V

V

A

K

K

-

Q

-

A

-

L

G

A

H

H

N

G

V

L

A

K

A

C

G

K

V

S

R

Q

A

F

L

T

A

I

V

T

P

P

G

G

S

S

F

E

G

Q

V

I

R

R

D

A

Q

T

A

I

V

E

A

R

E

D

G

G

L

Y

D

A

K

Q

I

V

F

L

T

R

E

D

A

V

G

G

F

G

E

I

W

V

R

L

E

A

P

N

G

A

C
|
C

S

G

M

P

C
|
C

L

I

A

G

M

Q

-

W

-

D

N

R

P

K

D

D

K

I

L

K

V

K

G

G

R

E

E

K

I

N

S

T

A

I

S

V

T

T

S

S

-

Y

N

N

R
|
R

N

N

F

F

K

T

G

G

R
|
R

Q

N

G

D

S

A

S

N

-

P

T

E

G

T

R

H

T

A

L

F

L

V

L

T

S

S

P

P

V

E

M

I

A

V

V

T

A

A

A

L

A

A

V

I

T

A

G

G

E

T

I

L

DSH 192:194 (= DSH 128:130) binding substrate
C385 (= C339) binding [4Fe-4S] cluster
C448 (= C399) binding [4Fe-4S] cluster
C451 (= C402) binding [4Fe-4S] cluster
R474 (= R422) binding substrate
R479 (= R427) binding substrate

Sites not aligning to the query:

28 modified: Pyrrolidone carboxylic acid
99 binding substrate
607 binding substrate
670:671 binding substrate

1b0kA S642a:fluorocitrate complex of aconitase (see paper)
25% identity, 87% coverage: 50:452/463 of query aligns to 89:477/753 of 1b0kA

