SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_011974516.1 NCBI__GCF_000017145.1:WP_011974516.1 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)
93% identity, 99% coverage: 2:426/429 of query aligns to 1:425/425 of 7rbxC

query
sites
7rbxC

T

T

D

D

F

F

Y

Y

K

S

L

L

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I

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P

N

S

A

A

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E

K

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E

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M

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G

A

A

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L

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W

K

K

L

L

I

I

H

H

E

E

D

D

F

F

V

V

N

N

A

A

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L

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G

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A

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L

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S

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G

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N

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M

M

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V

R

R

A

A

G

G

L

L

K

K

A

A

I

I

Y

Y

L

L

S

S

G

G

W

W

Q

Q

V

V

A

A

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D

A

A

N

N

T

T

A

A

S

S

A

A

M

M

Y

Y

P

P

D

D

Q

Q

S

S

L

L

Y

Y

P

P

A

A

N

N

A

A

A

G

P

P

E

E

L

L

A

A

K

K

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R

I

I

N

N

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L

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A

A

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I

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A

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K

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G

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L

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S

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T

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I

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Y

Y

A

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Y

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C

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M

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E

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F

F

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K

A

A

Y

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P

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G

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K

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L

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A

Y

Y

N

N

C

C

S
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S

P

P

S
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S

F

F

N

N

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K

N

N

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L

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D

A

A

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T

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Y

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Y

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G

Y

Y

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T

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T

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E

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P

P

binding 2-methylidenebutanedioic acid: C184 (= C185), H186 (= H187), R221 (= R222), S310 (= S311), S312 (= S313), T342 (= T343)

6lrtA Crystal structure of isocitrate lyase (caur_3889) from chloroflexus aurantiacus in complex with isocitrate and manganese ion
74% identity, 97% coverage: 10:424/429 of query aligns to 15:423/423 of 6lrtA

query
sites
6lrtA

N

N

A

T

P

P

E

-

G

-

R

R

F

F

D

A

G

G

I

I

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E

E

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D

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Y

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R

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G

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V

E

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I

I

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E

Y

Y

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L

L

A

A

E

R

M

M

G

G

A

A

N

E

R

R

L

L

W

W

K

N

L

L

I

L

H

H

E

T

E

E

D

P

F

Y

V

I

N

N

A

A

L

L

G

G

A

A

L

L

S

T

G

G

N

N

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Q

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A

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M

Q

Q

M

Q

V

V

R

K

A

A

G

G

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K

A

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Y

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S

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G

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W

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Q

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A

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D

A

A

N

N

T

L

A

A

S

G

A

Q

M

M

Y

Y

P

P

D
|
D

Q

Q

S

S

L

L

Y

Y

P

P

A

A

N

N

A

S

A

G

P

P

E

Q

L

L

A

V

K

R

R

N

I

I

N

N

R

N

T

A

L

L

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R

R

R

A

A

D

D

Q

Q

I

I

E

Y

T

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A

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E

E

G

G

K

R

G

-

L

-

S

N

V

D

D

I

T

Y

W

W

F

F

A

A

P

P

I

I

V

V

A

A

D
|
D

A

A

E

E

A

A

G

G

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F

G

G

P

P

L

L

N

N

A

V

F

F

E

E

I

I

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A

A

F

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Y

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E

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D

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K

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C

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L

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A

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H

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N

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A

A

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L

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A

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A

-

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-

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R

T

T

V

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E

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A

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C

A

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I

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L

N

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E

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A

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N

Y

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T

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E

H

E

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E

Q

Q

F

F

binding manganese (ii) ion: D104 (= D101), D148 (= D147), K184 (= K183)

7cmyC Isocitrate lyase from bacillus cereus atcc 14579 in complex with magnessium ion, glyoxylate, and succinate
69% identity, 96% coverage: 15:424/429 of query aligns to 17:417/417 of 7cmyC

query
sites
7cmyC

R

R

F

W

D

E

G

G

I

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R

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P

Y

Y

S

S

A

A

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E

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D

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G

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I

I

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M

R

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A

A

N

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L

L

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W

K

T

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I

L

H

H

E

T

E

E

D

D

F

Y

V

I

N

N

A

A

L

L

G

G

A

A

L

L

S

T

G

G

N

N

Q

Q

A

A

M

M

Q

Q

M

Q

V

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K

A

A

G

G

L

L

K

K

A

A

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I

Y

Y

L

L

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S

G

G

W

W

Q

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V

V

A

A

D

D

A

A

N

N

T

L

A

S

S

G

A

H

M

M

Y

Y

P

P

D
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D

Q

Q

S

S

L

L

Y

Y

P

P

A

A

N

N

A

S

A

V

P

P

E

A

L

V

A

V

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K

R

R

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I

N

N

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L

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R

A

A

D

D

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I

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E

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A

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E

E

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G

K

-

G

-

L

-

S

S

V

D

D

D

T

T

-

D

W

Y

F

F

A

V

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P

I

I

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V

A

A

D
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D

A

A

E

E

A

A

G

G

F

F

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G

P

Q

L

L

N

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F

F

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A

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F

E

E

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D

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L

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K

K

K

C

C

G

G

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H

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L

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G

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K

V

V

L

L

I

L

P

P

T

T

A

Q

A

T

H

A

I

V

R

R

N

N

L

L

N

I

A

S

A

A

R

R

L

L

A

A

D

D

V

V

M

M

G

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L

I

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I

I

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A

A

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R

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T

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D

A

A

E

D

A

A

K

D

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S

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D

I

I

D

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E

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R

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D

D

R

K

P

A

F

F

V

-

D

-

I

I

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T

A

G

G

E

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T

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P

E

E

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G

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F

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Y

Q

R

V

T

R

N

N

A

G

G

I

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E

D

P

Q

C

A

I

I

A

A

R

R

A

G

I

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A

A

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Y

A

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H

Y

C

A

D

D

L

L

I

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W

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C

C

E

E

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E

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P

D

N

L

L

E

E

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D

A

A

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K

R

F

F

A

A

E

D

G

A

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I

H

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K

K

A

E

Y

H

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

K

K

K

Q

N

K

L

L

D

-

A

-

T

-

I

-

A

A

K

S

F

F

Q

Q

R

K

E

E

L

I

G

A

A

S

M

Y

G

G

Y

Y

K

K

F

F

Q

Q

F

F

I

V

T

T

L

L

A

A

G

G

F

F

H

H

Q

S

L

L

N

N

Y

Y

G

G

M

M

F

F

E

E

L

L

A

A

R

R

G

G

Y

Y

K

K

D

E

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Q

G

M

M

A

A

Y

Y

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S

E

E

L

L

Q

Q

E

Q

A

A

E

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F

A

A

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E

A

K

N

H

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G

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A

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K

R

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Q

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R

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E

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G

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G

Y

Y

F

F

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D

A

E

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A

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I

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A

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K

E

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E

E

H

E

D

A

Q

Q

F

F

binding magnesium ion: D103 (= D101), D147 (= D147), K183 (= K183)

6c4aA Crystal structure of 3-nitropropionate modified isocitrate lyase from mycobacterium tuberculosis with pyruvate (see paper)
68% identity, 96% coverage: 15:424/429 of query aligns to 23:428/428 of 6c4aA

