SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_012383064.1 NCBI__GCF_000019845.1:WP_012383064.1 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)

6g1oA Structure of pseudomonas aeruginosa isocitrate lyase, icl (see paper)
78% identity, 91% coverage: 2:485/530 of query aligns to 3:486/486 of 6g1oA

query
sites
6g1oA

S

A

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Y

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active site: D184 (= D183), Q211 (= Q210), C222 (= C221), H224 (= H223), R260 (= R259), S382 (= S381), S384 (= S383)
binding calcium ion: D184 (= D183), D186 (= D185)
binding glyoxylic acid: D117 (= D116), D186 (= D185), E213 (= E212), S217 (= S216)

P0A9G6 Isocitrate lyase; ICL; Isocitrase; Isocitratase; EC 4.1.3.1 from Escherichia coli (strain K12) (see 3 papers)
28% identity, 88% coverage: 21:486/530 of query aligns to 20:387/434 of P0A9G6

query
sites
P0A9G6

W

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SGW 91:93 (= SGW 100:102) binding substrate
D157 (= D183) binding Mg(2+)
C195 (= C221) active site, Proton acceptor; mutation to A: Large decrease in activity.; mutation to S: Large decrease in activity.
A219 (= A245) mutation to C: Isocitrate lyase activity is reduced compared to the wild-type.
R232 (= R259) 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)
28% identity, 88% coverage: 21:486/530 of query aligns to 19:386/416 of 1igwC

query
sites
1igwC

W

W

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x
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x
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C

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-

K

-

R

-

L

-

P

-

S

-

N

-

L

-

F

-

Q

-

F

F

R

R

K

T

G

H

T

A

G

G

E

I

D

E

R

Q

C

A

V

I

L

S

D

R

S

G

I

L

T

-

S

A

L

Y

Q

A

N

P

G

Y

A

A

D

D

L

L

L

V

W

W

I

C

E
|
E

T

T

E

S

K

T

P

P

H

D

V

L

E

E

Q

L

I

A

A

R

G

R

M

F

M

A

D

Q

R

A

I

I

R

H

A

A

V

K

I

Y

P

P

N

G

A
x
K

K

L

L

L

V

A

Y

Y

N

N

N

C

S
|
S

P

P

S
|
S

F

F

N

N

W

W

T

Q

I

K

N

N

F

L

R

D

Q

-

Q

-

V

-

Y

-

D

-

A

-

W

-

K

-

E

-

A

-

G

-

K

-

D

-

V

-

S

-

A

-

Y

-

D

-

R

-

A

-

G

-

L

-

M

-

D

-

V

-

K

-

Y

-

D

-

G

-

S

-

D

-

L

-

A

-

A

-

E

-

A

-

D

D

E

K

K

T

I

I

R

A

T

S

F

F

Q

Q

A

Q

D

Q

A

L

S

S

K

D

R

M

A

-

G

G

I

Y

F

K

H

F

H

Q

L

F

I

I

T
|
T

L

L

P

A

T

G

Y

I

H

H

T

S

A

M

A

W

L

F

S

N

T

M

D

F

N

D

L

L

A

A

K

N

E

A

Y

Y

F

A

G

Q

E

G

Q

E

G

G

M

M

L

K

G

H

Y

Y

V

V

L

E

N

K

V

V

Q

Q

R

Q

Q

P

E

E

I

F

active site: Y88 (= Y98), D107 (= D116), D156 (= D183), E158 (≠ D185), H183 (≠ Q210), E185 (= E212), C194 (= C221), R231 (= R259), E288 (= E351), K311 (≠ A374), S318 (= S381), S320 (= S383)
binding pyruvic acid: S90 (= S100), G91 (= G101), W92 (= W102), D156 (= D183), R231 (= R259), T350 (= T450)

