SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_020173599.1 NCBI__GCF_000385335.1:WP_020173599.1 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)

7rbxC Crystal structure of isocitrate lyase and phosphorylmutase:isocitrate lyase from brucella melitensis biovar abortus 2308 bound to itaconic acid (see paper)
73% identity, 96% coverage: 7:427/438 of query aligns to 3:424/425 of 7rbxC

query
sites
7rbxC

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binding 2-methylidenebutanedioic acid: C184 (= C186), H186 (= H188), R221 (= R223), S310 (= S313), S312 (= S315), T342 (= T345)

6lrtA Crystal structure of isocitrate lyase (caur_3889) from chloroflexus aurantiacus in complex with isocitrate and manganese ion
71% identity, 93% coverage: 18:426/438 of query aligns to 18:423/423 of 6lrtA

query
sites
6lrtA

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binding manganese (ii) ion: D104 (= D104), D148 (= D148), K184 (= K184)

7cmyC Isocitrate lyase from bacillus cereus atcc 14579 in complex with magnessium ion, glyoxylate, and succinate
66% identity, 93% coverage: 18:426/438 of query aligns to 17:417/417 of 7cmyC

query
sites
7cmyC

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binding magnesium ion: D103 (= D104), D147 (= D148), K183 (= K184)

7rb1A Isocitrate lyase-1 from mycobacterium tuberculosis covalently modified by 5-descarboxy-5-nitro-d-isocitric acid (see paper)
59% identity, 93% coverage: 18:426/438 of query aligns to 22:427/427 of 7rb1A

query
sites
7rb1A

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Q

M

A

A

M

V

Q

Q

M

Q

A

V

R

R

A

A

G

G

L

L

E

K

A

A

I

I

Y
|
Y

L

L

S
|
S

G

G

W
|
W

Q

Q

V

V

A

A

A

G

D

D

A

A

N

N

V

L

A

S

G

G

A

H

M

T

Y

Y

P

P

D

D

Q

Q

S

S

L

L

Y

Y

P

P

A

A

N

N

S

S

G

V

P

P

E

Q

L

V

A

V

R

R

K

R

I

I

N

N

K

N

T

A

F

L

K

Q

R

R

V

A

D

D

E

Q

I

I

E

A

H

K

A

I

E

E

G

G

N

D

V

T

T

S

-

V

R

E

D

N

W

W

F

L

L

A

P

P

I

I

I

V

A

A

D
|
D

A

G

E

E

A

A

G

G

F

F

G

G

P

A

L

L

N

N

V

V

F

Y

E

E

I

L

M

Q

K

K

A

A

Y

L

I

I

E

A

A

A

G

G

V

V

A

A

A

G

V

S

H

H

F

W

E

E

D

D

Q

Q

L

L

A

A

S

S

E

E

K

K

C
|
C

G
|
G

H
|
H

L

L

G

G

K

K

V

V

L

L

L

I

P

P

T

T

A

Q

Q

Q

H

H

E

I

R

R

S

T

L

L

S

T

A

S

A

A

R

R

L

L

A

A

D

D

V

V

M

A

G

D

V

V

P

P

T

T

L

V

V

V

V

I

A

A

R
|
R

T

T

D

D

A

A

E

E

S

A

A

A

K

T

L

L

I

I

T

T

S

S

D

D

V

V

D

D

E

E

R

R

D

D

R

Q

P

P

F

F

I

I

I

T

P

G

D

E

S

-

R

R

T

T

P

R

E

E

G

G

F

F

Y

Y

R

R

L

T

K

K

D

N

G

G

T

-

G

-

L

I

A

E

H

P

C

C

I

I

S

A

R

R

G

A

L

K

A

A

Y

Y

A
|
A

E

P

V

F

S
x
A

D

D

M

L

L

I

W

W

W

M

E

E

T

T

S

G

H

T

P

P

D

D

L

L

G

E

E

A

A

A

R

R

E

Q

F

F

A

S

E

E

A

A

V

V

H

K

K

A

K

E

F

Y

P

P

G

D

K
x
Q

L

M

L

L

A

A

Y

Y

N

N

C

C

S
|
S

P

P

S
|
S

F

F

N

N

W

W

R

K

A

K

K

H

L

L

D

D

K

D

A

A

T

T

I

I

E

A

K

K

F

F

Q

Q

R

K

E

E

L

L

G

A

A

A

M

M

G

G

Y

F

K

K

Y

F

Q

Q

F

F

V

I

T
|
T

L

L

A

A

G

G

F

F

H

H

S

A

L

L

N

N

L

Y

S

S

M

M

Y

F

E

D

L

L

A

A

L

Y

G

G

Y

Y

K

A

D

Q

R

N

G

Q

M

M

D

S

A

A

Y

Y

S

V

E

E

L

L

Q

Q

Q

E

A

R

E

E

F

F

D

A

L

A

E

E

A

E

K

R

G

G

Y

Y

S

T

A

A

T

T

R

K

H

H

Q

Q

R

R

E

E

V

V

G

G

T

A

G

G

Y

Y

F

F

D

D

A

R

V

I

S

A

V

T

A

T

I

V

S

D

G

P

G

N

A

-

S

S

T

T

A

A

M

L

G

T

E

G

S

S

T

T

E

E

S

E

A

G

Q

Q

F

F

binding dihydroxyacetic acid: Y89 (= Y85), S91 (= S87), W93 (= W89), D153 (= D148), R228 (= R223), T347 (= T345)
binding (3E)-3-(hydroxyimino)propanoic acid: C191 (= C186), G192 (= G187), H193 (= H188), R228 (= R223), S315 (= S313), S317 (= S315), T347 (= T345)
binding magnesium ion: A276 (= A274), A279 (≠ S277), Q308 (≠ K306)

6wsiA Intact cis-2,3-epoxysuccinic acid bound to isocitrate lyase-1 from mycobacterium tuberculosis (see paper)
59% identity, 93% coverage: 18:426/438 of query aligns to 22:427/427 of 6wsiA

query
sites
6wsiA

R

R

F

W

D

K

G

D

I

V

R

T

R

R

P

T

Y

Y

G

S

P

A

E

E

E

D

V

V

K

V

R

A

L

L

R

Q

G

G

S

S

F

V

P

V

I

E

A

E

Y

H

T

T

L

L

A

A

E

R

R

R

S

G

A

A

N

E

K

V

L

L

W

W

K

E

L

Q

M

L

Q

H

E

D

R

L

P

E

Y

W

V

V

H

N

S

A

L

L

G

G

A

A

V

L

T

T

G

G

N

N

Q

M

A

A

M

V

Q

Q

M

Q

A

V

R

R

A

A

G

G

L

L

E

K

A

A

I

I

Y
|
Y

L

L

S

S

G

G

W

W

Q

Q

V

V

A

A

A

G

D

D

A

A

N

N

V

L

A

S

G

G

A

H

M

T

Y

Y

P

P

D
|
D

Q

Q

S

S

L

L

Y

Y

P

P

A

A

N

N

S

S

G

V

P

P

E

Q

L

V

A

V

R

R

K

R

I

I

N

N

K

N

T

A

F

L

K

Q

R

R

V

A

D

D

E

Q

I

I

E

A

H

K

A

I

E

E

G

G

N

D

V

T

T

S

-

V

R

E

D

N

W

W

F

L

L

A

P

P

I

I

I

V

A

A

D
|
D

A

G

E
|
E

A

A

G

G

F

F

G

G

P

A

L

L

N

N

V

V

F

Y

E

E

I

L

M

Q

K

K

A

A

Y

L

I

I

E

A

A

A

G

G

V

V

A

A

A

G

V

S

H
|
H

F

W

E
|
E

D

D

Q

Q

L

L

A

A

S

S

E

E

K

K

C
|
C

G
|
G

H
|
H

L

L

G

G

K

K

V

V

L

L

L

I

P

P

T

T

A

Q

Q

Q

H

H

E

I

R

R

S

T

L

L

S

T

A

S

A

A

R

R

L

L

A

A

D

D

V

V

M

A

G

D

V

V

P

P

T

T

L

V

V

V

V

I

A

A

R
|
R

T

T

D

D

A

A

E

E

S

A

A

A

K

T

L

L

I

I

T

T

S

S

D

D

V

V

D

D

E

E

R

R

D

D

R

Q

P

P

F

F

I

I

I

T

P

G

D

E

S

-

R

R

T

T

P

R

E

E

G

G

F

F

Y

Y

R

R

L

T

K

K

D

N

G

G

T

-

G

-

L

I

A

E

H

P

C

C

I

I

S

A

R

R

G

A

L

K

A

A

Y

Y

A
|
A

E

P

V

F

S
x
A

D

D

M

L

L

I

W

W

W

M

E
|
E

T

T

S

G

H

T

P

P

D

D

L

L

G

E

E

A

A

A

R

R

E

Q

F

F

A

S

E

E

A

A

V

V

H

K

K

A

K

E

F

Y

P

P

G

D

K
x
Q

L

M

L

L

A

A

Y

Y

N
|
N

C

C

S
|
S

P

P

S
|
S

F

F

N

N

W

W

R

K

A

K

K

H

L

L

D

D

K

D

A

A

T

T

I

I

E

A

K

K

F

F

Q

Q

R

K

E

E

L

L

G

A

A

A

M

M

G

G

Y

F

K

K

Y

F

Q

Q

F

F

V

I

T
|
T

L

L

A

A

G

G

F

F

H

H

S

A

L

L

N

N

L

Y

S

S

M

M

Y

F

E

D

L

L

A

A

L

Y

G

G

Y

Y

K

A

D

Q

R

N

G

Q

M

M

D

S

A

A

Y

Y

S

V

E

E

L

L

Q

Q

Q

E

A

R

E

E

F

F

D

A

L

A

E

E

A

E

K

R

G

G

Y

Y

S

T

A

A

T

T

R

K

H

H

Q

Q

R

R

E

E

V

V

G

G

T

A

G

G

Y

Y

F

F

D

D

A

R

V

I

S

A

V

T

A

T

I

V

S

D

G

P

G

N

A

-

S

S

T

T

A

A

M

L

G

T

E

G

S

S

T

T

E

E

S

E

A

G

Q

Q

F

F

active site: Y89 (= Y85), D108 (= D104), D153 (= D148), E155 (= E150), H180 (= H175), E182 (= E177), C191 (= C186), H193 (= H188), R228 (= R223), E285 (= E283), Q308 (≠ K306), S315 (= S313), S317 (= S315)
binding magnesium ion: A276 (= A274), A279 (≠ S277), Q308 (≠ K306)
binding (2R,3S)-oxirane-2,3-dicarboxylic acid: C191 (= C186), G192 (= G187), H193 (= H188), R228 (= R223), E285 (= E283), N313 (= N311), S315 (= S313), S317 (= S315), T347 (= T345)