query
sites
1b0kA

K

K

V

V

A

A

F

V

P

P

E

S

R

T

T

I

F

H

A

C

T

-

V

-

D
|
D

H
|
H

I

L

I

I

P

E

T

A

D

Q

-

L

-

G

D

E

R

K

S

D

R

L

P

R

Y

R

A

A

D

K

P

D

L

I

A

N

E

Q

E

E

M

V

M

Y

Q

N

A

F

I

L

E

A

K

T

N

A

T

G

K

A

E

K

N

Y

G

G

I

V

T

G

F

F

F

W

S

R

P

P

E

G

T

S

E

-

K

-

Q

-

G

G

V

I

H

H

I

Q

V

I

G

I

P

L

E

E

Q

N

G

-

L

Y

T

A

Q

Y

P

P

G

G

T

V

T

L

V

L

A

I

C

G

G

T

D
|
D

S
|
S

H
|
H

T

T

A

P

T

N

H

G

G

G

A

G

F

L

G

G

A

G

V

I

A

C

F

I

G

G

I

V

G

G

T

G

S

A

Q

D

V

A

R

V

D

D

V

V

L

M

A

A

T

G

Q

I

T

P

M

W

S

E

I

L

A

K

P

C

F

P

K

K

V

V

K

I

R

G

V

V

E

K

V

L

N

T

G

G

K

S

L

L

K

S

P

G

G

W

V

T

Y

S

A

P

K

K

D

D

V

V

I

I

L

L

Y

K

I

V

I

A

S

G

K

I

L

L

G

T

V

V

S

K

G

G

V

T

G

G

Y

A

A

I

Y

V

E

E

F

Y

A

H

G

G

D

P

V

G

I

V

D

D

N

S

M

I

S

S

M

C

E

T

G

G

R

M

M

A

T

T

V

I

C

C

N

N

M

M

A

G

I

A

E

E

G

I

G

G

A

A

R

T

V

T

G

S

Y

V

I

F

N

P

P

Y

D

N

E

H

T

R

T

M

F

K

E

K

Y

Y

I

L

K

S

G

K

K

T

P

G

Y

R

A

A

P

D

K

I

D

A

N

N

W

L

D

A

E

D

M

-

V

-

E

E

Y

F

W

K

K

D

S

H

V

L

A

V

S

P

D

D

A

P

D

G

A

C

D

H

Y

Y

D

D

D

Q

I

V

V

I

K

E

F

I

D

N

G

L

A

S

D

E

I

L

E

K

P

P

M

H

I

I

T

N

W

G

G

P

I

F

N

T

P

P

E

D

Q

L

T

A

I

H

K

P

I

V

T

A

E

E

K

-

I

-

P

-

S

-

P

-

K

-

N

-

D

-

V

-

M

-

Q

-

E

-

A

-

L

-

D

-

Y

-

T

V

G

G

F

S

A

V

G

A

G

E

E

K

M

E

M

G

K

W

G

P

K

L

K

D

V

I

D

R

V

V

V

G

F

L

I

I

G

G

S
|
S

C
|
C

T

T

N

N

G

S

R

S

I

Y

E

E

D

D

F

M

R

G

E

R

A

S

A

A

K

A

Y

V

V

A

K

K

-

Q

-

A

-

L

G

A

H

H

N

G

V

L

A

K

A

C

G

K

V

S

R

Q

A

F

L

T

A

I

V

T

P

P

G

G

S

S

F

E

G

Q

V

I

R

R

D

A

Q

T

A

I

V

E

A

R

E

D

G

G

L

Y

D

A

K

Q

I

V

F

L

T

R

E

D

A

V

G

G

F

G

E

I

W

V

R

L

E

A

P

N

G

A

C
|
C

S

G

M

P

C
|
C

L

I

A

G

M

Q

-

W

-

D

N

R

P

K

D

D

K

I

L

K

V

K

G

G

R

E

E

K

I

N

S

T

A

I

S

V

T

T

S

S

-

Y

N

N

R
|
R

N

N

F

F

K

T

G

G

R
|
R

Q

N

G

D

S

A

S

N

-

P

T

E

G

T

R

H

T

A

L

F

L

V

L

T

S

S

P

P

V

E

M

I

A

V

V

T

A

A

A

L

A

A

V

I

T

A

G

G

E

T

I

L

active site: D99 (= D62), H100 (= H63), D164 (= D128), R446 (= R422)
binding citrate anion: H100 (= H63), D164 (= D128), S165 (= S129), R446 (= R422), R451 (= R427)
binding oxygen atom: D164 (= D128), H166 (= H130)
binding iron/sulfur cluster: H100 (= H63), D164 (= D128), H166 (= H130), S356 (= S338), C357 (= C339), C420 (= C399), C423 (= C402)

Sites not aligning to the query:

active site: 641, 643
binding citrate anion: 71, 579, 641, 642, 643

5acnA Structure of activated aconitase. Formation of the (4fe-4s) cluster in the crystal (see paper)
25% identity, 87% coverage: 50:452/463 of query aligns to 90:478/754 of 5acnA