query
sites
6c4aA

R

R

F

W

D

K

G

D

I

V

E

T

R

R

P

T

Y

Y

S

S

A

A

E

E

D

D

V

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K

V

R

A

L

L

R

Q

G

G

S

S

V

V

E

V

I

E

R

E

Y

H

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T

L

L

A

A

E

R

M

R

G

G

A

A

N

E

R

V

L

L

W

W

K

E

L

Q

I

L

H

H

E

D

E

L

D

E

F

W

V

V

N

N

A

A

L

L

G

G

A

A

L

L

S

T

G

G

N

N

Q

M

A

A

M

V

Q

Q

M

Q

V

V

R

R

A

A

G

G

L

L

K

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

T

L

A

S

S

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

A

S

A

V

P

P

E

Q

L

V

A

V

K

R

R

R

I

I

N

N

R

N

T

A

L

L

Q

Q

R

R

A

A

D

D

Q

Q

I

I

E

A

T

K

A

I

E

E

G

G

K

D

G

-

L

T

S

S

V

V

D

E

T

N

W

W

F

L

A

A

P

P

I

I

V

V

A

A

D
|
D

A

G

E
|
E

A

A

G

G

F

F

G

G

P

A

L

L

N

N

A

V

F

Y

E

E

I

L

M

Q

K

K

A

A

F

L

I

I

E

A

A

A

G

G

A

V

A

A

G

G

V

S

H
|
H

Y

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

I

I

P

P

T

T

A

Q

H

H

I

I

R

R

N

T

L

L

N

T

A

S

A

A

R

R

L

L

A

A

D

D

V

V

M

A

G

D

T

V

P

P

T

T

L

V

V

V

I

I

A

A

R
|
R

T

T

D

D

A

A

E

E

A

A

K

T

L

L

L

I

T

T

S

S

D

D

I

V

D

D

E

E

R

R

D

D

R

Q

P

P

F

F

V

-

D

-

I

I

D

T

A

G

G

E

R

R

T

T

V

R

E

E

G

G

F

F

Y

Y

Q

R

V

T

R

K

N

N

G

G

I

I

E

E

P

P

C

C

I

I

A

A

R

R

A

A

I

K

A

A

Y

Y

A
|
A

P

P

H

F

C
x
A

D

D

L

L

I

I

W
|
W

C

M

E
|
E

T

T

S

G

K

T

P

P

D

D

L

L

E

E

Q

A

A

A

R

R

K

Q

F

F

A

S

E

E

G

A

V

V

H

K

K

A

A

E

Y

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

K

K

N

H

L

L

D

D

A

A

T

T

I

I

A

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

F

F

Q

Q

F

F

I

I

T
|
T

L

L

A

A

G

G

F

F

H

H

Q

A

L

L

N

N

Y
|
Y

G
x
S

M

M

F

F

E

D

L

L

A

A

R

Y

G

G

Y

Y

K

A

D

Q

R

N

Q

Q

M

M

A

S

A

A

Y

Y

S

V

E

E

L

L

Q

Q

E

E

A
x
R

E

E

F

F

A

A

E

E

A

E

N

R

G

G

Y

Y

T

T

A

A

T

T

K

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

T

-

G

D

G

P

Q

N

S

S

T

T

A

A

M

L

K

T

E

G

S

S

T

T

E

E

H

E

D

G

Q

Q

F

F

active site: Y90 (= Y82), D109 (= D101), D154 (= D147), E156 (= E149), H181 (= H174), E183 (= E176), C192 (= C185), H194 (= H187), R229 (= R222), E286 (= E281), Q309 (≠ K304), S316 (= S311), S318 (= S313)
binding 3-nitropropanoic acid: Y357 (= Y352), S358 (≠ G353), R380 (≠ A375)
binding magnesium ion: A277 (= A272), A280 (≠ C275), Q309 (≠ K304)
binding pyruvic acid: Y90 (= Y82), S92 (= S84), G93 (= G85), W94 (= W86), D154 (= D147), C192 (= C185), R229 (= R222), W284 (= W279), T348 (= T343)

P9WKK7 Isocitrate lyase; ICL; Isocitrase; Isocitratase; EC 4.1.3.1 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see 2 papers)
68% identity, 96% coverage: 15:424/429 of query aligns to 22:427/428 of P9WKK7

query
sites
P9WKK7

R

R

F

W

D

K

G

D

I

V

E

T

R

R

P

T

Y

Y

S

S

A

A

E

E

D

D

V

V

K

V

R

A

L

L

R

Q

G

G

S

S

V

V

E

V

I

E

R

E

Y

H

S

T

L

L

A

A

E

R

M

R

G

G

A

A

N

E

R

V

L

L

W

W

K

E

L

Q

I

L

H

H

E

D

E

L

D

E

F

W

V

V

N

N

A

A

L

L

G

G

A

A

L

L

S

T

G

G

N

N

Q

M

A

A

M

V

Q

Q

M

Q

V

V

R

R

A

A

G

G

L

L

K

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

T

L

A

S

S

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

A

S

A

V

P

P

E

Q

L

V

A

V

K

R

R

R

I

I

N

N

R

N

T

A

L

L

Q

Q

R

R

A

A

D

D

Q

Q

I

I

E

A

T

K

A

I

E

E

G

G

K

D

G

-

L

T

S

S

V

V

D

E

T

N

W

W

F

L

A

A

P

P

I

I

V

V

A

A

D
|
D

A

G

E

E

A

A

G

G

F

F

G

G

P

A

L

L

N

N

A

V

F

Y

E

E

I

L

M

Q

K

K

A

A

F

L

I

I

E

A

A

A

G

G

A

V

A

A

G

G

V

S

H

H

Y

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

I

I

P

P

T

T

A

Q

H

H

I

I

R

R

N

T

L

L

N

T

A

S

A

A

R

R

L

L

A

A

D

D

V

V

M

A

G

D

T

V

P

P

T

T

L

V

V

V

I

I

A

A

R
|
R

T

T

D

D

A

A

E

E

A

A

K

T

L

L

L

I

T

T

S

S

D

D

I

V

D

D

E

E

R

R

D

D

R

Q

P

P

F

F

V

-

D

-

I

I

D

T

A

G

G

E

R

R

T

T

V

R

E

E

G

G

F

F

Y

Y

Q

R

V

T

R

K

N

N

G

G

I

I

E

E

P

P

C

C

I

I

A

A

R

R

A

A

I

K

A

A

Y

Y

A

A

P

P

H

F

C

A

D

D

L

L

I

I

W

W

C

M

E

E

T

T

S

G

K

T

P

P

D

D

L

L

E

E

Q

A

A

A

R

R

K

Q

F

F

A

S

E

E

G

A

V

V

H

K

K

A

A

E

Y

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

K

K

N

H

L

L

D

D

A

A

T

T

I

I

A

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

F

F

Q

Q

F

F

I

I

T
|
T

L

L

A

A

G

G

F

F

H

H

Q

A

L

L

N

N

Y

Y

G

S

M

M

F

F

E

D

L

L

A

A

R

Y

G

G

Y

Y

K

A

D

Q

R

N

Q

Q

M

M

A

S

A

A

Y

Y

S

V

E

E

L

L

Q

Q

E

E

A

R

E

E

F

F

A

A

E

E

A

E

N

R

G

G

Y

Y

T

T

A

A

T

T

K

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

T

-

G

D

G

P

Q

N

S

S

T

T

A

A

M

L

K

T

E

G

S

S

T

T

E

E

H

E

D

G

Q

Q

F

F

SGW 91:93 (= SGW 84:86) binding substrate
D153 (= D147) binding Mg(2+)
C191 (= C185) mutation to S: Adopts a conformation almost identical to the wild-type.
GH 192:193 (= GH 186:187) binding substrate
R228 (= R222) binding substrate
NCSPS 313:317 (= NCSPS 309:313) binding substrate
K334 (≠ R330) modified: Isoglutamyl lysine isopeptide (Lys-Gln) (interchain with Q-Cter in protein Pup)
T347 (= T343) binding substrate

7rb1A Isocitrate lyase-1 from mycobacterium tuberculosis covalently modified by 5-descarboxy-5-nitro-d-isocitric acid (see paper)
68% identity, 96% coverage: 15:424/429 of query aligns to 22:427/427 of 7rb1A