7cmyC Isocitrate lyase from bacillus cereus atcc 14579 in complex with magnessium ion, glyoxylate, and succinate
29% identity, 69% coverage: 21:386/530 of query aligns to 18:314/417 of 7cmyC

query
sites
7cmyC

W

W

D

E

G

G

I

I

-

T

-

R

-

P

-

Y

N

S

A

A

E

E

A

D

V

V

V

I

R

R

M

L

R

R

L

-

Q

-

N

-

R

-

F

-

K

-

T

G

G

S

L

I

D

D

I

I

A

-

K

E

Y

H

T

T

A

L

A

A

I

R

M

R

R

G

R

A

D

E

M

K

A

L

A

W

Y

T

D

S

A

L

D

H

T

T

T

E

K

D

Y

Y

T

I

Q

N

S

A

L

L

G

G

C

A

W

-

H

-

G

-

F

L

I

T

G

G

Q

N

Q

Q

K

A

V

M

I

Q

S

Q

I

V

K

K

K

A

H

G

F

L

G

-

T

-

T

-

E

-

R

-

R

K

Y

A

L

I

Y

Y

L

L

S

S

G

G

W

W

M

Q

V

V

A

A

A

A

L

D

R

A

S

N

E

L

F

S

G

G

P

H

L

M

-

Y

P

P

D
|
D

Q

Q

S

S

M

L

H

Y

E

P

K

A

T

N

S

S

V

V

P

P

A

A

L

V

I

V

E

K

E

R

L

I

Y

N

T

Q

F

T

L

L

R

Q

Q

R

A

A

D

D

A

Q

R

I

E

Q

L

H

N

-

D

-

I

-

F

-

R

-

A

-

I

-

D

-

A

-

A

-

R

-

K

-

A

-

G

-

D

-

S

-

A

-

K

-

A

-

K

-

E

-

L

-

L

-

T

M

Q

E

A

G

E

S

N

D

H

D

Q

T

T

D

H

Y

V

F

I

V

P

P

I

I

I

V

A

A

D
|
D

I

A

D

E

A

A

G

G

F

F

G

G

N

G

A

Q

E

L

A

N

T

V

Y

F

L

E

L

L

A

M

K

K

K

G

M

M

I

I

E

E

A

A

G

G

A

A

G

S

A

G

L

V

Q

H

I

F

E

E

N

D

Q

Q

V

L

S

S

D

S

E

E

K
|
K

Q

K

C

C

G

G

H

H

Q

L

D

G

G

G

K

K

V

V

T

L

V

L

P

P

H

T

E

Q

D

T

F

A

L

V

A

R

K

N

V

L

R

I

A

S

C

A

R

R

Y

L

A

A

F

A

L

D

E

V

L

M

G

G

V

V

D

P

D

T

G

-

I

I

V

I

V

V

T

A

R

R

T

T

D

D

S

A

L

D

G

A

A

A

G

D

L

L

T

-

K

-

Q

-

I

I

A

T

V

S

S

D

H

I

K

D

P

P

G

V

D

D

L

-

G

-

D

-

Q

-

Y

-

N

K

S

A

F

F

L

I

D

T

V

G

E

E

E

R

V

T

P

P

A

E

G

G

G

F

G

-

A

-

N

-

G

-

D

-

V

-

I

-

I

-

N

-

R

-

D

-

G

-

K

-

L

-

F

-

R

-

P

-

K

-

R

-

L

-

P

-

S

-

N

-

L

-

F

-

Q

-

F

Y

R

R

K

T

G

N

T

A

G

G

E

L

D

D

R

Q

C

A

V

I

L

A

D

R

S

G

I

L

T

-

S

A

L

Y

Q

A

N

P

G

Y

A

A

D

D

L

L

L

V

W

W

I

C

E

E

T

T

E

S

K

E

P

P

H

N

V

L

E

E

Q

D

I

A

A

K

G

R

M

F

M

A

D

D

R

A

I

I

R

H

A

K

V

E

I

H

P

P

N

G

A

K

K

L

L

L

V

A

Y

Y

N

N

N

C

S

S

P

P

S

S

F

F

N

N

W

W

binding magnesium ion: D103 (= D116), D147 (= D183), K183 (= K219)