query
sites
5acnA

K

K

V

V

A

A

F

V

P

P

E

S

R

T

T

I

F

H

A

C

T

-

V

-

D
|
D

H
|
H

I

L

I

I

P

E

T

A

D

Q

-

L

-

G

D

E

R

K

S

D

R

L

P

R

Y

R

A

A

D

K

P

D

L

I

A

N

E

Q

E

E

M

V

M

Y

Q

N

A

F

I

L

E

A

K

T

N

A

T

G

K

A

E

K

N

Y

G

G

I

V

T

G

F

F

F

W

S

R

P

P

E

G

T

S

E

-

K

-

Q

-

G

G

V
x
I

V

I

H
|
H

I

Q

V

I

G

I

P

L

E

E

Q

N

G

-

L

Y

T

A

Q

Y

P

P

G

G

T

V

T

L

V

L

A

I

C

G

G

T

D
|
D

S

S

H
|
H

T

T

A

P

T

N

H

G

G

G

A

G

F

L

G

G

A

G

V

I

A

C

F

I

G

G

I

V

G

G

T

G

S

A

Q

D

V

A

R

V

D

D

V

V

L

M

A

A

T

G

Q

I

T

P

M

W

S

E

I

L

A
x
K

P

C

F

P

K

K

V

V

K

I

R

G

V

V

E

K

V

L

N

T

G

G

K

S

L

L

K

S

P

G

G

W

V

T

Y

S

A

P

K

K

D

D

V

V

I

I

L

L

Y

K

I

V

I

A

S

G

K

I

L

L

G

T

V

V

S

K

G

G

V

T

G
|
G

Y

A

A

I

Y

V

E

E

F

Y

A

H

G

G

D

P

V

G

I

V

D

D

N

S

M

I

S

S

M

C

E

T

G

G

R

M

M

A

T

T

V

I

C

C

N

N

M

M

A

G

I

A

E

E

G

I

G

G

A

A

R

T

V

T

G

S

Y

V

I

F

N

P

P

Y

D

N

E

H

T

R

T

M

F

K

E

K

Y

Y

I

L

K

S

G

K

K

T

P

G

Y

R

A

A

P

D

K

I

D

A

N

N

W

L

D

A

E

D

M

-

V

-

E

E

Y

F

W

K

K

D

S

H

V

L

A

V

S

P

D

D

A

P

D

G

A

C

D

H

Y

Y

D

D

D

Q

I

V

V

I

K

E

F

I

D

N

G

L

A

S

D

E

I

L

E

K

P

P

M

H

I

I

T

N

W

G

G

P

I

F

N

T

P

P

E

D

Q

L

T

A

I

H

K

P

I

V

T

A

E

E

K

-

I

-

P

-

S

-

P

-

K

-

N

-

D

-

V

-

M

-

Q

-

E

-

A

-

L

-

D

-

Y

-

T

V

G

G

F

S

A

V

G

A

G

E

E

K

M

E

M

G

K

W

G

P

K

L

K

D

V

I

D

R

V

V

V

G

F

L

I

I

G

G

S

S

C
|
C

T

T

N

N

G

S

R

S

I

Y

E

E

D

D

F

M

R

G

E

R

A

S

A

A

K

A

Y

V

V

A

K

K

-

Q

-

A

-

L

G

A

H

H

N

G

V

L

A

K

A

C

G

K

V

S

R

Q

A

F

L

T

A

I

V

T

P

P

G

G

S

S

F

E

G

Q

V

I

R

R

D

A

Q

T

A

I

V

E

A

R

E

D

G

G

L

Y

D

A

K

Q

I

V

F

L

T

R

E

D

A

V

G

G

F

G

E

I

W

V

R

L

E

A

P

N

G

A

C
|
C

S

G

M

P

C
|
C

L

I

A

G

M

Q

-

W

-

D

N

R

P

K

D

D

K

I

L

K

V

K

G

G

R

E

E

K

I

N

S

T

A

I

S

V

T

T

S

S

-

Y

N
|
N

R
|
R

N

N

F

F

K

T

G

G

R

R

Q

N

G

D

S

A

S

N

-

P

T

E

G

T

R

H

T

A

L

F

L

V

L

T

S

S

P

P

V

E

M

I

A

V

V

T

A

A

A

L

A

A

V

I

T

A

G

G

E

T

I

L

active site: D100 (= D62), H101 (= H63), D165 (= D128), R447 (= R422)
binding fe3-s4 cluster: I145 (≠ V107), H147 (= H109), H167 (= H130), C358 (= C339), C421 (= C399), C424 (= C402), N446 (= N421)
binding tricarballylic acid: K198 (≠ A161), G235 (= G198)

Sites not aligning to the query:

active site: 642, 644
binding tricarballylic acid: 666

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)
26% identity, 75% coverage: 107:453/463 of query aligns to 198:580/909 of P09339