query
sites
7rb1A

R

R

F

W

D

K

G

D

I

V

E

T

R

R

P

T

Y

Y

S

S

A

A

E

E

D

D

V

V

K

V

R

A

L

L

R

Q

G

G

S

S

V

V

E

V

I

E

R

E

Y

H

S

T

L

L

A

A

E

R

M

R

G

G

A

A

N

E

R

V

L

L

W

W

K

E

L

Q

I

L

H

H

E

D

E

L

D

E

F

W

V

V

N

N

A

A

L

L

G

G

A

A

L

L

S

T

G

G

N

N

Q

M

A

A

M

V

Q

Q

M

Q

V

V

R

R

A

A

G

G

L

L

K

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

T

L

A

S

S

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

A

S

A

V

P

P

E

Q

L

V

A

V

K

R

R

R

I

I

N

N

R

N

T

A

L

L

Q

Q

R

R

A

A

D

D

Q

Q

I

I

E

A

T

K

A

I

E

E

G

G

K

D

G

-

L

T

S

S

V

V

D

E

T

N

W

W

F

L

A

A

P

P

I

I

V

V

A

A

D
|
D

A

G

E

E

A

A

G

G

F

F

G

G

P

A

L

L

N

N

A

V

F

Y

E

E

I

L

M

Q

K

K

A

A

F

L

I

I

E

A

A

A

G

G

A

V

A

A

G

G

V

S

H

H

Y

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

I

I

P

P

T

T

A

Q

H

H

I

I

R

R

N

T

L

L

N

T

A

S

A

A

R

R

L

L

A

A

D

D

V

V

M

A

G

D

T

V

P

P

T

T

L

V

V

V

I

I

A

A

R
|
R

T

T

D

D

A

A

E

E

A

A

K

T

L

L

L

I

T

T

S

S

D

D

I

V

D

D

E

E

R

R

D

D

R

Q

P

P

F

F

V

-

D

-

I

I

D

T

A

G

G

E

R

R

T

T

V

R

E

E

G

G

F

F

Y

Y

Q

R

V

T

R

K

N

N

G

G

I

I

E

E

P

P

C

C

I

I

A

A

R

R

A

A

I

K

A

A

Y

Y

A
|
A

P

P

H

F

C
x
A

D

D

L

L

I

I

W

W

C

M

E

E

T

T

S

G

K

T

P

P

D

D

L

L

E

E

Q

A

A

A

R

R

K

Q

F

F

A

S

E

E

G

A

V

V

H

K

K

A

A

E

Y

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

K

K

N

H

L

L

D

D

A

A

T

T

I

I

A

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

F

F

Q

Q

F

F

I

I

T
|
T

L

L

A

A

G

G

F

F

H

H

Q

A

L

L

N

N

Y

Y

G

S

M

M

F

F

E

D

L

L

A

A

R

Y

G

G

Y

Y

K

A

D

Q

R

N

Q

Q

M

M

A

S

A

A

Y

Y

S

V

E

E

L

L

Q

Q

E

E

A

R

E

E

F

F

A

A

E

E

A

E

N

R

G

G

Y

Y

T

T

A

A

T

T

K

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

T

-

G

D

G

P

Q

N

S

S

T

T

A

A

M

L

K

T

E

G

S

S

T

T

E

E

H

E

D

G

Q

Q

F

F

binding dihydroxyacetic acid: Y89 (= Y82), S91 (= S84), W93 (= W86), D153 (= D147), R228 (= R222), T347 (= T343)
binding (3E)-3-(hydroxyimino)propanoic acid: C191 (= C185), G192 (= G186), H193 (= H187), R228 (= R222), S315 (= S311), S317 (= S313), T347 (= T343)
binding magnesium ion: A276 (= A272), A279 (≠ C275), Q308 (≠ K304)

6wsiA Intact cis-2,3-epoxysuccinic acid bound to isocitrate lyase-1 from mycobacterium tuberculosis (see paper)
68% identity, 96% coverage: 15:424/429 of query aligns to 22:427/427 of 6wsiA

query
sites
6wsiA

R

R

F

W

D

K

G

D

I

V

E

T

R

R

P

T

Y

Y

S

S

A

A

E

E

D

D

V

V

K

V

R

A

L

L

R

Q

G

G

S

S

V

V

E

V

I

E

R

E

Y

H

S

T

L

L

A

A

E

R

M

R

G

G

A

A

N

E

R

V

L

L

W

W

K

E

L

Q

I

L

H

H

E

D

E

L

D

E

F

W

V

V

N

N

A

A

L

L

G

G

A

A

L

L

S

T

G

G

N

N

Q

M

A

A

M

V

Q

Q

M

Q

V

V

R

R

A

A

G

G

L

L

K

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

T

L

A

S

S

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

A

S

A

V

P

P

E

Q

L

V

A

V

K

R

R

R

I

I

N

N

R

N

T

A

L

L

Q

Q

R

R

A

A

D

D

Q

Q

I

I

E

A

T

K

A

I

E

E

G

G

K

D

G

-

L

T

S

S

V

V

D

E

T

N

W

W

F

L

A

A

P

P

I

I

V

V

A

A

D
|
D

A

G

E
|
E

A

A

G

G

F

F

G

G

P

A

L

L

N

N

A

V

F

Y

E

E

I

L

M

Q

K

K

A

A

F

L

I

I

E

A

A

A

G

G

A

V

A

A

G

G

V

S

H
|
H

Y

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

I

I

P

P

T

T

A

Q

H

H

I

I

R

R

N

T

L

L

N

T

A

S

A

A

R

R

L

L

A

A

D

D

V

V

M

A

G

D

T

V

P

P

T

T

L

V

V

V

I

I

A

A

R
|
R

T

T

D

D

A

A

E

E

A

A

K

T

L

L

L

I

T

T

S

S

D

D

I

V

D

D

E

E

R

R

D

D

R

Q

P

P

F

F

V

-

D

-

I

I

D

T

A

G

G

E

R

R

T

T

V

R

E

E

G

G

F

F

Y

Y

Q

R

V

T

R

K

N

N

G

G

I

I

E

E

P

P

C

C

I

I

A

A

R

R

A

A

I

K

A

A

Y

Y

A
|
A

P

P

H

F

C
x
A

D

D

L

L

I

I

W

W

C

M

E
|
E

T

T

S

G

K

T

P

P

D

D

L

L

E

E

Q

A

A

A

R

R

K

Q

F

F

A

S

E

E

G

A

V

V

H

K

K

A

A

E

Y

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

K

K

N

H

L

L

D

D

A

A

T

T

I

I

A

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

F

F

Q

Q

F

F

I

I

T
|
T

L

L

A

A

G

G

F

F

H

H

Q

A

L

L

N

N

Y

Y

G

S

M

M

F

F

E

D

L

L

A

A

R

Y

G

G

Y

Y

K

A

D

Q

R

N

Q

Q

M

M

A

S

A

A

Y

Y

S

V

E

E

L

L

Q

Q

E

E

A

R

E

E

F

F

A

A

E

E

A

E

N

R

G

G

Y

Y

T

T

A

A

T

T

K

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

T

-

G

D

G

P

Q

N

S

S

T

T

A

A

M

L

K

T

E

G

S

S

T

T

E

E

H

E

D

G

Q

Q

F

F

active site: Y89 (= Y82), D108 (= D101), D153 (= D147), E155 (= E149), H180 (= H174), E182 (= E176), C191 (= C185), H193 (= H187), R228 (= R222), E285 (= E281), Q308 (≠ K304), S315 (= S311), S317 (= S313)
binding magnesium ion: A276 (= A272), A279 (≠ C275), Q308 (≠ K304)
binding (2R,3S)-oxirane-2,3-dicarboxylic acid: C191 (= C185), G192 (= G186), H193 (= H187), R228 (= R222), E285 (= E281), N313 (= N309), S315 (= S311), S317 (= S313), T347 (= T343)

6vb9A Covalent adduct of cis-2,3-epoxysuccinic acid with isocitrate lyase-1 from mycobacterium tuberculosis (see paper)
68% identity, 96% coverage: 15:424/429 of query aligns to 22:427/427 of 6vb9A

query
sites
6vb9A

R

R

F

W

D

K

G

D

I

V

E

T

R

R

P

T

Y

Y

S

S

A

A

E

E

D

D

V

V

K

V

R

A

L

L

R

Q

G

G

S

S

V

V

E

V

I

E

R

E

Y

H

S

T

L

L

A

A

E

R

M

R

G

G

A

A

N

E

R

V

L

L

W

W

K

E

L

Q

I

L

H

H

E

D

E

L

D

E

F

W

V

V

N

N

A

A

L

L

G

G

A

A

L

L

S

T

G

G

N

N

Q

M

A

A

M

V

Q

Q

M

Q

V

V

R

R

A

A

G

G

L

L

K

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

T

L

A

S

S

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

A

S

A

V

P

P

E

Q

L

V

A

V

K

R

R

R

I

I

N

N

R

N

T

A

L

L

Q

Q

R

R

A

A

D

D

Q

Q

I

I

E

A

T

K

A

I

E

E

G

G

K

D

G

-

L

T

S

S

V

V

D

E

T

N

W

W

F

L

A

A

P

P

I

I

V

V

A

A

D
|
D

A

G

E
|
E

A

A

G

G

F

F

G

G

P

A

L

L

N

N

A

V

F

Y

E

E

I

L

M

Q

K

K

A

A

F

L

I

I

E

A

A

A

G

G

A

V

A

A

G

G

V

S

H
|
H

Y

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

I

I

P

P

T

T

A

Q

H

H

I

I

R

R

N

T

L

L

N

T

A

S

A

A

R

R

L

L

A

A

D

D

V

V

M

A

G

D

T

V

P

P

T

T

L

V

V

V

I

I

A

A

R
|
R

T

T

D

D

A

A

E

E

A

A

K

T

L

L

L

I

T

T

S

S

D

D

I

V

D

D

E

E

R

R

D

D

R

Q

P

P

F

F

V

-

D

-

I

I

D

T

A

G

G

E

R

R

T

T

V

R

E

E

G

G

F

F

Y

Y

Q

R

V

T

R

K

N

N

G

G

I

I

E

E

P

P

C

C

I

I

A

A

R

R

A

A

I

K

A

A

Y

Y

A
|
A

P

P

H

F

C
x
A

D

D

L

L

I

I

W
|
W

C

M

E
|
E

T

T

S

G

K

T

P

P

D

D

L

L

E

E

Q

A

A

A

R

R

K

Q

F

F

A

S

E

E

G

A

V

V

H

K

K

A

A

E

Y

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

K

K

N

H

L

L

D

D

A

A

T

T

I

I

A

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

F

F

Q

Q

F

F

I

I

T
|
T

L

L

A

A

G

G

F

F

H

H

Q

A

L

L

N

N

Y

Y

G

S

M

M

F

F

E

D

L

L

A

A

R

Y

G

G

Y

Y

K

A

D

Q

R

N

Q

Q

M

M

A

S

A

A

Y

Y

S

V

E

E

L

L

Q

Q

E

E

A

R

E

E

F

F

A

A

E

E

A

E

N

R

G

G

Y

Y

T

T

A

A

T

T

K

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

T

-

G

D

G

P

Q

N

S

S

T

T

A

A

M

L

K

T

E

G

S

S

T

T

E

E

H

E

D

G

Q

Q

F

F

active site: Y89 (= Y82), D108 (= D101), D153 (= D147), E155 (= E149), H180 (= H174), E182 (= E176), C191 (= C185), H193 (= H187), R228 (= R222), E285 (= E281), Q308 (≠ K304), S315 (= S311), S317 (= S313)
binding magnesium ion: A276 (= A272), A279 (≠ C275), Q308 (≠ K304)
binding oxalic acid: Y89 (= Y82), S91 (= S84), G92 (= G85), W93 (= W86), D153 (= D147), C191 (= C185), R228 (= R222), W283 (= W279), T347 (= T343)