6vb9A Covalent adduct of cis-2,3-epoxysuccinic acid with isocitrate lyase-1 from mycobacterium tuberculosis (see paper)
59% identity, 93% coverage: 18:426/438 of query aligns to 22:427/427 of 6vb9A

query
sites
6vb9A

R

R

F

W

D

K

G

D

I

V

R

T

R

R

P

T

Y

Y

G

S

P

A

E

E

E

D

V

V

K

V

R

A

L

L

R

Q

G

G

S

S

F

V

P

V

I

E

A

E

Y

H

T

T

L

L

A

A

E

R

R

R

S

G

A

A

N

E

K

V

L

L

W

W

K

E

L

Q

M

L

Q

H

E

D

R

L

P

E

Y

W

V

V

H

N

S

A

L

L

G

G

A

A

V

L

T

T

G

G

N

N

Q

M

A

A

M

V

Q

Q

M

Q

A

V

R

R

A

A

G

G

L

L

E

K

A

A

I

I

Y
|
Y

L

L

S
|
S

G
|
G

W
|
W

Q

Q

V

V

A

A

A

G

D

D

A

A

N

N

V

L

A

S

G

G

A

H

M

T

Y

Y

P

P

D
|
D

Q

Q

S

S

L

L

Y

Y

P

P

A

A

N

N

S

S

G

V

P

P

E

Q

L

V

A

V

R

R

K

R

I

I

N

N

K

N

T

A

F

L

K

Q

R

R

V

A

D

D

E

Q

I

I

E

A

H

K

A

I

E

E

G

G

N

D

V

T

T

S

-

V

R

E

D

N

W

W

F

L

L

A

P

P

I

I

I

V

A

A

D
|
D

A

G

E
|
E

A

A

G

G

F

F

G

G

P

A

L

L

N

N

V

V

F

Y

E

E

I

L

M

Q

K

K

A

A

Y

L

I

I

E

A

A

A

G

G

V

V

A

A

A

G

V

S

H
|
H

F

W

E
|
E

D

D

Q

Q

L

L

A

A

S

S

E

E

K

K

C
|
C

G

G

H
|
H

L

L

G

G

K

K

V

V

L

L

L

I

P

P

T

T

A

Q

Q

Q

H

H

E

I

R

R

S

T

L

L

S

T

A

S

A

A

R

R

L

L

A

A

D

D

V

V

M

A

G

D

V

V

P

P

T

T

L

V

V

V

V

I

A

A

R
|
R

T

T

D

D

A

A

E

E

S

A

A

A

K

T

L

L

I

I

T

T

S

S

D

D

V

V

D

D

E

E

R

R

D

D

R

Q

P

P

F

F

I

I

I

T

P

G

D

E

S

-

R

R

T

T

P

R

E

E

G

G

F

F

Y

Y

R

R

L

T

K

K

D

N

G

G

T

-

G

-

L

I

A

E

H

P

C

C

I

I

S

A

R

R

G

A

L

K

A

A

Y

Y

A
|
A

E

P

V

F

S
x
A

D

D

M

L

L

I

W
|
W

W

M

E
|
E

T

T

S

G

H

T

P

P

D

D

L

L

G

E

E

A

A

A

R

R

E

Q

F

F

A

S

E

E

A

A

V

V

H

K

K

A

K

E

F

Y

P

P

G

D

K
x
Q

L

M

L

L

A

A

Y

Y

N

N

C

C

S
|
S

P

P

S
|
S

F

F

N

N

W

W

R

K

A

K

K

H

L

L

D

D

K

D

A

A

T

T

I

I

E

A

K

K

F

F

Q

Q

R

K

E

E

L

L

G

A

A

A

M

M

G

G

Y

F

K

K

Y

F

Q

Q

F

F

V

I

T
|
T

L

L

A

A

G

G

F

F

H

H

S

A

L

L

N

N

L

Y

S

S

M

M

Y

F

E

D

L

L

A

A

L

Y

G

G

Y

Y

K

A

D

Q

R

N

G

Q

M

M

D

S

A

A

Y

Y

S

V

E

E

L

L

Q

Q

Q

E

A

R

E

E

F

F

D

A

L

A

E

E

A

E

K

R

G

G

Y

Y

S

T

A

A

T

T

R

K

H

H

Q

Q

R

R

E

E

V

V

G

G

T

A

G

G

Y

Y

F

F

D

D

A

R

V

I

S

A

V

T

A

T

I

V

S

D

G

P

G

N

A

-

S

S

T

T

A

A

M

L

G

T

E

G

S

S

T

T

E

E

S

E

A

G

Q

Q

F

F

active site: Y89 (= Y85), D108 (= D104), D153 (= D148), E155 (= E150), H180 (= H175), E182 (= E177), C191 (= C186), H193 (= H188), R228 (= R223), E285 (= E283), Q308 (≠ K306), S315 (= S313), S317 (= S315)
binding magnesium ion: A276 (= A274), A279 (≠ S277), Q308 (≠ K306)
binding oxalic acid: Y89 (= Y85), S91 (= S87), G92 (= G88), W93 (= W89), D153 (= D148), C191 (= C186), R228 (= R223), W283 (= W281), T347 (= T345)

5dqlA Crystal structure of 2-vinyl glyoxylate modified isocitrate lyase from mycobacterium tuberculosis (see paper)
59% identity, 93% coverage: 18:426/438 of query aligns to 22:427/427 of 5dqlA

query
sites
5dqlA

R

R

F

W

D

K

G

D

I

V

R

T

R

R

P

T

Y

Y

G

S

P

A

E

E

E

D

V

V

K

V

R

A

L

L

R

Q

G

G

S

S

F

V

P

V

I

E

A

E

Y

H

T

T

L

L

A

A

E

R

R

R

S

G

A

A

N

E

K

V

L

L

W

W

K

E

L

Q

M

L

Q

H

E

D

R

L

P

E

Y

W

V

V

H

N

S

A

L

L

G

G

A

A

V

L

T

T

G

G

N

N

Q

M

A

A

M

V

Q

Q

M

Q

A

V

R

R

A

A

G

G

L

L

E

K

A

A

I

I

Y
|
Y

L

L

S

S

G

G

W
|
W

Q

Q

V

V

A

A

A

G

D

D

A

A

N

N

V

L

A

S

G

G

A

H

M

T

Y

Y

P

P

D
|
D

Q

Q

S

S

L

L

Y

Y

P

P

A

A

N

N

S

S

G

V

P

P

E

Q

L

V

A

V

R

R

K

R

I

I

N

N

K

N

T

A

F

L

K

Q

R

R

V

A

D

D

E

Q

I

I

E

A

H

K

A

I

E

E

G

G

N

D

V

T

T

S

-

V

R

E

D

N

W

W

F

L

L

A

P

P

I

I

I

V

A

A

D
|
D

A

G

E
|
E

A

A

G

G

F

F

G

G

P

A

L

L

N

N

V

V

F

Y

E

E

I

L

M

Q

K

K

A

A

Y

L

I

I

E

A

A

A

G

G

V

V

A

A

A

G

V

S

H
|
H

F

W

E
|
E

D

D

Q

Q

L

L

A

A

S

S

E

E

K

K

C
|
C

G

G

H
|
H

L

L

G

G

K

K

V

V

L

L

L

I

P

P

T

T

A

Q

Q

Q

H

H

E

I

R

R

S

T

L

L

S

T

A

S

A

A

R

R

L

L

A

A

D

D

V

V

M

A

G

D

V

V

P

P

T

T

L

V

V

V

V

I

A

A

R
|
R

T

T

D

D

A

A

E

E

S

A

A

A

K

T

L

L

I

I

T

T

S

S

D

D

V

V

D

D

E

E

R

R

D

D

R

Q

P

P

F

F

I

I

I

T

P

G

D

E

S

-

R

R

T

T

P

R

E

E

G

G

F

F

Y

Y

R

R

L

T

K

K

D

N

G

G

T

-

G

-

L

I

A

E

H

P

C

C

I

I

S

A

R

R

G

A

L

K

A

A

Y

Y

A
|
A

E

P

V

F

S
x
A

D

D

M

L

L

I

W

W

W

M

E
|
E

T

T

S

G

H

T

P

P

D

D

L

L

G

E

E

A

A

A

R

R

E

Q

F

F

A

S

E

E

A

A

V

V

H

K

K

A

K

E

F

Y

P

P

G

D

K
x
Q

L

M

L

L

A

A

Y

Y

N

N

C

C

S
|
S

P

P

S
|
S

F

F

N

N

W

W

R

K

A

K

K

H

L

L

D

D

K

D

A

A

T

T

I

I

E

A

K

K

F

F

Q

Q

R

K

E

E

L

L

G

A

A

A

M

M

G

G

Y

F

K

K

Y

F

Q

Q

F

F

V

I

T
|
T

L
|
L

A

A

G

G

F

F

H

H

S

A

L

L

N

N

L

Y

S

S

M

M

Y

F

E

D

L

L

A

A

L

Y

G

G

Y

Y

K

A

D

Q

R

N

G

Q

M

M

D

S

A

A

Y

Y

S

V

E

E

L

L

Q

Q

Q

E

A

R

E

E

F

F

D

A

L

A

E

E

A

E

K

R

G

G

Y

Y

S

T

A

A

T

T

R

K

H

H

Q

Q

R

R

E

E

V

V

G

G

T

A

G

G

Y

Y

F

F

D

D

A

R

V

I

S

A

V

T

A

T

I

V

S

D

G

P

G

N

A

-

S

S

T

T

A

A

M

L

G

T

E

G

S

S

T

T

E

E

S

E

A

G

Q

Q

F

F

active site: Y89 (= Y85), D108 (= D104), D153 (= D148), E155 (= E150), H180 (= H175), E182 (= E177), C191 (= C186), H193 (= H188), R228 (= R223), E285 (= E283), Q308 (≠ K306), S315 (= S313), S317 (= S315)
binding magnesium ion: A276 (= A274), A279 (≠ S277), Q308 (≠ K306)
binding 4-hydroxy-2-oxobutanoic acid: W93 (= W89), D108 (= D104), C191 (= C186), H193 (= H188), S315 (= S313), S317 (= S315), T347 (= T345), L348 (= L346)