query
sites
P09339

V

V

H

H

I

A

V

I

G

E

P

E

E

D

Q

G

G

E

L

L

T

V

Q

T

P

Y

G

P

T

D

T

T

V

L

A

V

C

G

G

T

D

D

S

S

H

H

T

T

A

T

T

M

H

I

G

N

A

G

F

I

G

G

A

V

V

L

A

G

F

W

G

G

I

V

G

G

T

G

S

I

Q

E

V

A

R

E

D

A

V

G

L

M

A

L

T

G

Q

Q

T

P

M

S

S

Y

I

F

A

P

P

V

F

P

K

E

V

V

K

I

R

G

V

A

E

K

V

L

N

V

G

G

K

K

L

L

K

P

P

N

G

G

V

T

Y

T

A

A

K

T

D

D

V

L

I

A

L

L

Y

K

I

V

I

T

S

Q

K

V

L

L

G

R

V

E

S

K

G

G

G

V

V

V

G

G

Y

K

A

F

Y

V

E

E

F

F

A

F

G

G

D

P

V

G

I

I

D

A

N

E

M

L

S

P

M

L

E

A

G

D

R

R

M

A

T

T

V

I

C

A

N

N

M

M

A

A

I

P

E

E

G

Y

G

G

A

A

R

T

V

C

G

G

Y

F

I

F

N

P

P

V

D

D

E

E

T

E

T

A

F

L

E

N

Y

Y

I

L

K

R

G

L

K

T

P

G

Y

R

A

D

P

P

K

-

D

E

N

H

W

I

D

D

E

V

M

V

V

E

E

A

Y

Y

W

C

K

R

S

S

-

N

-

G

-

L

-

F

V

Y

A

T

S

P

D

D

A

A

-

E

D

D

A

P

D

Q

Y

F

D

T

D

D

I

V

V

V

K

E

F

I

D

D

G

L

A

S

D

Q

I

I

E

E

P

A

M

N

I

L

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W

G

G

P

I

K

N

R

P

P

E

Q

Q

D

T

L

I

I

K

P

I

L

T

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E

A

K

M

I

Q

P

E

S

T

P

F

K

K

N

K

D

Q

V

L

M

V

Q

S

E

P

A

A

-

G

-

N

-

Q

-

G

-

F

-

G

-

L

-

N

-

A

-

E

-

N

-

K

-

E

L

I

D

K

Y

F

T

K

G

L

F

L

A

N

G

G

G

E

E

E

-

T

M

V

M

M

K

K

G

T

K

G

K

A

V

I

D

A

V

I

V

A

F

A

I

I

G

T

S

S

C
|
C

T

T

N

N

G

T

R

S

I

N

E

P

D

Y

F

V

R

L

E

I

A

G

A

A

K

G

Y

L

V

V

K

A

G

K

H

K

N

A

V

V

A

E

A

L

G

G

-

L

-

K

-

V

-

P

-

N

-

Y

V

V

R

K

A

T

L

S

A

L

V

A

P

P

G

G

S

S

F

K

G

V

V

V

R

T

D

G

Q

Y

A

L

V

V

A

N

E

S

G

G

L

L

D

L

K

P

I

Y

F

M

T

K

E

E

A

L

G

G

F

F

E

N

W

L

R

V

E

G

P

Y

G

G

C

C

S

T

M

T

C

C

L

I

A

G

-

N

-

S

-

G

-

P

M

L

N

S

P

P

-

E

-

I

D

E

K

E

L

A

V

V

G

A

R

K

E

N

-

D

-

L

-

I

I

T

S

S

A

V

S

L

T

S

S

G

N

N

R

R

N

N

F

F

K

E

G

G

R

R

Q

I

G

H

S

P

S

L

T

V

G

K

R

G

T

N

L

Y

L

L

L

A

S

S

P

P

V

P

M

L

A

V

V

V

A

A

A

Y

A

A

V

L

T

A

G

G

E

T

I

V

S

N

C450 (= C339) 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.

2b3xA Structure of an orthorhombic crystal form of human cytosolic aconitase (irp1) (see paper)
23% identity, 85% coverage: 61:452/463 of query aligns to 123:565/888 of 2b3xA