5dqlA Crystal structure of 2-vinyl glyoxylate modified isocitrate lyase from mycobacterium tuberculosis (see paper)
68% identity, 96% coverage: 15:424/429 of query aligns to 22:427/427 of 5dqlA

query
sites
5dqlA

R

R

F

W

D

K

G

D

I

V

E

T

R

R

P

T

Y

Y

S

S

A

A

E

E

D

D

V

V

K

V

R

A

L

L

R

Q

G

G

S

S

V

V

E

V

I

E

R

E

Y

H

S

T

L

L

A

A

E

R

M

R

G

G

A

A

N

E

R

V

L

L

W

W

K

E

L

Q

I

L

H

H

E

D

E

L

D

E

F

W

V

V

N

N

A

A

L

L

G

G

A

A

L

L

S

T

G

G

N

N

Q

M

A

A

M

V

Q

Q

M

Q

V

V

R

R

A

A

G

G

L

L

K

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

T

L

A

S

S

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

A

S

A

V

P

P

E

Q

L

V

A

V

K

R

R

R

I

I

N

N

R

N

T

A

L

L

Q

Q

R

R

A

A

D

D

Q

Q

I

I

E

A

T

K

A

I

E

E

G

G

K

D

G

-

L

T

S

S

V

V

D

E

T

N

W

W

F

L

A

A

P

P

I

I

V

V

A

A

D
|
D

A

G

E
|
E

A

A

G

G

F

F

G

G

P

A

L

L

N

N

A

V

F

Y

E

E

I

L

M

Q

K

K

A

A

F

L

I

I

E

A

A

A

G

G

A

V

A

A

G

G

V

S

H
|
H

Y

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

I

I

P

P

T

T

A

Q

H

H

I

I

R

R

N

T

L

L

N

T

A

S

A

A

R

R

L

L

A

A

D

D

V

V

M

A

G

D

T

V

P

P

T

T

L

V

V

V

I

I

A

A

R
|
R

T

T

D

D

A

A

E

E

A

A

K

T

L

L

L

I

T

T

S

S

D

D

I

V

D

D

E

E

R

R

D

D

R

Q

P

P

F

F

V

-

D

-

I

I

D

T

A

G

G

E

R

R

T

T

V

R

E

E

G

G

F

F

Y

Y

Q

R

V

T

R

K

N

N

G

G

I

I

E

E

P

P

C

C

I

I

A

A

R

R

A

A

I

K

A

A

Y

Y

A
|
A

P

P

H

F

C
x
A

D

D

L

L

I

I

W

W

C

M

E
|
E

T

T

S

G

K

T

P

P

D

D

L

L

E

E

Q

A

A

A

R

R

K

Q

F

F

A

S

E

E

G

A

V

V

H

K

K

A

A

E

Y

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

K

K

N

H

L

L

D

D

A

A

T

T

I

I

A

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

F

F

Q

Q

F

F

I

I

T
|
T

L
|
L

A

A

G

G

F

F

H

H

Q

A

L

L

N

N

Y

Y

G

S

M

M

F

F

E

D

L

L

A

A

R

Y

G

G

Y

Y

K

A

D

Q

R

N

Q

Q

M

M

A

S

A

A

Y

Y

S

V

E

E

L

L

Q

Q

E

E

A

R

E

E

F

F

A

A

E

E

A

E

N

R

G

G

Y

Y

T

T

A

A

T

T

K

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

T

-

G

D

G

P

Q

N

S

S

T

T

A

A

M

L

K

T

E

G

S

S

T

T

E

E

H

E

D

G

Q

Q

F

F

active site: Y89 (= Y82), D108 (= D101), D153 (= D147), E155 (= E149), H180 (= H174), E182 (= E176), C191 (= C185), H193 (= H187), R228 (= R222), E285 (= E281), Q308 (≠ K304), S315 (= S311), S317 (= S313)
binding magnesium ion: A276 (= A272), A279 (≠ C275), Q308 (≠ K304)
binding 4-hydroxy-2-oxobutanoic acid: W93 (= W86), D108 (= D101), C191 (= C185), H193 (= H187), S315 (= S311), S317 (= S313), T347 (= T343), L348 (= L344)

6xppA Crystal structure of itaconate modified mycobaterium tuberculosis isocitrate lyase (see paper)
68% identity, 96% coverage: 15:424/429 of query aligns to 21:426/426 of 6xppA

query
sites
6xppA

R

R

F

W

D

K

G

D

I

V

E

T

R

R

P

T

Y

Y

S

S

A

A

E

E

D

D

V

V

K

V

R

A

L

L

R

Q

G

G

S

S

V

V

E

V

I

E

R

E

Y

H

S

T

L

L

A

A

E

R

M

R

G

G

A

A

N

E

R

V

L

L

W

W

K

E

L

Q

I

L

H

H

E

D

E

L

D

E

F

W

V

V

N

N

A

A

L

L

G

G

A

A

L

L

S

T

G

G

N

N

Q

M

A

A

M

V

Q

Q

M

Q

V

V

R

R

A

A

G

G

L

L

K

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

T

L

A

S

S

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

A

S

A

V

P

P

E

Q

L

V

A

V

K

R

R

R

I

I

N

N

R

N

T

A

L

L

Q

Q

R

R

A

A

D

D

Q

Q

I

I

E

A

T

K

A

I

E

E

G

G

K

D

G

-

L

T

S

S

V

V

D

E

T

N

W

W

F

L

A

A

P

P

I

I

V

V

A

A

D
|
D

A

G

E
|
E

A

A

G

G

F

F

G

G

P

A

L

L

N

N

A

V

F

Y

E

E

I

L

M

Q

K

K

A

A

F

L

I

I

E

A

A

A

G

G

A

V

A

A

G

G

V

S

H
|
H

Y

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

I

I

P

P

T

T

A

Q

H

H

I

I

R

R

N

T

L

L

N

T

A

S

A

A

R

R

L

L

A

A

D

D

V

V

M

A

G

D

T

V

P

P

T

T

L

V

V

V

I

I

A

A

R
|
R

T

T

D

D

A

A

E

E

A

A

K

T

L

L

L

I

T

T

S

S

D

D

I

V

D

D

E

E

R

R

D

D

R

Q

P

P

F

F

V

-

D

-

I

I

D

T

A

G

G

E

R

R

T

T

V

R

E

E

G

G

F

F

Y

Y

Q

R

V

T

R

K

N

N

G

G

I

I

E

E

P

P

C

C

I

I

A

A

R

R

A

A

I

K

A

A

Y

Y

A
|
A

P

P

H

F

C
x
A

D

D

L

L

I

I

W

W

C

M

E
|
E

T

T

S

G

K

T

P

P

D

D

L

L

E

E

Q

A

A

A

R

R

K

Q

F

F

A

S

E

E

G

A

V

V

H

K

K

A

A

E

Y

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

K

K

N

H

L

L

D

D

A

A

T

T

I

I

A

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

F

F

Q

Q

F

F

I

I

T
|
T

L

L

A

A

G

G

F

F

H

H

Q

A

L

L

N

N

Y

Y

G

S

M

M

F

F

E

D

L

L

A

A

R

Y

G

G

Y

Y

K

A

D

Q

R

N

Q

Q

M

M

A

S

A

A

Y

Y

S

V

E

E

L

L

Q

Q

E

E

A

R

E

E

F

F

A

A

E

E

A

E

N

R

G

G

Y

Y

T

T

A

A

T

T

K

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

T

-

G

D

G

P

Q

N

S

S

T

T

A

A

M

L

K

T

E

G

S

S

T

T

E

E

H

E

D

G

Q

Q

F

F

active site: Y88 (= Y82), D107 (= D101), D152 (= D147), E154 (= E149), H179 (= H174), E181 (= E176), C190 (= C185), H192 (= H187), R227 (= R222), E284 (= E281), Q307 (≠ K304), S314 (= S311), S316 (= S313)
binding 2-methylidenebutanedioic acid: W92 (= W86), C190 (= C185), H192 (= H187), R227 (= R222), N312 (= N309), S314 (= S311), S316 (= S313), T346 (= T343)
binding magnesium ion: A275 (= A272), A278 (≠ C275), Q307 (≠ K304)