6xppA Crystal structure of itaconate modified mycobaterium tuberculosis isocitrate lyase (see paper)
59% identity, 93% coverage: 18:426/438 of query aligns to 21:426/426 of 6xppA

query
sites
6xppA

R

R

F

W

D

K

G

D

I

V

R

T

R

R

P

T

Y

Y

G

S

P

A

E

E

E

D

V

V

K

V

R

A

L

L

R

Q

G

G

S

S

F

V

P

V

I

E

A

E

Y

H

T

T

L

L

A

A

E

R

R

R

S

G

A

A

N

E

K

V

L

L

W

W

K

E

L

Q

M

L

Q

H

E

D

R

L

P

E

Y

W

V

V

H

N

S

A

L

L

G

G

A

A

V

L

T

T

G

G

N

N

Q

M

A

A

M

V

Q

Q

M

Q

A

V

R

R

A

A

G

G

L

L

E

K

A

A

I

I

Y
|
Y

L

L

S

S

G

G

W
|
W

Q

Q

V

V

A

A

A

G

D

D

A

A

N

N

V

L

A

S

G

G

A

H

M

T

Y

Y

P

P

D
|
D

Q

Q

S

S

L

L

Y

Y

P

P

A

A

N

N

S

S

G

V

P

P

E

Q

L

V

A

V

R

R

K

R

I

I

N

N

K

N

T

A

F

L

K

Q

R

R

V

A

D

D

E

Q

I

I

E

A

H

K

A

I

E

E

G

G

N

D

V

T

T

S

-

V

R

E

D

N

W

W

F

L

L

A

P

P

I

I

I

V

A

A

D
|
D

A

G

E
|
E

A

A

G

G

F

F

G

G

P

A

L

L

N

N

V

V

F

Y

E

E

I

L

M

Q

K

K

A

A

Y

L

I

I

E

A

A

A

G

G

V

V

A

A

A

G

V

S

H
|
H

F

W

E
|
E

D

D

Q

Q

L

L

A

A

S

S

E

E

K

K

C
|
C

G

G

H
|
H

L

L

G

G

K

K

V

V

L

L

L

I

P

P

T

T

A

Q

Q

Q

H

H

E

I

R

R

S

T

L

L

S

T

A

S

A

A

R

R

L

L

A

A

D

D

V

V

M

A

G

D

V

V

P

P

T

T

L

V

V

V

V

I

A

A

R
|
R

T

T

D

D

A

A

E

E

S

A

A

A

K

T

L

L

I

I

T

T

S

S

D

D

V

V

D

D

E

E

R

R

D

D

R

Q

P

P

F

F

I

I

I

T

P

G

D

E

S

-

R

R

T

T

P

R

E

E

G

G

F

F

Y

Y

R

R

L

T

K

K

D

N

G

G

T

-

G

-

L

I

A

E

H

P

C

C

I

I

S

A

R

R

G

A

L

K

A

A

Y

Y

A
|
A

E

P

V

F

S
x
A

D

D

M

L

L

I

W

W

W

M

E
|
E

T

T

S

G

H

T

P

P

D

D

L

L

G

E

E

A

A

A

R

R

E

Q

F

F

A

S

E

E

A

A

V

V

H

K

K

A

K

E

F

Y

P

P

G

D

K
x
Q

L

M

L

L

A

A

Y

Y

N
|
N

C

C

S
|
S

P

P

S
|
S

F

F

N

N

W

W

R

K

A

K

K

H

L

L

D

D

K

D

A

A

T

T

I

I

E

A

K

K

F

F

Q

Q

R

K

E

E

L

L

G

A

A

A

M

M

G

G

Y

F

K

K

Y

F

Q

Q

F

F

V

I

T
|
T

L

L

A

A

G

G

F

F

H

H

S

A

L

L

N

N

L

Y

S

S

M

M

Y

F

E

D

L

L

A

A

L

Y

G

G

Y

Y

K

A

D

Q

R

N

G

Q

M

M

D

S

A

A

Y

Y

S

V

E

E

L

L

Q

Q

Q

E

A

R

E

E

F

F

D

A

L

A

E

E

A

E

K

R

G

G

Y

Y

S

T

A

A

T

T

R

K

H

H

Q

Q

R

R

E

E

V

V

G

G

T

A

G

G

Y

Y

F

F

D

D

A

R

V

I

S

A

V

T

A

T

I

V

S

D

G

P

G

N

A

-

S

S

T

T

A

A

M

L

G

T

E

G

S

S

T

T

E

E

S

E

A

G

Q

Q

F

F

active site: Y88 (= Y85), D107 (= D104), D152 (= D148), E154 (= E150), H179 (= H175), E181 (= E177), C190 (= C186), H192 (= H188), R227 (= R223), E284 (= E283), Q307 (≠ K306), S314 (= S313), S316 (= S315)
binding 2-methylidenebutanedioic acid: W92 (= W89), C190 (= C186), H192 (= H188), R227 (= R223), N312 (= N311), S314 (= S313), S316 (= S315), T346 (= T345)
binding magnesium ion: A275 (= A274), A278 (≠ S277), Q307 (≠ K306)

6c4aA Crystal structure of 3-nitropropionate modified isocitrate lyase from mycobacterium tuberculosis with pyruvate (see paper)
59% identity, 93% coverage: 18:426/438 of query aligns to 23:428/428 of 6c4aA

query
sites
6c4aA

R

R

F

W

D

K

G

D

I

V

R

T

R

R

P

T

Y

Y

G

S

P

A

E

E

E

D

V

V

K

V

R

A

L

L

R

Q

G

G

S

S

F

V

P

V

I

E

A

E

Y

H

T

T

L

L

A

A

E

R

R

R

S

G

A

A

N

E

K

V

L

L

W

W

K

E

L

Q

M

L

Q

H

E

D

R

L

P

E

Y

W

V

V

H

N

S

A

L

L

G

G

A

A

V

L

T

T

G

G

N

N

Q

M

A

A

M

V

Q

Q

M

Q

A

V

R

R

A

A

G

G

L

L

E

K

A

A

I

I

Y
|
Y

L

L

S
|
S

G
|
G

W
|
W

Q

Q

V

V

A

A

A

G

D

D

A

A

N

N

V

L

A

S

G

G

A

H

M

T

Y

Y

P

P

D
|
D

Q

Q

S

S

L

L

Y

Y

P

P

A

A

N

N

S

S

G

V

P

P

E

Q

L

V

A

V

R

R

K

R

I

I

N

N

K

N

T

A

F

L

K

Q

R

R

V

A

D

D

E

Q

I

I

E

A

H

K

A

I

E

E

G

G

N

D

V

T

T

S

-

V

R

E

D

N

W

W

F

L

L

A

P

P

I

I

I

V

A

A

D
|
D

A

G

E
|
E

A

A

G

G

F

F

G

G

P

A

L

L

N

N

V

V

F

Y

E

E

I

L

M

Q

K

K

A

A

Y

L

I

I

E

A

A

A

G

G

V

V

A

A

A

G

V

S

H
|
H

F

W

E
|
E

D

D

Q

Q

L

L

A

A

S

S

E

E

K

K

C
|
C

G

G

H
|
H

L

L

G

G

K

K

V

V

L

L

L

I

P

P

T

T

A

Q

Q

Q

H

H

E

I

R

R

S

T

L

L

S

T

A

S

A

A

R

R

L

L

A

A

D

D

V

V

M

A

G

D

V

V

P

P

T

T

L

V

V

V

V

I

A

A

R
|
R

T

T

D

D

A

A

E

E

S

A

A

A

K

T

L

L

I

I

T

T

S

S

D

D

V

V

D

D

E

E

R

R

D

D

R

Q

P

P

F

F

I

I

I

T

P

G

D

E

S

-

R

R

T

T

P

R

E

E

G

G

F

F

Y

Y

R

R

L

T

K

K

D

N

G

G

T

-

G

-

L

I

A

E

H

P

C

C

I

I

S

A

R

R

G

A

L

K

A

A

Y

Y

A
|
A

E

P

V

F

S
x
A

D

D

M

L

L

I

W
|
W

W

M

E
|
E

T

T

S

G

H

T

P

P

D

D

L

L

G

E

E

A

A

A

R

R

E

Q

F

F

A

S

E

E

A

A

V

V

H

K

K

A

K

E

F

Y

P

P

G

D

K
x
Q

L

M

L

L

A

A

Y

Y

N

N

C

C

S
|
S

P

P

S
|
S

F

F

N

N

W

W

R

K

A

K

K

H

L

L

D

D

K

D

A

A

T

T

I

I

E

A

K

K

F

F

Q

Q

R

K

E

E

L

L

G

A

A

A

M

M

G

G

Y

F

K

K

Y

F

Q

Q

F

F

V

I

T
|
T

L

L

A

A

G

G

F

F

H

H

S

A

L

L

N

N

L
x
Y

S
|
S

M

M

Y

F

E

D

L

L

A

A

L

Y

G

G

Y

Y

K

A

D

Q

R

N

G

Q

M

M

D

S

A

A

Y

Y

S

V

E

E

L

L

Q

Q

Q

E

A
x
R

E

E

F

F

D

A

L

A

E

E

A

E

K

R

G

G

Y

Y

S

T

A

A

T

T

R

K

H

H

Q

Q

R

R

E

E

V

V

G

G

T

A

G

G

Y

Y

F

F

D

D

A

R

V

I

S

A

V

T

A

T

I

V

S

D

G

P

G

N

A

-

S

S

T

T

A

A

M

L

G

T

E

G

S

S

T

T

E

E

S

E

A

G

Q

Q

F

F

active site: Y90 (= Y85), D109 (= D104), D154 (= D148), E156 (= E150), H181 (= H175), E183 (= E177), C192 (= C186), H194 (= H188), R229 (= R223), E286 (= E283), Q309 (≠ K306), S316 (= S313), S318 (= S315)
binding 3-nitropropanoic acid: Y357 (≠ L354), S358 (= S355), R380 (≠ A377)
binding magnesium ion: A277 (= A274), A280 (≠ S277), Q309 (≠ K306)
binding pyruvic acid: Y90 (= Y85), S92 (= S87), G93 (= G88), W94 (= W89), D154 (= D148), C192 (= C186), R229 (= R223), W284 (= W281), T348 (= T345)