query
sites
2b3xA

V

I

D
|
D

H
|
H

I

S

I

I

P

Q

T

V

D

D

D

F

R

N

S

R

R

R

P

-

Y

-

A

A

D

D

P

S

L

L

A

Q

E

K

E

N

M

Q

M

D

Q

L

A

E

I

F

E

E

K

R

N

N

T

R

K

E

E

R

-

F

-

E

-

F

-

L

-

K

-

W

-

G

-

S

-

Q

-

A

-

F

N

H

G

N

I

M

T

R

F

I

S

P

P

P

E

G

T

S

E

-

K

-

Q

-

G

G

V
x
I

V

I

H

H

-

Q

-

V

-

N

-

L

-

E

-

Y

-

L

-

A

-

R

I

V

V

V

G

F

P

D

E

Q

Q

D

G

G

L

Y

T

Y

Q

Y

P

P

G

D

T

S

T

L

V

V

A

G

C

T

G

-

D
|
D

S

S

H
|
H

T

T

A

T

T

M

H

I

G

D

A

G

F

L

G

G

A

I

V

L

A

G

F

W

G

G

I

V

G

G

T

G

S

I

Q

E

V

A

R

E

D

A

V

V

L

M

A

L

T

G

Q

Q

T

P

M

I

S

S

I

M

A

V

P

L

F

P

K

Q

V

V

K

I

R

G

V

Y

E

R

V

L

N

M

G

G

K

K

L

P

K

H

P

P

G

L

V

V

Y

T

A

S

K

T

D

D

V

I

I

V

L

L

Y

T

I

I

I

T

S

K

K

H

L

L

G

R

V

Q

S

V

G

G

G

V

V

V

G

G

Y

K

A

F

Y

V

E

E

F

F

A

F

G

G

D

P

V

G

I

V

D

A

N

Q

M

L

S

S

M

I

E

A

G

D

R

R

M

A

T

T

V

I

C

A

N

N

M

M

A

C

I

P

E

E

G

Y

G

G

A

A

R

T

V

A

G

A

Y

F

I

F

N

P

P

V

D

D

E

E

T

V

T

S

F

I

E

T

Y

Y

I

L

-

V

-

Q

K

T

G

G

K

R

P

-

Y

-

A

-

P

D

K

E

D

E

N

K

W

L

D

K

E

Y

M

I

V

K

E

K

Y

Y

W

L

K

Q

S

A

V

V

A

G

-

M

-

F

-

R

-

D

-

F

-

N

-

D

S

P

D

S

A

Q

D

D

A

P

D

D

Y

F

D

T

D

Q

I

V

V

V

K

E

F

L

D

D

G

L

A

K

D

T

I

V

E

V

P

P

M

C

I

C

T

S

W

G

G

P

I

K

N

R

P

P

E

Q

Q

D

T

K

I

V

K

A

I

V

T

S

E

D

K

M

-

K

-

D

-

F

-

E

-

S

-

C

-

L

-

G

-

A

-

K

-

Q

-

G

-

F

-

K

-

G

-

F

-

Q

-

V

I

A

P

P

S

E

P

H

K

H

N

N

D

D

V

H

M

K

Q

T

E

F

A

I

L

Y

D

D

Y

N

T

T

G

E

F

F

A

T

G

-

E

-

M

-

M

L

K

A

G

H

K

G

K

S

V

V

D

V

V

I

V

A

F

A

I

I

G

T

S

S

C
|
C

T

T

N

N

G

T

R

S

I

N

E

P

D

S

F

V

R

M

E

L

A

G

A

A

K

G

Y

L

V

L

K

A

G

K

H

K

N

A

V

V

A

D

A

A

G

G

V

L

R

N

A

V

L

M

A

P

V

Y

-

I

-

K

-

T

-

S

-

L

-

S

P

P

G

G

S

S

F

G

G

V

V

V

R

T

D

Y

Q

Y

A

L

V

Q

A

E

E

S

G

G

L

V

D

M

K

P

I

Y

F

L

T

S

E

Q

A

L

G

G

F

F

E

D

W

V

R

V

E

G

P

Y

G

G

C
|
C

S

M

M

T

C
|
C

L
x
I

A

G

M

N

N

S

-

G

-

P

-

L

P

P

D

E

K

P

L

V

V

V

G

E

R

A

-

I

-

T

-

Q

-

G

-

D

-

L

-

V

E

A

I

V

S

G

A

V

S

L

T

S

S

G

N
|
N

R
|
R

N

N

F

F

K

E

G

G

R

R

Q

V

G

H

S

P

S

N

T

T

G

R

R

A

T

N

L

Y

L

L

L

A

S

S

P

P

V

P

M

L

A

V

V

I

A

A

A

Y

A

A

V

I

T

A

G

G

E

T

I

I

active site: D124 (= D62), H125 (= H63), D204 (= D128), R535 (= R422)
binding iron/sulfur cluster: I175 (≠ V107), H206 (= H130), C436 (= C339), C502 (= C399), C505 (= C402), I506 (≠ L403), N534 (= N421)