6lrtA Crystal structure of isocitrate lyase (caur_3889) from chloroflexus aurantiacus in complex with isocitrate and manganese ion
25% identity, 94% coverage: 14:513/530 of query aligns to 7:406/423 of 6lrtA

query
sites
6lrtA

I

I

K

K

S

Q

K

I

N

A

G

D

T

S

W

W

D

N

G

T

I

P

N

R

A

F

E

A

A

G

V

I

V

V

R

R

M

P

R

Y

L

T

Q

P

N

E

-

D

-

V

-

Y

R

R

F

L

K

R

T

G

G

S

L

V

D

Q

I

I

A

-

K

E

Y

Y

T

T

A

L

A

A

I

R

M

M

R

G

R

A

D

E

M

R

A

L

A

W

Y

N

D

L

A

L

D

H

T

T

T

E

K

P

Y

Y

T

I

Q

N

S

A

L

L

G

G

C

A

W

-

H

-

G

-

F

L

I

T

G

G

Q

N

Q

Q

K

A

V

M

I

Q

S

Q

I

V

K

K

K

A

H

G

F

L

G

-

T

-

T

-

E

-

R

-

R

K

Y

A

L

I

Y

Y

L

L

S

S

G

G

W

W

M

Q

V

V

A

A

A

A

L

D

R

A

S

N

E

L

F

A

G

G

P

Q

L

M

-

Y

P

P

D
|
D

Q

Q

S

S

M

L

H

Y

E

P

K

A

T

N

S

S

V

G

P

P

A

Q

L

L

I

V

E

R

E

N

L

I

Y

N

T

N

F

A

L

L

R

R

Q

R

A

A

D

D

A

-

R

-

E

-

L

-

N

-

D

Q

I

I

F

Y

R

H

A

-

I

-

D

-

A

-

A

-

R

-

K

-

A

-

G

-

D

-

S

-

A

-

K

-

A

-

K

-

E

-

L

-

L

-

T

S

Q

E

A

G

E

R

N

N

H

D

Q

I

T

Y

H

W

V

F

I

A

P

P

I

I

I

V

A

A

D
|
D

I

A

D

E

A

A

G

G

F

F

G

G

N

G

A

P

E

L

A

N

T

V

Y

F

L

E

L

I

A

M

K

K

K

A

M

Y

I

I

E

E

A

A

G

G

A

A

G

A

A

G

L

V

Q

H

I

F

E

E

N

D

Q

Q

V

L

S

A

D

S

E

E

K
|
K

Q

K

C

C

G

G

H

H

Q

M

D

G

G

G

K

K

V

V

T

L

V

I

P

P

H

T

E

Q

D

A

F

A

L

I

A

R

K

N

V

L

R

V

A

A

C

A

R

R

Y

L

A

A

F

A

L

D

E

V

L

M

G

G

V

V

D

P

D

T

G

-

I

I

V

I

V

V

T

A

R

R

T

T

D

D

S

A

L

N

G

A

A

A

G

T

L

L

T

L

K

T

Q