P9WKK7 Isocitrate lyase; ICL; Isocitrase; Isocitratase; EC 4.1.3.1 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see 2 papers)
59% identity, 93% coverage: 18:426/438 of query aligns to 22:427/428 of P9WKK7

query
sites
P9WKK7

R

R

F

W

D

K

G

D

I

V

R

T

R

R

P

T

Y

Y

G

S

P

A

E

E

E

D

V

V

K

V

R

A

L

L

R

Q

G

G

S

S

F

V

P

V

I

E

A

E

Y

H

T

T

L

L

A

A

E

R

R

R

S

G

A

A

N

E

K

V

L

L

W

W

K

E

L

Q

M

L

Q

H

E

D

R

L

P

E

Y

W

V

V

H

N

S

A

L

L

G

G

A

A

V

L

T

T

G

G

N

N

Q

M

A

A

M

V

Q

Q

M

Q

A

V

R

R

A

A

G

G

L

L

E

K

A

A

I

I

Y

Y

L

L

S
|
S

G
|
G

W
|
W

Q

Q

V

V

A

A

A

G

D

D

A

A

N

N

V

L

A

S

G

G

A

H

M

T

Y

Y

P

P

D

D

Q

Q

S

S

L

L

Y

Y

P

P

A

A

N

N

S

S

G

V

P

P

E

Q

L

V

A

V

R

R

K

R

I

I

N

N

K

N

T

A

F

L

K

Q

R

R

V

A

D

D

E

Q

I

I

E

A

H

K

A

I

E

E

G

G

N

D

V

T

T

S

-

V

R

E

D

N

W

W

F

L

L

A

P

P

I

I

I

V

A

A

D
|
D

A

G

E

E

A

A

G

G

F

F

G

G

P

A

L

L

N

N

V

V

F

Y

E

E

I

L

M

Q

K

K

A

A

Y

L

I

I

E

A

A

A

G

G

V

V

A

A

A

G

V

S

H

H

F

W

E

E

D

D

Q

Q

L

L

A

A

S

S

E

E

K

K

C
|
C

G
|
G

H
|
H

L

L

G

G

K

K

V

V

L

L

L

I

P

P

T

T

A

Q

Q

Q

H

H

E

I

R

R

S

T

L

L

S

T

A

S

A

A

R

R

L

L

A

A

D

D

V

V

M

A

G

D

V

V

P

P

T

T

L

V

V

V

V

I

A

A

R
|
R

T

T

D

D

A

A

E

E

S

A

A

A

K

T

L

L

I

I

T

T

S

S

D

D

V

V

D

D

E

E

R

R

D

D

R

Q

P

P

F

F

I

I

I

T

P

G

D

E

S

-

R

R

T

T

P

R

E

E

G

G

F

F

Y

Y

R

R

L

T

K

K

D

N

G

G

T

-

G

-

L

I

A

E

H

P

C

C

I

I

S

A

R

R

G

A

L

K

A

A

Y

Y

A

A

E

P

V

F

S

A

D

D

M

L

L

I

W

W

W

M

E

E

T

T

S

G

H

T

P

P

D

D

L

L

G

E

E

A

A

A

R

R

E

Q

F

F

A

S

E

E

A

A

V

V

H

K

K

A

K

E

F

Y

P

P

G

D

K

Q

L

M

L

L

A

A

Y

Y

N
|
N

C
|
C

S
|
S

P
|
P

S
|
S

F

F

N

N

W

W

R

K

A

K

K

H

L

L

D

D

K

D

A

A

T

T

I

I

E

A

K

K

F

F

Q

Q

R
x
K

E

E

L

L

G

A

A

A

M

M

G

G

Y

F

K

K

Y

F

Q

Q

F

F

V

I

T
|
T

L

L

A

A

G

G

F

F

H

H

S

A

L

L

N

N

L

Y

S

S

M

M

Y

F

E

D

L

L

A

A

L

Y

G

G

Y

Y

K

A

D

Q

R

N

G

Q

M

M

D

S

A

A

Y

Y

S

V

E

E

L

L

Q

Q

Q

E

A

R

E

E

F

F

D

A

L

A

E

E

A

E

K

R

G

G

Y

Y

S

T

A

A

T

T

R

K

H

H

Q

Q

R

R

E

E

V

V

G

G

T

A

G

G

Y

Y

F

F

D

D

A

R

V

I

S

A

V

T

A

T

I

V

S

D

G

P

G

N

A

-

S

S

T

T

A

A

M

L

G

T

E

G

S

S

T

T

E

E

S

E

A

G

Q

Q

F

F

SGW 91:93 (= SGW 87:89) binding substrate
D153 (= D148) binding Mg(2+)
C191 (= C186) mutation to S: Adopts a conformation almost identical to the wild-type.
GH 192:193 (= GH 187:188) binding substrate
R228 (= R223) binding substrate
NCSPS 313:317 (= NCSPS 311:315) binding substrate
K334 (≠ R332) modified: Isoglutamyl lysine isopeptide (Lys-Gln) (interchain with Q-Cter in protein Pup)
T347 (= T345) binding substrate

1f8iA Crystal structure of isocitrate lyase:nitropropionate:glyoxylate complex from mycobacterium tuberculosis (see paper)
59% identity, 93% coverage: 18:426/438 of query aligns to 22:427/427 of 1f8iA

query
sites
1f8iA

R

R

F

W

D

K

G

D

I

V

R

T

R

R

P

T

Y

Y

G

S

P

A

E

E

E

D

V

V

K

V

R

A

L

L

R

Q

G

G

S

S

F

V

P

V

I

E

A

E

Y

H

T

T

L

L

A

A

E

R

R

R

S

G

A

A

N

E

K

V

L

L

W

W

K

E

L

Q

M

L

Q

H

E

D

R

L

P

E

Y

W

V

V

H

N

S

A

L

L

G

G

A

A

V

L

T

T

G

G

N

N

Q

M

A

A

M

V

Q

Q

M

Q

A

V

R

R

A

A

G

G

L

L

E

K

A

A

I

I

Y
|
Y

L

L

S
|
S

G

G

W
|
W

Q

Q

V

V

A

A

A

G

D

D

A

A

N

N

V

L

A

S

G

G

A

H

M

T

Y

Y

P

P

D
|
D

Q

Q

S

S

L

L

Y

Y

P

P

A

A

N

N

S

S

G

V

P

P

E

Q

L

V

A

V

R

R

K

R

I

I

N

N

K

N

T

A

F

L

K

Q

R

R

V

A

D

D

E

Q

I

I

E

A

H

K

A

I

E

E

G

G

N

D

V

T

T

S

-

V

R

E

D

N

W

W

F

L

L

A

P

P

I

I

I

V

A

A

D
|
D

A

G

E
|
E

A

A

G

G

F

F

G

G

P

A

L

L

N

N

V

V

F

Y

E

E

I

L

M

Q

K

K

A

A

Y

L

I

I

E

A

A

A

G

G

V

V

A

A

A

G

V

S

H
|
H

F

W

E
|
E

D

D

Q

Q

L

L

A

A

S

S

E

E

K

K

C
x
S

G

G

H
|
H

L

L

G

G

K

K

V

V

L

L

L

I

P

P

T

T

A

Q

Q

Q

H

H

E

I

R

R

S

T

L

L

S

T

A

S

A

A

R

R

L

L

A

A

D

D

V

V

M

A

G

D

V

V

P

P

T

T

L

V

V

V

V

I

A

A

R
|
R

T

T

D

D

A

A

E

E

S

A

A

A

K

T

L

L

I

I

T

T

S

S

D

D

V

V

D

D

E

E

R

R

D

D

R

Q

P

P

F

F

I

I

I

T

P

G

D

E

S

-

R

R

T

T

P

R

E

E

G

G

F

F

Y

Y

R

R

L

T

K

K

D

N

G

G

T

-

G

-

L

I

A

E

H

P

C

C

I

I

S

A

R

R

G

A

L

K

A

A

Y

Y

A

A

E

P

V

F

S

A

D

D

M

L

L

I

W

W

W

M

E
|
E

T

T

S

G

H

T

P

P

D

D

L

L

G

E

E

A

A

A

R

R

E

Q

F

F

A

S

E

E

A

A

V

V

H

K

K

A

K

E

F

Y

P

P

G

D

K
x
Q

L

M

L

L

A

A

Y

Y

N

N

C

C

S
|
S

P

P

S
|
S

F

F

N

N

W

W

R

K

A

K

K

H

L

L

D

D

K

D

A

A

T

T

I

I

E

A

K

K

F

F

Q

Q

R

K

E

E

L

L

G

A

A

A

M

M

G

G

Y

F

K

K

Y

F

Q

Q

F

F

V

I

T
|
T

L

L

A

A

G

G

F

F

H

H

S

A

L

L

N

N

L

Y

S

S

M

M

Y

F

E

D

L

L

A

A

L

Y

G

G

Y

Y

K

A

D

Q

R

N

G

Q

M

M

D

S

A

A

Y

Y

S

V

E

E

L

L

Q

Q

Q

E

A

R

E

E

F

F

D

A

L

A

E

E

A

E

K

R

G

G

Y

Y

S

T

A

A

T

T

R

K

H

H

Q

Q

R

R

E

E

V

V

G

G

T

A

G

G

Y

Y

F

F

D

D

A

R

V

I

S

A

V

T

A

T

I

V

S

D

G

P

G

N

A

-

S

S

T

T

A

A

M

L

G

T

E

G

S

S

T

T

E

E

S

E

A

G

Q

Q

F

F

active site: Y89 (= Y85), D108 (= D104), D153 (= D148), E155 (= E150), H180 (= H175), E182 (= E177), S191 (≠ C186), H193 (= H188), R228 (= R223), E285 (= E283), Q308 (≠ K306), S315 (= S313), S317 (= S315)
binding glyoxylic acid: Y89 (= Y85), S91 (= S87), W93 (= W89), D153 (= D148), T347 (= T345)