Sites not aligning to the query:

active site: 777, 779

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)
23% identity, 85% coverage: 61:452/463 of query aligns to 124:566/889 of P21399

query
sites
P21399

V

I

D

D

H

H

I

S

I

I

P

Q

T

V

D

D

D

F

R

N

S

R

R

R

P

-

Y

-

A

A

D

D

P

S

L

L

A

Q

E

K

E

N

M

Q

M

D

Q

L

A

E

I

F

E

E

K

R

N

N

T

R

K

E

E

R

-

F

-

E

-

F

-

L

-

K

-

W

-

G

-

S

-

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-

A

-

F

N

H

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N

I

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P

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E

G

T

S

E

-

K

-

Q

-

G

G

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H

H

-

Q

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V

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N

-

L

-

E

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Y

-

L

-

A

-

R

I

V

V

V

G

F

P

D

E

Q

Q

D

G

G

L

Y

T

Y

Q

Y

P

P

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T

L

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V

A

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C

T

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-

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H

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A

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M

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A

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M

M

A
x
C

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E

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Y

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A

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T

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A

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M

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H

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N

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D

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F

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-

E

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A

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V

V

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V

V

I

V

A

F

A

I

I

G

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S

C
|
C

T

T

N

N

G

T

R

S

I

N

E

P

D

S

F

V

R

M

E

L

A

G

A

A

K

G

Y

L

V

L

K

A

G

K

H

K

N

A

V

V

A

D

A

A

G

G

V

L

R

N

A

V

L

M

A

P

V

Y

-

I

-

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-

L

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S

P

P

G

G

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S

F

G

G

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T

D

Y

Q

Y

A

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A

E

E

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G

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L

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F

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V

E

G

P

Y

G

G

C
|
C

S

M

M

T

C
|
C

L

I

A

G

M

N

N

S

-

G

-

P

-

L

P

P

D

E

K

P

L

V

V

V

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E

R

A

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I

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G

-

D

-

L

-

V

E

A

I

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G

A

V

S

L

T

S

S

G

N

N

R
|
R

N

N

F

F

K

E

G

G

R
|
R

Q

V

G

H

S

P

S

N

T

T

G

R

R

A

T

N

L

Y

L

L

L

A

S

S

P

P

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P

M

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A

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G

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I

I

C300 (≠ A223) mutation to S: No effect on aconitase activity or on RNA binding.
T318 (≠ E241) to M: in dbSNP:rs150373174
C437 (= C339) mutation to S: Loss of aconitase activity. Leads to constitutive RNA binding, irrespective of iron levels.
C503 (= C399) mutation to S: Loss of aconitase activity. Leads to constitutive RNA binding, irrespective of iron levels.
C506 (= C402) mutation to S: Loss of aconitase activity. Leads to constitutive RNA binding, irrespective of iron levels.
R536 (= R422) mutation to Q: Strongly reduced RNA binding.
R541 (= R427) mutation to Q: Strongly reduced RNA binding.

Sites not aligning to the query:

699 R→K: No effect on RNA binding.
778 S→A: No effect on iron-regulated RNA binding. Loss of aconitase activity.
780 R→Q: Nearly abolishes RNA binding.

1l5jA Crystal structure of e. Coli aconitase b. (see paper)
24% identity, 67% coverage: 120:430/463 of query aligns to 489:799/862 of 1l5jA