S

I

-

A

-

V

-

S

-

H

-

K

-

P

-

G

-

D

-

L

-

G

-

D

-

Q

-

Y

-

N

-

S

-

F

-

L

-

D

D

V

I

E

D

E

E

V

-

P

-

A

-

G

-

G

-

G

-

A

-

N

-

G

-

D

-

V

-

I

-

I

-

N

-

R

R

D

D

G

R

K

P

L

F

F

C

R

T

P

G

K

E

R

R

L

T

P

S

S

E

N

G

L

F

F

Y

Q

R

F

V

R

R

K

A

G

G

T

L

G

-

E

-

D

D

R

Q

C

A

V

I

L

A

D

R

S

G

I

L

T

-

S

A

L

Y

Q

A

N

P

G

Y

A

A

D

D

L

M

L

I

W

W

I

C

E

E

T

T

E

S

K

E

P

P

H

N

V

L

E

E

Q

E

I

A

A

R

G

R

M

F

M

A

D

E

R

A

I

I

R

H

A

A

V

Q

I

F

P

P

N

G

A

K

K

L

L

L

V

A

Y

Y

N

N

N

C

S

S

P

P

S

S

F

F

N

N

W

W

T

-

I

-

N

-

F

-

R

K

Q

K

Q

K

V

L

Y

D

D

D

A

A

W

-

K

-

E

-

A

-

G

-

K

-

D

T

V

I

S

A

A

A

Y

F

D

Q

R

R

A

E

-

L

G

G

L

A

M

M

D

G

V

Y

K

K

Y

F

D

-

G

-

S

-

D

-

L

-

A

-

A

-

E

-

A

-

D

-

E

-

K

-

I

-

R

-

T

-

F

-

Q

-

A

-

D

-

A

-

S

-

K

-

R

-

A

-

G

-

I

-

F

-

H

-

H

Q

L

F

I

V

T

T

L

L

P

A

T

G

Y

F

H

H

T

A

A

L

A

N

L

Y

S

S

T

M

D

F

N

E

L

L

A

A

K

R

E

N

Y

Y

F

-

G

R

E

D

Q

R

G

G

M

M

L

A

G

A

Y

Y

V

S

L

-

N

E

V

L

Q

Q

R

Q

Q

A

E

E

I

F

R

A

Q

A

K

E

-

A

-

Y

-

G

I

Y

A

T

C

A

A

T

K

R

H

H

Q

Q

N

R

M

E

A

V

G

G

S

T

D

G

I

Y

G

F

D

D

D

E

H

V

K

A

E

Q

Y

V

F

I

A

A

G

G

binding manganese (ii) ion: D104 (= D116), D148 (= D183), K184 (= K219)

7rbxC Crystal structure of isocitrate lyase and phosphorylmutase:isocitrate lyase from brucella melitensis biovar abortus 2308 bound to itaconic acid (see paper)
29% identity, 72% coverage: 8:390/530 of query aligns to 1:319/425 of 7rbxC