1f8iA Crystal structure of isocitrate lyase:nitropropionate:glyoxylate complex from mycobacterium tuberculosis (see paper)
67% identity, 96% coverage: 15:424/429 of query aligns to 22:427/427 of 1f8iA

query
sites
1f8iA

R

R

F

W

D

K

G

D

I

V

E

T

R

R

P

T

Y

Y

S

S

A

A

E

E

D

D

V

V

K

V

R

A

L

L

R

Q

G

G

S

S

V

V

E

V

I

E

R

E

Y

H

S

T

L

L

A

A

E

R

M

R

G

G

A

A

N

E

R

V

L

L

W

W

K

E

L

Q

I

L

H

H

E

D

E

L

D

E

F

W

V

V

N

N

A

A

L

L

G

G

A

A

L

L

S

T

G

G

N

N

Q

M

A

A

M

V

Q

Q

M

Q

V

V

R

R

A

A

G

G

L

L

K

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

T

L

A

S

S

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

A

S

A

V

P

P

E

Q

L

V

A

V

K

R

R

R

I

I

N

N

R

N

T

A

L

L

Q

Q

R

R

A

A

D

D

Q

Q

I

I

E

A

T

K

A

I

E

E

G

G

K

D

G

-

L

T

S

S

V

V

D

E

T

N

W

W

F

L

A

A

P

P

I

I

V

V

A

A

D
|
D

A

G

E
|
E

A

A

G

G

F

F

G

G

P

A

L

L

N

N

A

V

F

Y

E

E

I

L

M

Q

K

K

A

A

F

L

I

I

E

A

A

A

G

G

A

V

A

A

G

G

V

S

H
|
H

Y

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

I

I

P

P

T

T

A

Q

H

H

I

I

R

R

N

T

L

L

N

T

A

S

A

A

R

R

L

L

A

A

D

D

V

V

M

A

G

D

T

V

P

P

T

T

L

V

V

V

I

I

A

A

R
|
R

T

T

D

D

A

A

E

E

A

A

K

T

L

L

L

I

T

T

S

S

D

D

I

V

D

D

E

E

R

R

D

D

R

Q

P

P

F

F

V

-

D

-

I

I

D

T

A

G

G

E

R

R

T

T

V

R

E

E

G

G

F

F

Y

Y

Q

R

V

T

R

K

N

N

G

G

I

I

E

E

P

P

C

C

I

I

A

A

R

R

A

A

I

K

A

A

Y

Y

A

A

P

P

H

F

C

A

D

D

L

L

I

I

W

W

C

M

E
|
E

T

T

S

G

K

T

P

P

D

D

L

L

E

E

Q

A

A

A

R

R

K

Q

F

F

A

S

E

E

G

A

V

V

H

K

K

A

A

E

Y

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

K

K

N

H

L

L

D

D

A

A

T

T

I

I

A

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

F

F

Q

Q

F

F

I

I

T
|
T

L

L

A

A

G

G

F

F

H

H

Q

A

L

L

N

N

Y

Y

G

S

M

M

F

F

E

D

L

L

A

A

R

Y

G

G

Y

Y

K

A

D

Q

R

N

Q

Q

M

M

A

S

A

A

Y

Y

S

V

E

E

L

L

Q

Q

E

E

A

R

E

E

F

F

A

A

E

E

A

E

N

R

G

G

Y

Y

T

T

A

A

T

T

K

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

T

-

G

D

G

P

Q

N

S

S

T

T

A

A

M

L

K

T

E

G

S

S

T

T

E

E

H

E

D

G

Q

Q

F

F

active site: Y89 (= Y82), D108 (= D101), D153 (= D147), E155 (= E149), H180 (= H174), E182 (= E176), S191 (≠ C185), H193 (= H187), R228 (= R222), E285 (= E281), Q308 (≠ K304), S315 (= S311), S317 (= S313)
binding glyoxylic acid: Y89 (= Y82), S91 (= S84), W93 (= W86), D153 (= D147), T347 (= T343)

P0A9G6 Isocitrate lyase; ICL; Isocitrase; Isocitratase; EC 4.1.3.1 from Escherichia coli (strain K12) (see 3 papers)
62% identity, 96% coverage: 15:424/429 of query aligns to 19:434/434 of P0A9G6

query
sites
P0A9G6

R

R

F

W

D

E

G

G

I

I

E

T

R

R

P

P

Y

Y

S

S

A

A

E

E

D

D

V

V

K

V

R

K

L

L

R

R

G

G

S

S

V

V

E

N

I

P

R

E

Y

C

S

T

L

L

A

A

E

Q

M

L

G

G

A

A

N

A

R

K

L

M

W

W

K

R

L

L

I

L

H

H

E

G

E

E

D

S

-

K

-

G

F

Y

V

I

N

N

A

S

L

L

G

G

A

A

L

L

S

T

G

G

N

G

Q

Q

A

A

M

L

Q

Q

M

Q

V

A

R

K

A

A

G

G

L

I

K

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

T

L

A

A

S

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

A

S

A

V

P

P

E

A

L

V

A

V

K

E

R

R

I

I

N

N

R

N

T

T

L

F

Q

R

R

R

A

A

D

D

Q

Q

I

I

E

Q

T

W

A

S

-

A

-

G

-

I

-

E

E

P

G

G

K

D

G

P

L

R

S

Y

V

V

D

D

T

-

W

Y

F

F

A

L

P

P

I

I

V

V

A

A

D
|
D

A

A

E

E

A

A

G

G

F

F

G

G

P

V

L

L

N

N

A

A

F

F

E

E

I

L

M

M

K

K

A

A

F

M

I

I

E

E

A

A

G

G

A

A

G

A

V

V

H

H

Y

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

I

V

P

P

T

T

A

Q

A

E

H

A

I

I

R

Q

N

K

L

L

N

V

A

A

R

R

L

L

A
|
A

A

A

D

D

V

V

M

T

G

G

T

V

P

P

T

T

L

L

V

L

I

V

A

A

R
|
R

T

T

D

D

A

A

E

D

A

A

K

D

L

L

L

I

T

T

S

S

D

D

I

C

D

D

E

P

R

Y

D

D

R

S

P

E

F

F

V

-

D

-

I

I

D

T

A

G

G

E

R

R

T

T

V

S

E

E

G

G

F

F

Y

F

Q

R

V

T

R

H

N

A

G

G

I

I

E

E

P

Q

C

A

I

I

A

S

R

R

A

G

I

L

A

A

Y

Y

A

A

P

P

H

Y

C

A

D

D

L

L

I

V

W

W

C

C

E

E

T

T

S

S

K

T

P

P

D

D

L

L

E

E

Q

L

A

A

R

R

K

R

F

F

A

A

E

Q

G

A

V

I

H

H

K

A

A

K

Y

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

K

Q

K

K

N

N

L

L

D

D

A

K

T

T

I

I

A

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

F

F

Q

Q

F

F

I

I

T

T

L

L

A

A

G

G

F

I

H

H

Q

S

L

M

N

W

Y

F

G

N

M

M

F

F

E

D

L

L

A

A

R

N

G

A

Y

Y

K

A

D

Q

R

G

Q

E

-

G

M

M

A

K

A

H

Y

Y

S

V

E

E

-

K

L

V

Q

Q

E

Q

A

P

E

E

F

F

A

A

E

A

A

K

N

D

G

G

Y

Y

T

T

A

F

T

V

K

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

T

Q

G

G

Q

T

S

S

T

V

T

T

A

A

M

L

K

T

E

G

S

S

T

T

E

E

H

E

D

S

Q

Q

F

F

SGW 91:93 (= SGW 84:86) binding substrate
D157 (= D147) binding Mg(2+)
C195 (= C185) active site, Proton acceptor; mutation to A: Large decrease in activity.; mutation to S: Large decrease in activity.
A219 (= A209) mutation to C: Isocitrate lyase activity is reduced compared to the wild-type.
R232 (= R222) 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)
61% identity, 92% coverage: 15:407/429 of query aligns to 18:416/416 of 1igwC