P0A9G6 Isocitrate lyase; ICL; Isocitrase; Isocitratase; EC 4.1.3.1 from Escherichia coli (strain K12) (see 3 papers)
58% identity, 97% coverage: 4:426/438 of query aligns to 5:434/434 of P0A9G6

query
sites
P0A9G6

T

T

E

Q

S

Q

F

I

Q

E

D

E

L

L

I

Q

P

K

S

E

A

W

P

T

A

Q

G

P

R

R

F

W

D

E

G

G

I

I

R

T

R

R

P

P

Y

Y

G

S

P

A

E

E

E

D

V

V

K

V

R

K

L

L

R

R

G

G

S

S

F

V

P

N

I

P

A

E

Y

C

T

T

L

L

A

A

E

Q

R

L

S

G

A

A

N

A

K

K

L

M

W

W

K

R

L

L

M

L

Q

H

-

G

-

E

-

S

E

K

R

K

P

G

Y

Y

V

I

H

N

S

S

L

L

G

G

A

A

V

L

T

T

G

G

N

G

Q

Q

A

A

M

L

Q

Q

M

Q

A

A

R

K

A

A

G

G

L

I

E

E

A

A

I

V

Y

Y

L

L

S
|
S

G
|
G

W
|
W

Q

Q

V

V

A

A

D

D

A

A

N

N

V

L

A

A

G

A

A

S

M

M

Y

Y

P

P

D

D

Q

Q

S

S

L

L

Y

Y

P

P

A

A

N

N

S

S

G

V

P

P

E

A

L

V

A

V

R

E

K

R

I

I

N

N

K

N

T

T

F

F

K

R

R

R

V

A

D

D

E

Q

I

I

E

Q

H

W

A

S

E

A

G

G

-

I

-

E

-

P

-

G

-

D

N

P

V

R

T

Y

R

V

D

D

W

Y

F

F

L

L

P

P

I

I

I

V

A

A

D
|
D

A

A

E

E

A

A

G

G

F

F

G

G

P

V

L

L

N

N

V

A

F

F

E

E

I

L

M

M

K

K

A

A

Y

M

I

I

E

E

A

A

G

G

V

A

A

A

V

V

H

H

F

F

E

E

D

D

Q

Q

L

L

A

A

S

S

E

V

K

K

C
|
C

G

G

H

H

L

M

G

G

K

K

V

V

L

L

L

V

P

P

T

T

A

Q

Q

E

H

A

E

I

R

Q

S

K

L

L

S

V

A

A

R

R

L

L

A
|
A

A

A

D

D

V

V

M

T

G

G

V

V

P

P

T

T

L

L

V

L

V

V

A

A

R
|
R

T

T

D

D

A

A

E

D

S

A

A

A

K

D

L

L

I

I

T

T

S

S

D

D

V

C

D

D

E

P

R

Y

D

D

R

S

P

E

F

F

I

I

I

T

P

G

D

E

S

-

R

R

T

T

P

S

E

E

G

G

F

F

Y

F

R

R

L

T

K

H

D

-

G

-

T

A

G

G

L

I

A

E

H

Q

C

A

I

I

S

S

R

R

G

G

L

L

A

A

Y

Y

A

A

E

P

V

Y

S

A

D

D

M

L

L

V

W

W

W

C

E

E

T

T

S

S

H

T

P

P

D

D

L

L

G

E

E

L

A

A

R

R

E

R

F

F

A

A

E

Q

A

A

V

I

H

H

K

A

K

K

F

Y

P

P

G

G

K

K

L

L

A

A

Y

Y

N

N

C

C

S

S

P

P

S

S

F

F

N

N

W

W

R

Q

A

K

K

N

L

L

D

D

K

D

A

K

T

T

I

I

E

A

K

S

F

F

Q

Q

R

Q

E

Q

L

L

G

S

A

D

M

M

G

G

Y

Y

K

K

Y

F

Q

Q

F

F

V

I

T

T

L

L

A

A

G

G

F

I

H

H

S

S

L

M

N

W

L

F

S

N

M

M

Y

F

E

D

L

L

A

A

L

N

G

A

Y

Y

-

A

K

Q

D

G

R

E

G

G

M

M

D

K

A

H

Y

Y

S

V

E

E

-

K

L

V

Q

Q

A

P

E

E

F

F

D

A

L

A

E

A

A

K

K

D

G

G

Y

Y

S

T

A

F

T

V

R

S

H

H

Q

Q

R

Q

E

E

V

V

G

G

T

T

G

G

Y

Y

F

F

D

D

A

K

V

V

S

T

V

T

A

I

I

I

S

Q

G

G

A

T

S

S

T

V

T

T

A

A

M

L

G

T

E

G

S

S

T

T

E

E

S

E

A

S

Q

Q

F

F

SGW 91:93 (= SGW 87:89) binding substrate
D157 (= D148) binding Mg(2+)
C195 (= C186) active site, Proton acceptor; mutation to A: Large decrease in activity.; mutation to S: Large decrease in activity.
A219 (= A210) mutation to C: Isocitrate lyase activity is reduced compared to the wild-type.
R232 (= R223) binding substrate

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

1igwC Crystal structure of the isocitrate lyase from the a219c mutant of escherichia coli (see paper)
57% identity, 93% coverage: 2:409/438 of query aligns to 2:416/416 of 1igwC

query
sites
1igwC

S

T

T

R

T

T

E

Q

S

Q

F

I

Q

E

D

E

L

L

I

Q

P

K

S

E

A

W

P

T

A

Q

G

P

R

R

F

W

D

E

G

G

I

I

R

T

R

R

P

P

Y

Y

G

S

P

A

E

E

E

D

V

V

K

V

R

K

L

L

R

R

G

G

S

S

F

V

P

N

I

P

A

E

Y

C

T

T

L

L

A

A

E

Q

R

L

S

G

A

A

N

A

K

K

L

M

W

W

K

R

L

L

M

L

Q

H

-

G

-

E

-

S

E

K

R

K

P

G

Y

Y

V

I

H

N

S

S

L

L

G

G

A

A

V

L

T

T

G

G

N

G

Q

Q

A

A

M

L

Q

Q

M

Q

A

A

R

K

A

A

G

G

L

I

E

E

A

A

I

V

Y
|
Y

L

L

S
|
S

G
|
G

W
|
W

Q

Q

V

V

A

A

D

D

A

A

N

N

V

L

A

A

G

A

A

S

M

M

Y

Y

P

P

D
|
D

Q

Q

S

S

L

L

Y

Y

P

P

A

A

N

N

S

S

G

V

P

P

E

A

L

V

A

V

R

E

K

R

I

I

N

N

K

N

T

T

F

F

K

R

R

R

V

A

D

D

E

Q

I

I

E

Q

H

W

A

S

E

A

G

G

-

I

-

E

-

P

-

G

-

D

N

P

V

R

T

Y

R

V

D

D

W

Y

F

F

L

L

P

P

I

I

I

V

A

A

D
|
D

A

A

E
|
E

A

A

G

G

F

F

G

G

P

V

L

L

N

N

V

A

F

F

E

E

I

L

M

M

K

K

A

A

Y

M

I

I

E

E

A

A

G

G

V

A

A

A

V

V

H
|
H

F

F

E
|
E

D

D

Q

Q

L

L

A

A

S

S

E

V

K

K

C
|
C

G

G

H

H

L

M

G

G

K

K

V

V

L

L

L

V

P

P

T

T

A

Q

Q

E

H

A

E

I

R

Q

S

K

L

L

S

V

A

A

R

R

L

L

A

C

A

A

D

D

V

V

M

T

G

G

V

V

P

P

T

T

L

L

V

L

V

V

A

A

R
|
R

T

T

D

D

A

A

E

D

S

A

A

A

K

D

L

L

I

I

T

T

S

S

D

D

V

C

D

D

E

P

R

Y

D

D

R

S

P

E

F

F

I

I

I

T

P

G

D

E

S

-

R

R

T

T

P

S

E

E

G

G

F

F

Y

F

R

R

L

T

K

H

D

-

G

-

T

A

G

G

L

I

A

E

H

Q

C

A

I

I

S

S

R

R

G

G

L

L

A

A

Y

Y

A

A

E

P

V

Y

S

A

D

D

M

L

L

V

W

W

W

C

E
|
E

T

T

S

S

H

T

P

P

D

D

L

L

G

E

E

L

A

A

R

R

E

R

F

F

A

A

E

Q

A

A

V

I

H

H

K

A

K

K

F

Y

P

P

G

G

K
|
K

L

L

A

A

Y

Y

N

N

C

C

S
|
S

P

P

S
|
S

F

F

N

N

W

W

R

Q

A

K

K

N

L

L

D

D

K

D

A

K

T

T

I

I

E

A

K

S

F

F

Q

Q

R

Q

E

Q

L

L

G

S

A

D

M

M

G

G

Y

Y

K

K

Y

F

Q

Q

F

F

V

I

T
|
T

L

L

A

A

G

G

F

I

H

H

S

S

L

M

N

W

L

F

S

N

M

M

Y

F

E

D

L

L

A

A

L

N

G

A

Y

Y

-

A

K

Q

D

G

R

E

G

G

M

M

D

K

A

H

Y

Y

S

V

E

E

-

K

L

V

Q

Q

A

P

E

E

F

F

D

A

L

A

E

A

A

K

K

D

G

G

Y

Y

S

T

A

F

T

V

R

S

H

H

Q

Q

R

Q

E

E

V

V

G

G

T

T

G

G

Y

Y

F

F

D

D

A

K

V

V

S

T

V

T

A

I

I

I

S

Q

G

G

active site: Y88 (= Y85), D107 (= D104), D156 (= D148), E158 (= E150), H183 (= H175), E185 (= E177), C194 (= C186), R231 (= R223), E288 (= E283), K311 (= K306), S318 (= S313), S320 (= S315)
binding pyruvic acid: S90 (= S87), G91 (= G88), W92 (= W89), D156 (= D148), R231 (= R223), T350 (= T345)