query
sites
7rbxC

T

T

E

D

V

F

S

Y

Q

S

L

L

I

I

K

P

S

S

-

A

K

P

N

K

G

G

T

R

W

F

D

D

G

G

I

I

-

E

-

R

-

A

-

H

N

T

A

A

E

E

A

D

V

V

V

K

R

R

M

L

R

R

L

-

Q

-

N

-

R

-

F

-

K

-

T

-

G

G

L

S

D

V

I

E

A

I

K

K

Y

Y

T

S

A

L

A

A

I

E

M

M

R

G

R

A

D

N

M

R

A

L

A

W

Y

K

D

L

A

I

D

H

T

E

T

E

K

D

Y

F

T

V

Q

N

S

A

L

L

G

G

C

A

W

L

H

S

G

G

F

N

I

Q

G

A

Q

M

Q

Q

K

M

V

V

I

R

S

A

I

G

K

L

K

K

H

A

F

-

G

-

T

-

T

-

E

-

R

-

R

-

Y

-

L

I

Y

Y

L

L

S

S

G

G

W

W

M

Q

V

V

A

A

A

A

-

D

L

A

R

N

S

T

E

A

F

S

G

A

P

M

L

Y

P

P

D

D

Q

Q

S

S

M

L

H

Y

E

P

K

A

T

N

S

A

V

G

P

P

A

E

L

L

I

A

E

K

E

R

L

I

Y

N

T

R

F

T

L

L

R

Q

Q

R

A

A

D

D

A

Q

R

I

E

E

L

-

N

-

D

-

I

-

F

-

R

-

A

-

I

-

D

-

A

-

A

-

R

-

K

-

A

-

G

-

D

-

S

T

A

A

K

E

A

G

K

K

E

G

L

L

L

-

T

-

Q

-

A

-

E

-

N

S

H

V

Q

D

T

T

H

W

V

F

I

A

P

P

I

I

I

V

A

A

D

D

I

A

D

E

A

A

G

G

F

F

G

G

N

G

A

P

E

L

A

D

T

A

Y

F

L

E

L

I

A

M

K

K

K

A

M

Y

I

I

E

E

A

A

G

G

A

A

G

A

A

G

L

V

Q

H

I

F

E

E

N

D

Q

Q

V

L

S

A

D

S

E

E

K

K

Q

K

C
|
C

G

G

H
|
H

Q

L

D

G

G

G

K

K

V

V

T

L

V

I

P

P

H

T

E

A

D

A

F

H

L

I

A

R

K

N

V

L

R

N

A

A

C

A

R

R

Y

L

A

A

F

A

L

D

E

V

L

M

G

G

V

T

D

P

D

T

G

-

I

L

V

I

V

V

T

A

R
|
R

T

T

D

D

S

A

L

E

G

A

A

A

G

K

L

L

T

L

K

T

Q

S

I

-

A

-

V

-

S

-

H

-

K

-

P

-

G

-

D

D

L

I

G

D

D

E

Q

R

Y

D

N

Q

S

P

F

F

L

V

D

D

V

Y

E

E

E

-

V

-

P

-

A

A

G

G

G

R

G

T

A

A

N

E

G

G

D

-

V

-

I

-

I

-

N

-

R

-

D

-

G

-

K

-

L

-

F

-

R

-

P

-

K

-

R

-

L

-

P

-

S

-

N

-

L

F

F

Y

Q

Q

F

V

R

K

K

N

G

G

T

I

G

-

E

-

D

E

R

P

C

C

V

I

L

A

D

R

S

A

I

I

T

-

S

A

L

Y

Q

A

N

P

G

Y

A

C

D

D

L

L

L

I

W

W

I

M

E

E

T

T

E

S

K

K

P

P

H

D

V

L

E

A

Q

Q

I

A

A

R

G

R

M

F

M

A

D

E

R

A

I

V

R

H

A

K

V

A

I

H

P

P

N

G

A

K

K

L

L

L

V

A

Y

Y

N

N

N

C

S
|
S

P

P

S
|
S

F

F

N

N

W

W

T

K

I

K

N

N

F

L

binding 2-methylidenebutanedioic acid: C184 (= C221), H186 (= H223), R221 (= R259), S310 (= S381), S312 (= S383)

Sites not aligning to the query:

binding 2-methylidenebutanedioic acid: 342

5e9gD Structural insights of isocitrate lyases from magnaporthe oryzae (see paper)
27% identity, 83% coverage: 74:513/530 of query aligns to 81:486/486 of 5e9gD