query
sites
1igwC

R

R

F

W

D

E

G

G

I

I

E

T

R

R

P

P

Y

Y

S

S

A

A

E

E

D

D

V

V

K

V

R

K

L

L

R

R

G

G

S

S

V

V

E

N

I

P

R

E

Y

C

S

T

L

L

A

A

E

Q

M

L

G

G

A

A

N

A

R

K

L

M

W

W

K

R

L

L

I

L

H

H

E

G

E

E

D

S

-

K

-

G

F

Y

V

I

N

N

A

S

L

L

G

G

A

A

L

L

S

T

G

G

N

G

Q

Q

A

A

M

L

Q

Q

M

Q

V

A

R

K

A

A

G

G

L

I

K

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

T

L

A

A

S

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

A

S

A

V

P

P

E

A

L

V

A

V

K

E

R

R

I

I

N

N

R

N

T

T

L

F

Q

R

R

R

A

A

D

D

Q

Q

I

I

E

Q

T

W

A

S

-

A

-

G

-

I

-

E

E

P

G

G

K

D

G

P

L

R

S

Y

V

V

D

D

T

-

W

Y

F

F

A

L

P

P

I

I

V

V

A

A

D
|
D

A

A

E
|
E

A

A

G

G

F

F

G

G

P

V

L

L

N

N

A

A

F

F

E

E

I

L

M

M

K

K

A

A

F

M

I

I

E

E

A

A

G

G

A

A

G

A

V

V

H
|
H

Y

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

I

V

P

P

T

T

A

Q

A

E

H

A

I

I

R

Q

N

K

L

L

N

V

A

A

R

R

L

L

A

C

A

A

D

D

V

V

M

T

G

G

T

V

P

P

T

T

L

L

V

L

I

V

A

A

R
|
R

T

T

D

D

A

A

E

D

A

A

K

D

L

L

L

I

T

T

S

S

D

D

I

C

D

D

E

P

R

Y

D

D

R

S

P

E

F

F

V

-

D

-

I

I

D

T

A

G

G

E

R

R

T

T

V

S

E

E

G

G

F

F

Y

F

Q

R

V

T

R

H

N

A

G

G

I

I

E

E

P

Q

C

A

I

I

A

S

R

R

A

G

I

L

A

A

Y

Y

A

A

P

P

H

Y

C

A

D

D

L

L

I

V

W

W

C

C

E
|
E

T

T

S

S

K

T

P

P

D

D

L

L

E

E

Q

L

A

A

R

R

K

R

F

F

A

A

E

Q

G

A

V

I

H

H

K

A

A

K

Y

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

K

Q

K

K

N

N

L

L

D

D

A

K

T

T

I

I

A

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

F

F

Q

Q

F

F

I

I

T
|
T

L

L

A

A

G

G

F

I

H

H

Q

S

L

M

N

W

Y

F

G

N

M

M

F

F

E

D

L

L

A

A

R

N

G

A

Y

Y

K

A

D

Q

R

G

Q

E

-

G

M

M

A

K

A

H

Y

Y

S

V

E

E

-

K

L

V

Q

Q

E

Q

A

P

E

E

F

F

A

A

E

A

A

K

N

D

G

G

Y

Y

T

T

A

F

T

V

K

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

T

Q

G

G

active site: Y88 (= Y82), D107 (= D101), D156 (= D147), E158 (= E149), H183 (= H174), E185 (= E176), C194 (= C185), R231 (= R222), E288 (= E281), K311 (= K304), S318 (= S311), S320 (= S313)
binding pyruvic acid: S90 (= S84), G91 (= G85), W92 (= W86), D156 (= D147), R231 (= R222), T350 (= T343)

1igwA Crystal structure of the isocitrate lyase from the a219c mutant of escherichia coli (see paper)
57% identity, 92% coverage: 15:407/429 of query aligns to 18:396/396 of 1igwA

query
sites
1igwA

R

R

F

W

D

E

G

G

I

I

E

T

R

R

P

P

Y

Y

S

S

A

A

E

E

D

D

V

V

K

V

R

K

L

L

R

R

G

G

S

S

V

V

E

N

I

P

R

E

Y

C

S

T

L

L

A

A

E

Q

M

L

G

G

A

A

N

A

R

K

L

M

W

W

K

R

L

L

I

L

H

H

E

G

E

E

D

S

-

K

-

G

F

Y

V

I

N

N

A

S

L

L

G

G

A

A

L

L

S

T

G

G

N

G

Q

Q

A

A

M

L

Q

Q

M

Q

V

A

R

K

A

A

G

G

L

I

K

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

T

L

A

A

S

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

A

S

A

V

P

P

E

A

L

V

A

V

K

E

R

R

I

I

N

N

R

N

T

T

L

F

Q

R

R

R

A

A

D

D

Q

Q

I

I

E

Q

T

W

A

S

-

A

-

G

-

I

-

E

E

P

G

G

K

D

G

P

L

R

S

Y

V

V

D

D

T

-

W

Y

F

F

A

L

P

P

I

I

V

V

A

A

D
|
D

A

A

E
|
E

A

A

G

G

F

F

G

G

P

V

L

L

N

N

A

A

F

F

E

E

I

L

M

M

K

K

A

A

F

M

I

I

E

E

A

A

G

G

A

A

G

A

V

V

H
|
H

Y

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

I

V

P

P

T

T

A

Q

A

E

H

A

I

I

R

Q

N

K

L

L

N

V

A

A

R

R

L

L

A

C

A

A

D

D

V

V

M

T

G

G

T

V

P

P

T

T

L

L

V

L

I

V

A

A

R
|
R

T

T

D

D

A

A

E

D

A

A

K

D

L

L

L

I

T

T

S

S

D

D

I

C

D

D

E

P

R

Y

D

D

R

S

P

E

F

F

V

-

D

-

I

I

D

T

A

G

G

E

R

R

T

T

V

S

E

E

G

G

F

F

Y

F

Q

R

V

T

R

H

N

A

G

G

I

I

E

E

P

Q

C

A

I

I

A

S

R

R

A

G

I

L

A

A

Y

Y

A

A

P

P

H

Y

C

A

D

D

L

L

I

V

W

W

C

C

E
|
E

T

T

S

S

K

T

P

P

D

D

L

L

E

E

Q

L

A

A

R

R

K

R

F

F

A

A

E

Q

G

A

V

I

H

H

K

A

A

K

Y

Y

P

P

G

G

K
|
K

L

L

A

A

Y

Y

N

N

C

C

S

S

P

-

S

-

F

-

N

-

W

-

K

-

N

-

L

-

D

-

A

-

T

-

I

-

A

-

K

-

F

F

Q

Q

R

Q

E

Q

L

L

G

S

A

D

M

M

G

G

Y

Y

K

K

F

F

Q

Q

F

F

I

I

T
|
T

L

L

A

A

G

G

F

I

H

H

Q

S

L

M

N

W

Y

F

G

N

M

M

F

F

E

D

L

L

A

A

R

N

G

A

Y

Y

K

A

D

Q

R

G

Q

E

-

G

M

M

A

K

A

H

Y

Y

S

V

E

E

-

K

L

V

Q

Q

E

Q

A

P

E

E

F

F

A

A

E

A

A

K

N

D

G

G

Y

Y

T

T

A

F

T

V

K

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

T

Q

G

G

active site: Y88 (= Y82), D107 (= D101), D156 (= D147), E158 (= E149), H183 (= H174), E185 (= E176), C194 (= C185), R227 (= R222), E284 (= E281), K307 (= K304)
binding pyruvic acid: S90 (= S84), W92 (= W86), D156 (= D147), R227 (= R222), T330 (= T343)

5e9fD Structural insights of isocitrate lyases from magnaporthe oryzae (see paper)
36% identity, 91% coverage: 15:406/429 of query aligns to 30:453/453 of 5e9fD