1igwA Crystal structure of the isocitrate lyase from the a219c mutant of escherichia coli (see paper)
54% identity, 93% coverage: 2:409/438 of query aligns to 2:396/396 of 1igwA

query
sites
1igwA

S

T

T

R

T

T

E

Q

S

Q

F

I

Q

E

D

E

L

L

I

Q

P

K

S

E

A

W

P

T

A

Q

G

P

R

R

F

W

D

E

G

G

I

I

R

T

R

R

P

P

Y

Y

G

S

P

A

E

E

E

D

V

V

K

V

R

K

L

L

R

R

G

G

S

S

F

V

P

N

I

P

A

E

Y

C

T

T

L

L

A

A

E

Q

R

L

S

G

A

A

N

A

K

K

L

M

W

W

K

R

L

L

M

L

Q

H

-

G

-

E

-

S

E

K

R

K

P

G

Y

Y

V

I

H

N

S

S

L

L

G

G

A

A

V

L

T

T

G

G

N

G

Q

Q

A

A

M

L

Q

Q

M

Q

A

A

R

K

A

A

G

G

L

I

E

E

A

A

I

V

Y
|
Y

L

L

S
|
S

G

G

W
|
W

Q

Q

V

V

A

A

D

D

A

A

N

N

V

L

A

A

G

A

A

S

M

M

Y

Y

P

P

D
|
D

Q

Q

S

S

L

L

Y

Y

P

P

A

A

N

N

S

S

G

V

P

P

E

A

L

V

A

V

R

E

K

R

I

I

N

N

K

N

T

T

F

F

K

R

R

R

V

A

D

D

E

Q

I

I

E

Q

H

W

A

S

E

A

G

G

-

I

-

E

-

P

-

G

-

D

N

P

V

R

T

Y

R

V

D

D

W

Y

F

F

L

L

P

P

I

I

I

V

A

A

D
|
D

A

A

E
|
E

A

A

G

G

F

F

G

G

P

V

L

L

N

N

V

A

F

F

E

E

I

L

M

M

K

K

A

A

Y

M

I

I

E

E

A

A

G

G

V

A

A

A

V

V

H
|
H

F

F

E
|
E

D

D

Q

Q

L

L

A

A

S

S

E

V

K

K

C
|
C

G

-

H

-

L

-

G

-

G

G

K

K

V

V

L

L

L

V

P

P

T

T

A

Q

Q

E

H

A

E

I

R

Q

S

K

L

L

S

V

A

A

R

R

L

L

A

C

A

A

D

D

V

V

M

T

G

G

V

V

P

P

T

T

L

L

V

L

V

V

A

A

R
|
R

T

T

D

D

A

A

E

D

S

A

A

A

K

D

L

L

I

I

T

T

S

S

D

D

V

C

D

D

E

P

R

Y

D

D

R

S

P

E

F

F

I

I

I

T

P

G

D

E

S

-

R

R

T

T

P

S

E

E

G

G

F

F

Y

F

R

R

L

T

K

H

D

-

G

-

T

A

G

G

L

I

A

E

H

Q

C

A

I

I

S

S

R

R

G

G

L

L

A

A

Y

Y

A

A

E

P

V

Y

S

A

D

D

M

L

L

V

W

W

W

C

E
|
E

T

T

S

S

H

T

P

P

D

D

L

L

G

E

E

L

A

A

R

R

E

R

F

F

A

A

E

Q

A

A

V

I

H

H

K

A

K

K

F

Y

P

P

G

G

K
|
K

L

L

A

A

Y

Y

N

N

C

C

S

S

P

-

S

-

F

-

N

-

W

-

R

-

A

-

K

-

L

-

D

-

K

-

A

-

T

-

I

-

E

-

K

-

F

F

Q

Q

R

Q

E

Q

L

L

G

S

A

D

M

M

G

G

Y

Y

K

K

Y

F

Q

Q

F

F

V

I

T
|
T

L

L

A

A

G

G

F

I

H

H

S

S

L

M

N

W

L

F

S

N

M

M

Y

F

E

D

L

L

A

A

L

N

G

A

Y

Y

-

A

K

Q

D

G

R

E

G

G

M

M

D

K

A

H

Y

Y

S

V

E

E

-

K

L

V

Q

Q

A

P

E

E

F

F

D

A

L

A

E

A

A

K

K

D

G

G

Y

Y

S

T

A

F

T

V

R

S

H

H

Q

Q

R

Q

E

E

V

V

G

G

T

T

G

G

Y

Y

F

F

D

D

A

K

V

V

S

T

V

T

A

I

I

I

S

Q

G

G

active site: Y88 (= Y85), D107 (= D104), D156 (= D148), E158 (= E150), H183 (= H175), E185 (= E177), C194 (= C186), R227 (= R223), E284 (= E283), K307 (= K306)
binding pyruvic acid: S90 (= S87), W92 (= W89), D156 (= D148), R227 (= R223), T330 (= T345)

5e9fD Structural insights of isocitrate lyases from magnaporthe oryzae (see paper)
34% identity, 89% coverage: 18:408/438 of query aligns to 30:453/453 of 5e9fD

query
sites
5e9fD

R

R

F

W

D

R

G

Y

I

T

R

K

R

R

P

P

Y

F

G

T

P

A

E

E

E

Q

V

I

K

V

R

S

L

K

R

R

G

G

S

N

F

L

P

K

I

I

A

E

Y

Y

T

P

L

-

A

S

E

N

R

A

S

Q

A

S

N

K

K

K

L

L

W

W

K

K

L

I

M

L

-

E

-

G

-

R

-

F

Q

Q

E

K

R

R

P

D

Y

A

V

S

H

Y

S

T

L

Y

G

G

A

C

V

L

T

E

G

P

N

T

Q

M

A

V

M

T

Q

Q

M

M

A

A

R

K

A

Y

G

-

L

L

E

D

A

T

I

V

Y
|
Y

L

V

S

S

G

G

W

W

Q

Q

V

S

A

S

D

T

A

A

N

S

V

S

A

S

G

D

A

E

M

P

Y

G

P

P

D
|
D

Q

L

S

A

L

D

Y

Y

P

P

A

Y

N

T

S

T

G

V

P

P

E

N

-

K

-

V

-

S

-

H

-

L

-

F

L

M

A

A

R

Q

K

L

I

F

N

H

K

D

T

R

F

K

K

Q

R

R

V

H

D

E

E

R

I

L

E

S

H

A

A

P

E

K

G

S

N

E

V

R

T

S

R

K

-

L

-

Q

-

N

-

I

D

D

W

Y

F

L

L

R

P

P

I

I

A

A

D
|
D

A

A

E
x
D

A

T

G

G

F

H

G

G

P

L

L

T

N

A

V

V

F

M

E

K

I

L

M

T

K

K

A

L

Y

F

I

I

E

E

A

K

G

G

V

A

A

A

A

G

V

I

H
|
H

F

I

E
|
E

D

D

Q

Q

L

A

A

P

S

G

E

T

K

-

C

-

G

-

H

-

L

-

G

-

G

G

K

K

V

V

L

L

L

V

P

P

T

I

A

S

Q

E

H

H

E

I

R

N

S

R

L

L

S

V

A

A

A

I

R

R

L

A

A

Q

A

A

D

D

V

I

M

M

G

G

V

V

P

D

T

L

L

L

V

A

V

I

A

A

R
|
R

T

T

D

D

A

A

E

E

S

A

A

A

K

T

L

L

I

I

T

T

S

T

D

S

V

I

D

D

E

P

R

R

D

D

R

H

P

A

F

F

I

I

I

L

-

G

-

C

-

T

-

N

-

P

-

S

-

L

-

Q

-

L

-

K

-

R

-

F

-

D

-

G

-

K

-

S

-

N

-

R

-

E

-

A

-

R

-

A

-

I

-

A

-

S

-

L

-

G

-

F

-

D

-

W

P

D

D

S

S

P

R

R

T

T

P

R

E

E

G

G

F

Y

Y

F

R

R

L

I

K

K

D

G

G

G

T

C

G

D

L

C

A

A

H

-

C

-

I

I

S

N

R

R

G

A

L

I

A

A

Y

Y

A

A

E

P

V

Y

S

A

D

D

M

A

L

I

W

W

W

M

E
|
E

T

S

S

K

H

L

P

P

D

D

L

Y

G

E

E

Q

A

A

R

K

E

E

F

F

A

A

E

E

A

G

V

V

H

H

K

A

K

V

F

Y

P

P

G

E

K
x
Q

L

K

L

L

A

A

Y

Y

N

N

C

L

S
|
S

P

P

S
|
S

F

F

N

N

W

W

R

K

A

T

K

A

L

M

D

P

K

R

A

D

T

E

I

Q

E

E

K

T

F

Y

Q

I

R

R

E

R

L

L

G

A

A

G

M

L

G

G

Y

Y

K

C

Y

W

Q

Q

F

F

V

I

T

T

L

L

A

A

G

G

F

L

H

H

S

T

L

T

N

A

L

L

S

I

M

S

Y

D

E

R

L

F

A

A

L

R

G

A

Y

Y

K

S

D

E

R

V

G

G

M

M

D

R

A

A

Y

Y

S

G

E

E

L

L

-

V

Q

Q

Q

E

A

P

E

E

F

M

D

E

L

L

E

-

A

-

K

-

G

G

Y

V

S

D

A

V

T

V

R

K

H

H

Q

Q

R

K

E

W

V

S

G

G

T

A

G

T

Y

Y

F

V

D

D

A

E

V

L

S

Q

V

K

A

M

I

V

S

T

active site: Y99 (= Y85), D118 (= D104), D172 (= D148), D174 (≠ E150), H199 (= H175), E201 (= E177), R240 (= R223), E330 (= E283), Q353 (≠ K306), S360 (= S313), S362 (= S315)
binding magnesium ion: D118 (= D104), D172 (= D148)