query
sites
1l5jA

P

P

G

D

T

T

T

V

V

G

A

T

C

G

G

G

D
|
D

S

S

H
|
H

T

T

A

-

T

-

H

R

G

F

A

P

F

I

G

G

A

-

V

I

A

S

F

F

G

P

I

A

G

G

T

S

S

G

Q

L

V

V

R

A

D

F

V

A

L

A

A

A

T

T

Q

G

T

V

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M

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P

I

L

A

D

P

M

F

P

K

E

V

S

K

V

R

L

V

V

E

R

V

F

N

K

G

G

K

K

L

M

K

Q

P

P

G

G

V

I

Y

T

A

L

K

R

D

D

V

L

I

V

-

H

-

A

-

I

-

P

L

L

Y

Y

I

A

I

I

S

K

K

Q

-

G

L

L

G

L

V

T

S

V

G

E

G

K

V

K

G

G

Y

K

A

K

Y

N

E

I

F

F

A

S

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G

D

R

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I

I

L

D

E

-

I

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E

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L

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-

E

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A

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L

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T

N

D

M

A

S

S

M

A

E

E

G

R

R

S

M

A

T

A

V

G

C

C

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T

M

I

A

K

I

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E

N

G

K

G

E

A

P

R

I

V

I

G

E

Y

Y

I

L

N

N

P

S

D

N

E

I

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V

T

L

F

L

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Y

W

I

M

K

I

G

A

K

E

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G

Y

Y

A

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K

R

D

R

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I

-

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E

E

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W

K

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A

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-

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L

A

E

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A

D

D

A

A

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D

A

A

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E

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Y

D

A

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I

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D

F

I

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L

A

A

D

D

I

I

-

K

E

E

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P

M

I

I

L

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C

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A

G

P

I

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N

D

P

P

E

D

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D

T

A

I

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I

L

T

S

E

A

K

-

I

-

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-

P

-

K

-

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-

D

-

V

-

M

-

Q

-

E

-

A

-

L

-

D

-

Y

-

T

-

G

-

F

-

A

-

G

-

E

-

M

-

M

V

K

Q

G

G

K

E

K

K

V

I

D

D

V

E

V

V

F

F

I

I

G

G

S
|
S

C
|
C

T

M

N

T

G

-

R

N

I

I

E

G

D

H

F

F

R

R

E

A

A

A

A

G

K

K

Y

L

V

L

K

D

G

A

H

H

N

K

V

G

A

Q

A

L

G

P

V

T

R

R

A

L

L

W

A

V

V

A

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G

P

S

T

F

R

G

M

V

D

R

A

D

A

Q

Q

A

L

V

T

A

E

E

E

G

G

L

Y

D

Y

K

S

I

V

F

F

T

G

E

K

A

S

G

G

F

A

E

R

W

I

R

E

E

I

P

P

G

G

C
|
C

S

S

M

L

C
|
C

L

M

A

G

M

-

N

N

P

Q

D

A

K

R

L

V

V

A

G

D

R

G

E

A

I

T

S

V

A

V

S

S

T

T

S

S

N
x
T

R

R

N

N

F

F

K

P

G

N

R

R

Q

L

G

G

S

T

active site: D497 (= D128)
binding fe3-s4 cluster: H499 (= H130), S709 (= S338), C710 (= C339), C769 (= C399), C772 (= C402), T790 (≠ N421)

Sites not aligning to the query:

binding fe3-s4 cluster: 444, 478

Query Sequence

>WP_013012055.1 NCBI__GCF_000025725.1:WP_013012055.1
MGKNLFNKVWEKHAVRVLPNGQTQLFIGMHLIHEVTSPQAFAMLKDLGIKVAFPERTFAT
VDHIIPTDDRSRPYADPLAEEMMQAIEKNTKENGITFFSPETEKQGVVHIVGPEQGLTQP
GTTVACGDSHTATHGAFGAVAFGIGTSQVRDVLATQTMSIAPFKVKRVEVNGKLKPGVYA
KDVILYIISKLGVSGGVGYAYEFAGDVIDNMSMEGRMTVCNMAIEGGARVGYINPDETTF
EYIKGKPYAPKDNWDEMVEYWKSVASDADADYDDIVKFDGADIEPMITWGINPEQTIKIT
EKIPSPKNDVMQEALDYTGFAGGEMMKGKKVDVVFIGSCTNGRIEDFREAAKYVKGHNVA
AGVRALAVPGSFGVRDQAVAEGLDKIFTEAGFEWREPGCSMCLAMNPDKLVGREISASTS
NRNFKGRQGSSTGRTLLLSPVMAVAAAVTGEISDCREVFEIGG

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