query
sites
5e9gD

H

Y

G

G

F

C

I

L

G

E

Q

P

Q

T

K

M

V

V

I

T

S

Q

I

M

K

A

K

K

H

Y

F

L

G

D

T

T

T

-

E

-

R

-

R

-

Y

-

L

V

Y
|
Y

L

V

S
|
S

G
|
G

W
|
W

M

Q

V

S

A

S

A

S

L

T

R

A

S

S

E

S

F

S

G

D

-

E

P

P

L

G

P

P

D
|
D

Q

L

S

A

M

D

H

Y

E

P

K

Y

T

T

S

T

V

V

P

P

A

N

L

K

I

V

E

S

E

H

L

L

Y

F

T

M

F

A

L

Q

R

L

Q

F

A

H

D

D

A

R

R

K

E

Q

L

R

N

H

D

E

I

R

F

L

R

S

A

A

I

P

D

K

A

S

A

E

R

R

K

-

A

-

G

-

D

-

S

-

A

-

K

-

A

-

K

-

E

-

L

-

L

-

T

S

Q

K

A

L

E

Q

N

N

H

I

Q

D

T

-

H

Y

V

L

I

R

P

P

I

I

I

I

A

A

D
|
D

I

A

D
|
D

A

T

G

G

F

H

G

G

N

G

A

L

E

T

A

A

T

V

Y

M

L

K

L

L

A

T

K

K

K

L

M

F

I

I

E

E

A

K

G

G

A

A

G

A

A

G

L

I

Q
x
H

I

I

E
|
E

N

D

Q

Q

V

A

S

P

D

G

E

T

K

K

Q

K

C
|
C

G
|
G

H
|
H

Q

M

D

G

G

G

K

K

V

V

T

L

V

V

P

P

H

I

E

S

D

E

F

H

L

I

A

N

K

R

V

L

R

V

A

A

C

I

R

R

Y

A

A

Q

F

A

L

D

E

I

L

M

G

G

V

V

D

-

D

D

G

L

I

L

V

A

V

I

T

A

R
|
R

T

T

D

D

S

A

L

E

G

A

A

A

G

T

L

L

T

-

K

-

Q

-

I

I

A

T

V

T

S

S

H

I

K

D

P

P

G

R

D

D

-

H

-

A

-

F

-

I

-

L

-

G

-

C

-

T

-

N

-

P

-

S

-

L

-

Q

-

P

L

L

G

A

D

D

Q

L

Y

M

N

N

S

E

F

W

L

M

D

A

V

K

E

A

E

N

V

L

P

K

A

R

G

F

G

D

G

D

A

A

N

V

G

V

D

D

V

A

-

K

-

Y

I

L

I

Q

N

A

R

A

D

K

G

G

K

K

L

S

F

N

R

R

P

E

K

A

R

R

-

A

L

I

P

A

S

S

N

S

L

F

F

F

Q

D

-

W

-

D

-

S

-

P

-

R

-

T

-

R

-

E

-

G

-

Y

F

F

R

R

K

I

G

K

T

G

G

G

E

C

D

D

R

-

C

C

V

A

L

I

D

N

S

R

I

A

T

I

S

A

L

Y

Q

A

N

P

G

Y

A

A

D

D

L

A

L

I

W

W

I

M

E
|
E

T

S

E

K

K

L

P

P

H

D

V

Y

E

E

Q

Q

I

A

A

K

G

E

M

F

M

A

D

E

R

G

I

V

R

H

A

A

V

V

I

Y

P

P

N

E

A
x
Q

K

K

L

L

V

A

Y

Y

N

N

N

L

S
|
S

P

P

S
|
S

F

F

N

N

W

W

T

K

I

A

N

M

F

P

R

R

Q

D

Q

E

V

-

Y

-

D

-

A

-

W

-

K

-

E

-

A

-

G

-

K

Q

D

E

V

T

S

Y

A

I

Y

R

D

R

R

L

A

A

G

G

L

L

M

-

D

-

V

-

K

-

Y

-

D

-

G

-

S

-

D

-

L

-

A

-

A

-

E

-

A

-

D

-

E

-

K

-

I

-

R

-

T

-

F

-

Q

-

A

-

D

-

A

-

S

-

K

-

R

-

A

-

G

G

I

Y

F

C

H

W

H

Q

L

F

I

I

T
|
T

L

L

P

A

T

G

Y

L

H

H

T

T

A

T

A

A

L

L

S

I

T

S

D

D

N

R

L

F

A

A

K

R

E

A

Y

Y

F

-

G

S

E

E

Q

V

G

G

M

M

L

R

G

A

Y

Y

V

G

L

E

N

L

V

V

Q

Q

R

E

Q

P

E

E

I

M

R

E

Q

L

K

G

I

V

A

D

C

V

A

V

K

K

H

H

Q

Q

N

K

M

W

A

S

G

G

S

A

D

T

I

Y

G

V

D

D

D

E

H

L

K

Q

E

K

Y

M

F

V

A

T

G

G

active site: Y100 (= Y98), D119 (= D116), D173 (= D183), D175 (= D185), H200 (≠ Q210), E202 (= E212), C211 (= C221), H213 (= H223), R248 (= R259), E363 (= E351), Q386 (≠ A374), S393 (= S381), S395 (= S383)
binding glyoxylic acid: Y100 (= Y98), S102 (= S100), G103 (= G101), W104 (= W102), D173 (= D183), H200 (≠ Q210), R248 (= R259), T424 (= T450)
binding glycerol: C211 (= C221), G212 (= G222), H213 (= H223), R248 (= R259)

7ebeA Crystal structure of isocitrate lyase-1 from candida albicans (see paper)
25% identity, 81% coverage: 97:525/530 of query aligns to 98:531/544 of 7ebeA