query
sites
5e9fD

R

R

F

W

D

R

G

Y

I

T

E

K

R

R

P

P

Y

F

S

T

A

A

E

E

D

Q

V

I

K

V

R

S

L

K

R

R

G

G

S

N

V

L

E

K

I

I

R

E

Y

Y

S

P

L

-

A

S

E

N

M

A

G

Q

A

S

N

K

R

K

L

L

W

W

K

K

L

I

I

L

-

E

-

G

-

R

-

F

H

Q

E

K

E

R

D

D

F

A

V

S

N

Y

A

T

L

Y

G

G

A

C

L

L

S

E

G

P

N

T

Q

M

A

V

M

T

Q

Q

M

M

V

A

R

K

A

Y

G

-

L

L

K

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

T

S

A

S

S

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

A

T

A

V

P

P

E

N

-

K

-

V

-

S

-

H

-

L

-

F

L

M

A

A

K

Q

R

L

I

F

N

H

R

D

T

R

L

K

Q

Q

R

R

A

H

D

E

Q

R

I

L

E

S

T

A

-

P

-

K

A

S

E

E

G

R

K

S

G

K

L

L

S

Q

V

N

D

I

T

D

W

Y

F

L

A

R

P

P

I

I

V

I

A

A

D
|
D

A

A

E
x
D

A

T

G

G

F

H

G

G

P

L

L

T

N

A

A

V

F

M

E

K

I

L

M

T

K

K

A

L

F

F

I

I

E

E

A

K

G

G

A

A

G

G

V

I

H
|
H

Y

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

I

V

P

P

T

I

A

S

A

E

H

H

I

I

R

N

N

R

L

L

N

V

A

A

A

I

R

R

L

A

A

Q

A

A

D

D

V

I

M

M

G

G

T

V

P

D

T

L

L

L

V

A

I

I

A

A

R
|
R

T

T

D

D

A

A

E

E

A

A

K

T

L

L

L

I

T

T

S

T

D

S

I

I

D

D

E

P

R

R

D

D

R

H

P

A

F

F

V

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

D

I

W

D

D

A

S

G

P

R

R

T

T

V

R

E

E

G

G

F

Y

Y

F

Q

R

V

I

R

K

N

G

G

G

I

C

E

D

P

C

C

A

I

I

A

N

R

R

A

A

I

I

A

A

Y

Y

A

A

P

P

H

Y

C

A

D

D

L

A

I

I

W

W

C

M

E
|
E

T

S

S

K

K

L

P

P

D

D

L

Y

E

E

Q

Q

A

A

R

K

K

E

F

F

A

A

E

E

G

G

V

V

H

H

K

A

A

V

Y

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

K

K

K

T

N

A

L

M

D

P

D

R

A

D

T

E

I

Q

A

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

F

W

Q

Q

F

F

I

I

T

T

L

L

A

A

G

G

F

L

H

H

Q

T

L

T

N

A

Y

L

G

I

M

S

F

D

E

R

L

F

A

A

R

R

G

A

Y

Y

K

S

D

E

R

V

Q

G

M

M

A

R

A

A

Y

Y

S

G

E

E

L

L

-

V

Q

Q

E

E

A

P

E

E

F

M

A

E

A

L

E

-

A

-

N

-

G

G

Y

V

T

D

A

V

T

V

K

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

T

T

active site: Y99 (= Y82), D118 (= D101), D172 (= D147), D174 (≠ E149), H199 (= H174), E201 (= E176), R240 (= R222), E330 (= E281), Q353 (≠ K304), S360 (= S311), S362 (= S313)
binding magnesium ion: D118 (= D101), D172 (= D147)

5e9gD Structural insights of isocitrate lyases from magnaporthe oryzae (see paper)
35% identity, 92% coverage: 15:407/429 of query aligns to 31:486/486 of 5e9gD

query
sites
5e9gD

R

R

F

W

D

R

G

Y

I

T

E

K

R

R

P

P

Y

F

S

T

A

A

E

E

D

Q

V

I

K

V

R

S

L

K

R

R

G

G

S

N

V

L

E

K

I

I

R

E

Y

Y

S

P

L

-

A

S

E

N

M

A

G

Q

A

S

N

K

R

K

L

L

W

W

K

K

L

I

I

L

-

E

-

G

-

R

-

F

H

Q

E

K

E

R

D

D

F

A

V

S

N

Y

A

T

L

Y

G

G

A

C

L

L

S

E

G

P

N

T

Q

M

A

V

M

T

Q

Q

M

M

V

A

R

K

A

Y

G

-

L

L

K

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

T

S

A

S

S

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

A

T

A

V

P

P

E

N

-

K

-

V

-

S

-

H

-

L

-

F

L

M

A

A

K

Q

R

L

I

F

N

H

R

D

T

R

L

K

Q

Q

R

R

A

H

D

E

Q

R

I

L

E

S

T

A

-

P

-

K

A

S

E

E

G

R

K

S

G

K

L

L

S

Q

V

N

D

I

T

D

W

Y

F

L

A

R

P

P

I

I

V

I

A

A

D
|
D

A

A

E
x
D

A

T

G

G

F

H

G

G

P

L

L

T

N

A

A

V

F

M

E

K

I

L

M

T

K

K

A

L

F

F

I

I

E

E

A

K

G

G

A

A

G

G

V

I

H
|
H

Y

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

I

V

P

P

T

I

A

S

A

E

H

H

I

I

R

N

N

R

L

L

N

V

A

A

A

I

R

R

L

A

A

Q

A

A

D

D

V

I

M

M

G

G

T

V

P

D

T

L

L

L

V

A

I

I

A

A

R
|
R

T

T

D

D

A

A

E

E

A

A

K

T

L

L

L

I

T

T

S

T

D

S

I

I

D

D

E

P

R

R

D

D

R

H

P

A

F

F

V

I

-

L

-

G

-

C

-

T

-

N

-

P

-

S

-

L

-

Q

-

P

-

L

-

A

-

D

-

L

-

M

-

N

-

E

-

W

-

M

-

A

-

K

-

A

-

N

-

L

-

K

D

R

I

F

D

D

A

D

G

A

R

V

T

V

V

D

E

A

G

K

F

Y

Y

L

Q

Q

V

A

R

A

N

K

G

G

I

K

E

S

P

N

C

R

I

E

A

A

R

R

A

A

I

I

A

A

-

S

-

F

-

D

-

W

-

D

-

S

-

P

-

R

-

T

-

R

-

E

-

G

-

Y

-

F

-

R

-

I

-

K

-

G

-

C

-

D

-

C

-

A

-

I

-

N

-

R

-

A

-

I

-

A

Y

Y

A

A

P

P

H

Y

C

A

D

D

L

A

I

I

W

W

C

M

E
|
E

T

S

S

K

K

L

P

P

D

D

L

Y

E

E

Q

Q

A

A

R

K

K

E

F

F

A

A

E

E

G

G

V

V

H

H

K

A

A

V

Y

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

K

K

K

A

N

M

L

P

D

R

D

D

A

E

T

Q

I

-

A

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

F

W

Q

Q

F

F

I

I

T
|
T

L

L

A

A

G

G

F

L

H

H

Q

T

L

T

N

A

Y

L

G

I

M

S

F

D

E

R

L

F

A

A

R

R

G

A

Y

Y

K

S

D

E

R

V

Q

G

M

M

A

R

A

A

Y

Y

S

G

E

E

L

L

-

V

Q

Q

E

E

A

P

E

E

F

M

A

E

A

L

E

-

A

-

N

-

G

G

Y

V

T

D

A

V

T

V

K

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

T

T

G

G

active site: Y100 (= Y82), D119 (= D101), D173 (= D147), D175 (≠ E149), H200 (= H174), E202 (= E176), C211 (= C185), H213 (= H187), R248 (= R222), E363 (= E281), Q386 (≠ K304), S393 (= S311), S395 (= S313)
binding glyoxylic acid: Y100 (= Y82), S102 (= S84), G103 (= G85), W104 (= W86), D173 (= D147), H200 (= H174), R248 (= R222), T424 (= T343)
binding glycerol: C211 (= C185), G212 (= G186), H213 (= H187), R248 (= R222)

8z1rB Isocitrate lyase momcl1
39% identity, 53% coverage: 15:243/429 of query aligns to 22:260/516 of 8z1rB

query
sites
8z1rB

R

R

F

Y

D

A

G

G

I

I

E

T

R

R

P

P

Y

Y

S

T

A

A

E

A

D

D

V

V

K

V

R

S

L

A

R

R

G

G

S

S

V

Q

E

Q

I

Q

R

S

Y

Y

S

P

L

S

A

S

E

T

M

M

G

-

A

A

N

R

R

K

L

L

W

W

K

N

L

L

I

I

H

Q

E

E

E

R

D

K

F

A

-

E

-

G

-

K

-

P

V

I

N

H

A

T

L

L

G

G

A

A

L

I

S

D

G

P

N

I

Q

Q

A

M

M

T

Q

Q

M

Q

V

A

R

-

A

A

G

H

L

Q

K

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

T

S

A

T

S

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

A

T

A

V

P

P

E

N

L

Q

A

V

K

Q

R

R

I

L

N

A

R

K

T

A

L

Q

Q

S

R

M

A

H

D

D

-

R

-

K

-

H

-

W

-

D

-

A

-

R

Q

K

I

M

E

S

T

A

A

Q

E

E

G

R

K

S

G

S

L

T

S

P

V

Y

D

T

T

D

W

Y

F

L

A

R

P

P

I

I

V

I

A

A

D
|
D

A

G

E
x
D

A

T

G

G

F

H

G

G

P

L

L

T

N

A

A

V

F

T

E

K

I

L

M

A

K

K

A

L

F

F

I

A

E

E

A

A

G

G

A

A

G

A

V

V

H

H

Y

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

I

V

P

S

T

T

A

G

A

E

H

H

I

I

R

N

N

R

L

L

N

T

A

A

R

R

L

M

A

Q

A

W

D

D

V

I

M

M

G

G

T

T

P

E

T

N

L

L

V

V

I

I

A

A

R

R

T

T

D

D

A

S

E

E

A

S

A

G

K

R

L

L

L

I

T

S

S

N

D

N

I

I

D

D

E

A

R

R

D

D

R

H

P

E

F

F

V

I

binding magnesium ion: D164 (= D147), D166 (≠ E149)