5e9gD Structural insights of isocitrate lyases from magnaporthe oryzae (see paper)
31% identity, 89% coverage: 18:409/438 of query aligns to 31:486/486 of 5e9gD

query
sites
5e9gD

R

R

F

W

D

R

G

Y

I

T

R

K

R

R

P

P

Y

F

G

T

P

A

E

E

E

Q

V

I

K

V

R

S

L

K

R

R

G

G

S

N

F

L

P

K

I

I

A

E

Y

Y

T

P

L

-

A

S

E

N

R

A

S

Q

A

S

N

K

K

K

L

L

W

W

K

K

L

I

M

L

-

E

-

G

-

R

-

F

Q

Q

E

K

R

R

P

D

Y

A

V

S

H

Y

S

T

L

Y

G

G

A

C

V

L

T

E

G

P

N

T

Q

M

A

V

M

T

Q

Q

M

M

A

A

R

K

A

Y

G

-

L

L

E

D

A

T

I

V

Y
|
Y

L

V

S
|
S

G
|
G

W
|
W

Q

Q

V

S

A

S

D

T

A

A

N

S

V

S

A

S

G

D

A

E

M

P

Y

G

P

P

D
|
D

Q

L

S

A

L

D

Y

Y

P

P

A

Y

N

T

S

T

G

V

P

P

E

N

-

K

-

V

-

S

-

H

-

L

-

F

L

M

A

A

R

Q

K

L

I

F

N

H

K

D

T

R

F

K

K

Q

R

R

V

H

D

E

E

R

I

L

E

S

H

A

A

P

E

K

G

S

N

E

V

R

T

S

R

K

-

L

-

Q

-

N

-

I

D

D

W

Y

F

L

L

R

P

P

I

I

A

A

D
|
D

A

A

E
x
D

A

T

G

G

F

H

G

G

P

L

L

T

N

A

V

V

F

M

E

K

I

L

M

T

K

K

A

L

Y

F

I

I

E

E

A

K

G

G

V

A

A

A

A

G

V

I

H
|
H

F

I

E
|
E

D

D

Q

Q

L

A

A

P

S

G

E

T

K

K

C
|
C

G
|
G

H
|
H

L

M

G

G

K

K

V

V

L

L

L

V

P

P

T

I

A

S

Q

E

H

H

E

I

R

N

S

R

L

L

S

V

A

A

A

I

R

R

-

A

-

Q

-

A

-

D

-

I

L

M

A

G

A

V

D

D

V

L

M

L

G

A

V

I

P

A

-
x
R

-

T

-

D

-

A

-

E

-

A

T

T

L

L

V

I

V

T

A

T

R

S

T

I

D

D

A

P

E

R

S

D

A

H

K

A

L

F

I

I

T

L

S

G

D

C

V

T

D

N

E

P

R

S

D

L

R

Q

P

P

-

L

-

A

-

D

-

L

-

M

-

N

-

E

-

W

-

M

-

A

-

K

-

A

-

N

-

L

-

K

-

R

-

F

-

D

-

A

-

V

-

D

-

A

-

K

-

Y

-

L

-

Q

-

A

-

K

-

G

-

K

-

S

-

N

-

R

-

E

-

A

-

R

-

A

-

I

-

A

-

S

F

F

I

F

I

D

P

W

D

D

S

S

-

P

R

R

T

T

P

R

E

E

G

G

F

Y

Y

F

R

R

L

I

K

K

D

G

G

G

T

C

G

D

L

C

A

A

H

-

C

-

I

I

S

N

R

R

G

A

L

I

A

A

Y

Y

A

A

E

P

V

Y

S

A

D

D

M

A

L

I

W

W

W

M

E
|
E

T

S

S

K

H

L

P

P

D

D

L

Y

G

E

E

Q

A

A

R

K

E

E

F

F

A

A

E

E

A

G

V

V

H

H

K

A

K

V

F

Y

P

P

G

E

K
x
Q

L

K

L

L

A

A

Y

Y

N

N

C

L

S
|
S

P

P

S
|
S

F

F

N

N

W

W

R

K

A

A

K

-

L

M

D

P

K

R

A

D

T

E

I

Q

E

E

K

T

F

Y

Q

I

R

R

E

R

L

L

G

A

A

G

M

L

G

G

Y

Y

K

C

Y

W

Q

Q

F

F

V

I

T
|
T

L

L

A

A

G

G

F

L

H

H

S

T

L

T

N

A

L

L

S

I

M

S

Y

D

E

R

L

F

A

A

L

R

G

A

Y

Y

K

S

D

E

R

V

G

G

M

M

D

R

A

A

Y

Y

S

G

E

E

L

L

-

V

Q

Q

Q

E

A

P

E

E

F

M

D

E

L

L

E

-

A

-

K

-

G

G

Y

V

S

D

A

V

T

V

R

K

H

H

Q

Q

R

K

E

W

V

S

G

G

T

A

G

T

Y

Y

F

V

D

D

A

E

V

L

S

Q

V

K

A

M

I

V

S

T

G

G

active site: Y100 (= Y85), D119 (= D104), D173 (= D148), D175 (≠ E150), H200 (= H175), E202 (= E177), C211 (= C186), H213 (= H188), R248 (vs. gap), E363 (= E283), Q386 (≠ K306), S393 (= S313), S395 (= S315)
binding glyoxylic acid: Y100 (= Y85), S102 (= S87), G103 (= G88), W104 (= W89), D173 (= D148), H200 (= H175), R248 (vs. gap), T424 (= T345)
binding glycerol: C211 (= C186), G212 (= G187), H213 (= H188), R248 (vs. gap)

8z1rB Isocitrate lyase momcl1
40% identity, 52% coverage: 18:245/438 of query aligns to 22:261/516 of 8z1rB

query
sites
8z1rB

R

R

F

Y

D

A

G

G

I

I

R

T

R

R

P

P

Y

Y

G

T

P

A

E

A

E

D

V

V

K

V

R

S

L

A

R

R

G

G

S

S

F

Q

P

Q

I

Q

A

S

Y

Y

T

P

L

-

A

S

E

S

R

T

S

M

A

A

N

R

K

K

L

L

W

W

K

N

L

L

M

I

Q

Q

E

E

R

R

P

K

Y

A

-

E

-

G

-

K

-

P

V

I

H

H

S

T

L

L

G

G

A

A

V

I

T

D

G

P

N

I

Q

Q

A

M

M

T

Q

Q

M

Q

A

A

R

-

A

A

G

H

L

Q

E

E

A

V

I

L

Y

Y

L

V

S

S

G

G

W

W

Q

A

V

C

A

S

D

V

A

L

N

T

V

S

A

T

G

N

A

E

M

V

Y

S

P

P

D

D

Q

F

S

G

L

D

Y

Y

P

P

A

Y

N

N

S

T

G

V

P

P

E

N

L

Q

A

V

R

Q

K

R

I

L

N

A

K

K

T

A

-

Q

-

S

-

M

-

H

-

D

-

R

-

K

-

H

-

W

-

D

F

A

K

R

R

R

V

K

D

M

E

S

I

A

E

Q

H

E

A

R

E

S

G

S

N

T

V

P

T

Y

R

T

D

D

W

Y

F

L

L

R

P

P

I

I

A

A

D
|
D

A

G

E
x
D

A

T

G

G

F

H

G

G

P

L

L

T

N

A

V

V

F

T

E

K

I

L

M

A

K

K

A

L

Y

F

I

A

E

E

A

A

G

G

V

A

A

A

V

V

H

H

F

F

E

E

D

D

Q

Q

L

M

A

H

S

G

E

G

K

K

C

C

G

G

H

H

L

L

G

A

G

G

K

K

V

V

L

L

L

V

P

S

T

T

A

G

Q

E

H

H

E

I

R

N

S

R

L

L

S

T

A

A

R

R

L

M

A

Q

A

W

D

D

V

I

M

M

G

G

V

T

P

E

T

N

L

L

V

V

V

I

A

A

R

R

T

T

D

D

A

S

E

E

S

S

A

G

K

R

L

L

I

I

T

S

S

N

D

N

V

I

D

D

E

A

R

R

D

D

R

H

P

E

F

F

I

I

I

L

binding magnesium ion: D164 (= D148), D166 (≠ E150)