query
sites
7ebeA

L

I

Y
|
Y

L

V

S

S

G
|
G

W
|
W

M

Q

V

C

A

S

A

S

L

T

R

A

S

S

E

T

F

S

G

N

-

E

P

P

L

S

P

P

D
|
D

Q

L

S

A

M

D

H

Y

E

P

K

M

T

D

S

T

V

V

P

P

A

N

L

K

I

V

E

E

E

H

L

L

Y

W

T

-

F

-

L

-

R

-

Q

-

A

-

D

-

A

-

R

-

E

-

L

-

N

-

D

-

I

-

F

F

R

A

A

Q

I

L

D

F

A

H

A

D

R

R

K

K

A

Q

G

R

D

E

S

E

A

-

K

-

A

-

K

R

E

L

L

T

L

L

T

S

Q

K

A

E

E

E

N

R

H

A

Q

K

T

T

H

P

V

Y

I

I

-

D

-

F

-

L

-

R

P

P

I

I

I

I

A

A

D
|
D

I

A

D
|
D

A

T

G

G

F

H

G

G

N

G

A

I

E

T

A

A

T

I

Y

I

L

K

L

L

A

T

K

K

K

M

M

F

I

I

E

E

A

R

G

G

A

A

G

A

A

G

L

I

Q
x
H

I

I

E
|
E

N

D

Q

Q

V

A

S

P

D

G

E

T

K

K

Q

K

C
|
C

G

G

H
|
H

Q

M

D

A

G

G

K

K

V

V

T

L

V

V

P

P

H

V

E

Q

D

E

F

H

L

I

A

N

K

R

V

L

R

V

A

A

C

I

R

R

Y

-

A

A

F

S

L

A

E

D

L

I

G

F

V

G

D

S

D

N

G

L

I

L

V

A

V

V

T

A

R
|
R

T

T

D

D

S

S

L

E

G

A

A

A

G

T

L

L

T

I

K

T

Q

S

I

T

-

I

-

D

-

H

-

R

-

D

-

H

-

Y

-

F

-

I

-

I

-

G

A

A

V

T

S

N

H

P

K

E

P

A

G

G

D

D

L

L

-

A

-

A

-

L

-

M

-

A

-

E

-

A

-

E

-

S

-

K

G

G

D

I

Q

Y

Y

G

N

N

S

E

F

L

L

A

D

A

V

I

E

E

-

S

-

E

-

W

-

T

-

K

-

K

-

A

-

G

-

L

-

K

-

L

-

F

-

H

-

E

-

A

-

V

-

I

-

D

E

E

V

I

P

K

A

N

G

G

G

N

G

Y

A

S

N

N

G

K

D

D

V

A

I

L

I

I

N

K

R

K

D

F

G

T

K

D

L

K

F

V

R

N

P

P

-

L

-

S

-

H

-

T

-

S

-

H

-

K

-

E

-

A

K

K

R

K

L

L

P

A

S

K

N

E

L

L

-

T

-

G

-

K

-

D

-

I

-

Y

-

F

-

N

-

W

-

D

-

V

-

A

-

R

-

A

-

R

-

E

-

G

-

Y

F

Y

Q

R

F

Y

R

Q

K

G

G

G

T

T

G

-

E

-

D

-

R

Q

C

C

V

A

L

V

D

M

S

R

I

G

T

R

S

A

L

F

Q

A

N

P

G

Y

A

A

D

D

L

L

L

I

W

W

I

M

E
|
E

T

S

E

A

K

L

P

P

H

D

V

Y

E

A

Q

Q

I

A

A

K

G

E

M

F

M

A

D

D

R

G

I

V

R

K

A

A

V

A

I

V

P

P

N

D

A
x
Q

K

W

L

L

V

A

Y

Y

N

N

N

L

S
|
S

P

P

S
|
S

F

F

N

N

W

W

T

-

I

-

N

-

F

-

R

-

Q

-

Q

-

V

-

Y

-

D

-

A

-

W

-

K

-

E

-

A

-

G

-

K

-

D

-

V

-

S

-

A

-

Y

-

D

-

R

-

A

-

G

-

L

-

M

-

D

-

V

-

K

-

Y

-

D

-

G

-

S

-

D

N

L

K

A

A

A

M

E

P

A

A

D

D

E

E

K

Q

I

-

R

E

T

T

F

Y

Q

I

A

K

D

R

A

L

S

G

K

K

R

-

A

L

G

G

I

Y

F

V

H

W

H

Q

L

F

I

I

T

T

L

L

P

A

T

G

Y

L

H

H

T

T

A

T

A

A

L

L

S

A

T

V

D

D

N

D

L

F

A

S

K

N

E

Q

Y

Y

F

-

G

S

E

Q

Q

I

G

G

M

M

L

K

G

A

Y

Y

V

G

L

Q

N

T

V

V

Q

Q

R

Q

Q

P

E

E

I

I

R

E

Q

K

K

G

I

V

A

E

C

V

A

V

K

K

H

H

Q

Q

N

K

M

W

A

S

G

G

S

A

D

-

I

-

G

-

D

-

D

-

H

-

K

-

E

T

Y

Y

F

I

A

D

G

G

E

L

A

L

A

K

L

M

K

V

A

S

G

G

G

G

A

V

D

T

N

S

T

T

active site: Y99 (= Y98), D118 (= D116), D172 (= D183), D174 (= D185), H199 (≠ Q210), E201 (= E212), C210 (= C221), H212 (= H223), R247 (= R259), E402 (= E351), Q425 (≠ A374), S432 (= S381), S434 (= S383)
binding magnesium ion: G102 (= G101), W103 (= W102), D172 (= D183)