6edzA Crystal structure of mycobacterium tuberculosis icl2 in complex with acetyl-coa, form i (see paper)
39% identity, 53% coverage: 15:243/429 of query aligns to 22:262/733 of 6edzA

query
sites
6edzA

R

R

F

F

D

A

G

G

I

I

E

I

R

R

P

L

Y

Y

S

T

A

A

E

R

D

Q

V

V

K

V

R

E

L

Q

R

R

G

G

S

T

V

I

E

P

I

V

R

D

Y

H

S

I

L

V

A

A

E

R

M

E

G

A

A

A

-

G

-

A

-

F

-

Y

N

E

R

R

L

L

W

R

K

E

L

L

I

F

H

A

E

A

E

R

D

K

F

S

V

I

N

T

A

T

L

F

G

G

A

P

L

Y

S

S

G

P

N

G

Q

Q

A

A

M

V

Q

S

M

M

V

K

R

R

A

M

G

G

L

I

K

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

T

S

A

T

S

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

A

Q

A

V

P

P

E

D

L

D

A

A

K

A

R

V

I

L

N

V

R

R

T

A

L

L

Q

L

R

T

A

A

D

D

Q

R

-

N

-

Q

-

H

-

Y

-

L

-

R

I

L

E

Q

T

M

A

S

E

E

G

R

K

Q

G

R

L

A

S

A

V

T

D

P

T

A

W

Y

-

D

F

F

A

R

P

P

-

F

I

I

V

I

A

A

D
|
D

A

A

E
x
D

A

T

G

G

F

H

G

G

P

D

L

P

N

H

A

V

F

R

E

N

I

L

M

I

K

R

A

R

F

F

I

V

E

E

A

V

G

G

A

V

A

P

G

G

V

Y

H
|
H

Y

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

I

V

P

P

T

S

A

D

A

E

H

Q

I

I

R

K

N

R

L

L

N

N

A

A

R

R

L

F

A

Q

A

L

D

D

V

I

M

M

G

R

T

V

P

P

T

G

L

I

V

I

I

V

A

A

R
|
R

T

T

D

D

A

A

E

E

A

A

K

N

L

L

L

I

T

D

S

S

D

R

I

A

D

D

E

E

R

R

D

D

R

Q

P

P

F

F

V

L

active site: Y93 (= Y82), D112 (= D101), D166 (= D147), D168 (≠ E149), H193 (= H174), E195 (= E176), C204 (= C185), H206 (= H187), R241 (= R222)

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

6edwB Crystal structure of mycobacterium tuberculosis icl2 in the apo form (see paper)
39% identity, 53% coverage: 15:243/429 of query aligns to 22:262/746 of 6edwB

query
sites
6edwB

R

R

F

F

D

A

G

G

I

I

E

I

R

R

P

L

Y

Y

S

T

A

A

E

R

D

Q

V

V

K

V

R

E

L

Q

R

R

G

G

S

T

V

I

E

P

I

V

R

D

Y

H

S

I

L

V

A

A

E

R

M

E

G

A

A

A

-

G

-

A

-

F

-

Y

N

E

R

R

L

L

W

R

K

E

L

L

I

F

H

A

E

A

E

R

D

K

F

S

V

I

N

T

A

T

L

F

G

G

A

P

L

Y

S

S

G

P

N

G

Q

Q

A

A

M

V

Q

S

M

M

V

K

R

R

A

M

G

G

L

I

K

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

T

S

A

T

S

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

A

Q

A

V

P

P

E

D

L

D

A

A

K

A

R

V

I

L

N

V

R

R

T

A

L

L

Q

L

R

T

A

A

D

D

Q

R

-

N

-

Q

-

H

-

Y

-

L

-

R

I

L

E

Q

T

M

A

S

E

E

G

R

K

Q

G

R

L

A

S

A

V

T

D

P

T

A

W

Y

-

D

F

F

A

R

P

P

-

F

I

I

V

I

A

A

D
|
D

A

A

E
x
D

A

T

G

G

F

H

G

G

P

D

L

P

N

H

A

V

F

R

E

N

I

L

M

I

K

R

A

R

F

F

I

V

E

E

A

V

G

G

A

V

A

P

G

G

V

Y

H
|
H

Y

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

I

V

P

P

T

S

A

D

A

E

H

Q

I

I

R

K

N

R

L

L

N

N

A

A

R

R

L

F

A

Q

A

L

D

D

V

I

M

M

G

R

T

V

P

P

T

G

L

I

V

I

I

V

A

A

R
|
R

T

T

D

D

A

A

E

E

A

A

K

N

L

L

L

I

T

D

S

S

D

R

I

A

D

D

E

E

R

R

D

D

R

Q

P

P

F

F

V

L

active site: Y93 (= Y82), D112 (= D101), D166 (= D147), D168 (≠ E149), H193 (= H174), E195 (= E176), C204 (= C185), H206 (= H187), R241 (= R222)

Sites not aligning to the query:

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

6edwC Crystal structure of mycobacterium tuberculosis icl2 in the apo form (see paper)
39% identity, 53% coverage: 15:243/429 of query aligns to 22:262/724 of 6edwC

query
sites
6edwC

R

R

F

F

D

A

G

G

I

I

E

I

R

R

P

L

Y

Y

S

T

A

A

E

R

D

Q

V

V

K

V

R

E

L

Q

R

R

G

G

S

T

V

I

E

P

I

V

R

D

Y

H

S

I

L

V

A

A

E

R

M

E

G

A

A

A

-

G

-

A

-

F

-

Y

N

E

R

R

L

L

W

R

K

E

L

L

I

F

H

A

E

A

E

R

D

K

F

S

V

I

N

T

A

T

L

F

G

G

A

P

L

Y

S

S

G

P

N

G

Q

Q

A

A

M

V

Q

S

M

M

V

K

R

R

A

M

G

G

L

I

K

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

T

S

A

T

S

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

A

Q

A

V

P

P

E

D

L

D

A

A

K

A

R

V

I

L

N

V

R

R

T

A

L

L

Q

L

R

T

A

A

D

D

Q

R

-

N

-

Q

-

H

-

Y

-

L

-

R

I

L

E

Q

T

M

A

S

E

E

G

R

K

Q

G

R

L

A

S

A

V

T

D

P

T

A

W

Y

-

D

F

F

A

R

P

P

-

F

I

I

V

I

A

A

D
|
D

A

A

E
x
D

A

T

G

G

F

H

G

G

P

D

L

P

N

H

A

V

F

R

E

N

I

L

M

I

K

R

A

R

F

F

I

V

E

E

A

V

G

G

A

V

A

P

G

G

V

Y

H
|
H

Y

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

I

V

P

P

T

S

A

D

A

E

H

Q

I

I

R

K

N

R

L

L

N

N

A

A

R

R

L

F

A

Q

A

L

D

D

V

I

M

M

G

R

T

V

P

P

T

G

L

I

V

I

I

V

A

A

R
|
R

T

T

D

D

A

A

E

E

A

A

K

N

L

L

L

I

T

D

S

S

D

R

I

A

D

D

E

E

R

R

D

D

R

Q

P

P

F

F

V

L

active site: Y93 (= Y82), D112 (= D101), D166 (= D147), D168 (≠ E149), H193 (= H174), E195 (= E176), C204 (= C185), H206 (= H187), R241 (= R222)
binding magnesium ion: D166 (= D147), D168 (≠ E149)

Sites not aligning to the query:

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

Query Sequence

>WP_011974516.1 NCBI__GCF_000017145.1:WP_011974516.1
MTDFYKLVPNAPEGRFDGIERPYSAEDVKRLRGSVEIRYSLAEMGANRLWKLIHEEDFVN
ALGALSGNQAMQMVRAGLKAIYLSGWQVAADANTASAMYPDQSLYPANAAPELAKRINRT
LQRADQIETAEGKGLSVDTWFAPIVADAEAGFGGPLNAFEIMKAFIEAGAAGVHYEDQLA
SEKKCGHLGGKVLIPTAAHIRNLNAARLAADVMGTPTLVIARTDAEAAKLLTSDIDERDR
PFVDIDAGRTVEGFYQVRNGIEPCIARAIAYAPHCDLIWCETSKPDLEQARKFAEGVHKA
YPGKLLAYNCSPSFNWKKNLDDATIAKFQRELGAMGYKFQFITLAGFHQLNYGMFELARG
YKDRQMAAYSELQEAEFAAEANGYTATKHQREVGTGYFDAVSVAITGGQSSTTAMKESTE
HDQFRPAAE

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