6edwB Crystal structure of mycobacterium tuberculosis icl2 in the apo form (see paper)
38% identity, 53% coverage: 16:245/438 of query aligns to 20:263/746 of 6edwB

query
sites
6edwB

A

S

G

S

R

R

F

F

D

A

G

G

I

I

R

I

R

R

P

L

Y

Y

G

T

P

A

E

R

E

Q

V

V

K

V

R

E

L

Q

R

R

G

G

S

T

F

I

P

P

I

V

A

D

Y

H

T

I

L

V

A

A

E

R

R

E

S

A

A

A

N

G

K

A

L

F

W

Y

K

E

L

R

M

L

Q

R

E

E

-

L

-

F

-

A

R

R

P

K

Y

S

V

I

H

T

S

T

L

F

G

G

A

P

V

Y

T

S

G

P

N

G

Q

Q

A

A

M

V

Q

S

M

M

A

K

R

R

A

M

G

G

L

I

E

E

A

A

I

I

Y
|
Y

L

L

S

G

G

G

W

W

Q

A

V

T

A

S

A

A

D

K

A

G

N

S

V

S

A

T

G

E

A

D

M

P

Y

G

P

P

D
|
D

Q

L

S

A

L

S

Y

Y

P

P

A

L

N

S

S

Q

G

V

P

P

E

D

-

D

-

A

-

V

L

L

A

V

R

R

K

A

I

L

-

L

-

T

-

A

-

D

-

R

N

N

K

Q

T

H

F

Y

K

L

R

R

V

L

D

Q

E

M

I

S

E

E

H

R

A

Q

E

R

G

A

N

A

V

T

T

P

R

A

D

Y

W

D

F

F

L

R

P

P

-

F

I

I

A

A

D
|
D

A

A

E
x
D

A

T

G

G

F

H

G

G

P

D

L

P

N

H

V

V

F

R

E

N

I

L

M

I

K

R

A

R

Y

F

I

V

E

E

A

V

G

G

V

V

A

P

A

G

V

Y

H
|
H

F

I

E
|
E

D

D

Q

Q

L

R

A

P

S

G

E

T

K

K

C
|
C

G

G

H
|
H

L

Q

G

G

K

K

V

V

L

L

L

V

P

P

T

S

A

D

Q

E

H

Q

E

I

R

K

S

R

L

L

S

N

A

A

R

R

L

F

A

Q

A

L

D

D

V

I

M

M

G

R

V

V

P

P

T

G

L

I

V

I

V

V

A

A

R
|
R

T

T

D

D

A

A

E

E

S

A

A

A

K

N

L

L

I

I

T

D

S

S

D

R

V

A

D

D

E

E

R

R

D

D

R

Q

P

P

F

F

I

L

active site: Y93 (= Y85), D112 (= D104), D166 (= D148), D168 (≠ E150), H193 (= H175), E195 (= E177), C204 (= C186), H206 (= H188), R241 (= R223)

Sites not aligning to the query:

active site: 448, 471, 478, 480
binding magnesium ion: 439, 442, 471

6edzA Crystal structure of mycobacterium tuberculosis icl2 in complex with acetyl-coa, form i (see paper)
38% identity, 53% coverage: 16:245/438 of query aligns to 20:263/733 of 6edzA

query
sites
6edzA

A

S

G

S

R

R

F

F

D

A

G

G

I

I

R

I

R

R

P

L

Y

Y

G

T

P

A

E

R

E

Q

V

V

K

V

R

E

L

Q

R

R

G

G

S

T

F

I

P

P

I

V

A

D

Y

H

T

I

L

V

A

A

E

R

R

E

S

A

A

A

N

G

K

A

L

F

W

Y

K

E

L

R

M

L

Q

R

E

E

-

L

-

F

-

A

R

R

P

K

Y

S

V

I

H

T

S

T

L

F

G

G

A

P

V

Y

T

S

G

P

N

G

Q

Q

A

A

M

V

Q

S

M

M

A

K

R

R

A

M

G

G

L

I

E

E

A

A

I

I

Y
|
Y

L

L

S

G

G

G

W

W

Q

A

V

T

A

S

A

A

D

K

A

G

N

S

V

S

A

T

G

E

A

D

M

P

Y

G

P

P

D
|
D

Q

L

S

A

L

S

Y

Y

P

P

A

L

N

S

S

Q

G

V

P

P

E

D

-

D

-

A

-

V

L

L

A

V

R

R

K

A

I

L

-

L

-

T

-

A

-

D

-

R

N

N

K

Q

T

H

F

Y

K

L

R

R

V

L

D

Q

E

M

I

S

E

E

H

R

A

Q

E

R

G

A

N

A

V

T

T

P

R

A

D

Y

W

D

F

F

L

R

P

P

-

F

I

I

A

A

D
|
D

A

A

E
x
D

A

T

G

G

F

H

G

G

P

D

L

P

N

H

V

V

F

R

E

N

I

L

M

I

K

R

A

R

Y

F

I

V

E

E

A

V

G

G

V

V

A

P

A

G

V

Y

H
|
H

F

I

E
|
E

D

D

Q

Q

L

R

A

P

S

G

E

T

K

K

C
|
C

G

G

H
|
H

L

Q

G

G

K

K

V

V

L

L

L

V

P

P

T

S

A

D

Q

E

H

Q

E

I

R

K

S

R

L

L

S

N

A

A

R

R

L

F

A

Q

A

L

D

D

V

I

M

M

G

R

V

V

P

P

T

G

L

I

V

I

V

V

A

A

R
|
R

T

T

D

D

A

A

E

E

S

A

A

A

K

N

L

L

I

I

T

D

S

S

D

R

V

A

D

D

E

E

R

R

D

D

R

Q

P

P

F

F

I

L

active site: Y93 (= Y85), D112 (= D104), D166 (= D148), D168 (≠ E150), H193 (= H175), E195 (= E177), C204 (= C186), H206 (= H188), R241 (= R223)

Sites not aligning to the query:

active site: 437, 460, 467, 469
binding acetyl coenzyme *a: 643, 644, 645, 646, 652, 653, 655, 657, 658, 679, 681, 682, 684, 688, 692, 732

6edwC Crystal structure of mycobacterium tuberculosis icl2 in the apo form (see paper)
38% identity, 53% coverage: 16:245/438 of query aligns to 20:263/724 of 6edwC

query
sites
6edwC

A

S

G

S

R

R

F

F

D

A

G

G

I

I

R

I

R

R

P

L

Y

Y

G

T

P

A

E

R

E

Q

V

V

K

V

R

E

L

Q

R

R

G

G

S

T

F

I

P

P

I

V

A

D

Y

H

T

I

L

V

A

A

E

R

R

E

S

A

A

A

N

G

K

A

L

F

W

Y

K

E

L

R

M

L

Q

R

E

E

-

L

-

F

-

A

R

R

P

K

Y

S

V

I

H

T

S

T

L

F

G

G

A

P

V

Y

T

S

G

P

N

G

Q

Q

A

A

M

V

Q

S

M

M

A

K

R

R

A

M

G

G

L

I

E

E

A

A

I

I

Y
|
Y

L

L

S

G

G

G

W

W

Q

A

V

T

A

S

A

A

D

K

A

G

N

S

V

S

A

T

G

E

A

D

M

P

Y

G

P

P

D
|
D

Q

L

S

A

L

S

Y

Y

P

P

A

L

N

S

S

Q

G

V

P

P

E

D

-

D

-

A

-

V

L

L

A

V

R

R

K

A

I

L

-

L

-

T

-

A

-

D

-

R

N

N

K

Q

T

H

F

Y

K

L

R

R

V

L

D

Q

E

M

I

S

E

E

H

R

A

Q

E

R

G

A

N

A

V

T

T

P

R

A

D

Y

W

D

F

F

L

R

P

P

-

F

I

I

A

A

D
|
D

A

A

E
x
D

A

T

G

G

F

H

G

G

P

D

L

P

N

H

V

V

F

R

E

N

I

L

M

I

K

R

A

R

Y

F

I

V

E

E

A

V

G

G

V

V

A

P

A

G

V

Y

H
|
H

F

I

E
|
E

D

D

Q

Q

L

R

A

P

S

G

E

T

K

K

C
|
C

G

G

H
|
H

L

Q

G

G

K

K

V

V

L

L

L

V

P

P

T

S

A

D

Q

E

H

Q

E

I

R

K

S

R

L

L

S

N

A

A

R

R

L

F

A

Q

A

L

D

D

V

I

M

M

G

R

V

V

P

P

T

G

L

I

V

I

V

V

A

A

R
|
R

T

T

D

D

A

A

E

E

S

A

A

A

K

N

L

L

I

I

T

D

S

S

D

R

V

A

D

D

E

E

R

R

D

D

R

Q

P

P

F

F

I

L

active site: Y93 (= Y85), D112 (= D104), D166 (= D148), D168 (≠ E150), H193 (= H175), E195 (= E177), C204 (= C186), H206 (= H188), R241 (= R223)
binding magnesium ion: D166 (= D148), D168 (≠ E150)

Sites not aligning to the query:

active site: 447, 470, 477, 479
binding magnesium ion: 438, 441, 470

Query Sequence

>WP_020173599.1 NCBI__GCF_000385335.1:WP_020173599.1
MSTTESFQDLIPSAPAGRFDGIRRPYGPEEVKRLRGSFPIAYTLAERSANKLWKLMQERP
YVHSLGAVTGNQAMQMARAGLEAIYLSGWQVAADANVAGAMYPDQSLYPANSGPELARKI
NKTFKRVDEIEHAEGNVTRDWFLPIIADAEAGFGGPLNVFEIMKAYIEAGVAAVHFEDQL
ASEKKCGHLGGKVLLPTAQHERSLSAARLAADVMGVPTLVVARTDAESAKLITSDVDERD
RPFIIPDSRTPEGFYRLKDGTGLAHCISRGLAYAEVSDMLWWETSHPDLGEAREFAEAVH
KKFPGKLLAYNCSPSFNWRAKLDKATIEKFQRELGAMGYKYQFVTLAGFHSLNLSMYELA
LGYKDRGMDAYSELQQAEFDLEAKGYSATRHQREVGTGYFDAVSVAISGGASSTTAMGES
TESAQFKDKTKPSSVAAE

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