5e9gC Structural insights of isocitrate lyases from magnaporthe oryzae (see paper)
27% identity, 82% coverage: 74:506/530 of query aligns to 81:494/499 of 5e9gC

query
sites
5e9gC

H

Y

G

G

F

C

I

L

G

E

Q

P

Q

T

K

M

V

V

I

T

S

Q

I

M

K

A

K

K

H

Y

F

L

G

D

T

T

T

-

E

-

R

-

R

-

Y

-

L

V

Y
|
Y

L

V

S
|
S

G

G

W
|
W

M

Q

V

S

A

S

A

S

L

T

R

A

S

S

E

S

F

S

G

D

-

E

P

P

L

G

P

P

D
|
D

Q

L

S

A

M

D

H

Y

E

P

K

Y

T

T

S

T

V

V

P

P

A

N

L

K

I

V

E

S

E

H

L

L

Y

F

T

M

F

A

L

Q

R

L

Q

F

A

H

D

D

A

R

R

K

E

Q

L

R

N

H

D

E

I

R

F

L

R

S

A

A

I

P

D

K

A

S

A

E

R

R

K

-

A

-

G

-

D

-

S

-

A

-

K

-

A

-

K

-

E

-

L

-

L

-

T

S

Q

K

A

L

E

Q

N

N

H

I

Q

D

T

-

H

Y

V

L

I

R

P

P

I

I

I

I

A

A

D
|
D

I

A

D
|
D

A

T

G

G

F

H

G

G

N

G

A

L

E

T

A

A

T

V

Y

M

L

K

L

L

A

T

K

K

K

L

M

F

I

I

E

E

A

K

G

G

A

A

G

A

A

G

L

I

Q
x
H

I

I

E
|
E

N

D

Q

Q

V

A

S

P

D

G

E

T

K

K

Q

K

C
|
C

G

G

H
|
H

Q

M

D

G

G

G

K

K

V

V

T

L

V

V

P

P

H

I

E

S

D

E

F

H

L

I

A

N

K

R

V

L

R

V

A

A

C

I

R

R

Y

A

A

Q

F

A

L

D

E

I

L

M

G

G

V

V

D

-

D

D

G

L

I

L

V

A

V

I

T

A

R
|
R

T

T

D

D

S

A

L

E

G

A

A

A

G

T

L

L

T

-

K

-

Q

-

I

I

A

T

V

T

S

S

H

I

K

D

P

P

G

R

D

D

-

H

-

A

-

F

-

I

-

L

-

G

-

C

-

T

-

N

-

P

-

S

-

L

-

Q

-

P

L

L

G

A

D

D

Q

L

Y

M

N

N

S

T

F

A

L

I

D

E

V

D

E

E

E

W

V

M

P

A

A

K

G

A

G

N

-

L

-

K

-

R

-

F

-

D

G

D

A

A

N

V

G

V

D

D

V

V

I

I

I

N

N

A

R

K

-

Y

-

L

-

Q

-

A

-

A

D

K

G

G

K

K

L

S

F

N

R

R

P

E

K

A

R

R

-

A

-

I

-

A

-

S

-

S

-

L

-

G

L

V

P

P

S

E

N

I

L

F

F

F

Q

D

-

W

-

D

-

S

-

P

-

R

-

T

-

R

-

E

-

G

-

Y

F

F

R

R

K

I

G

K

T

G

G

G

E

C

D

D

R

-

C

C

V

A

L

I

D

N

S

R

I

A

T

I

S

A

L

Y

Q

A

N

P

G

Y

A

A

D

D

L

A

L

I

W

W

I

M

E
|
E

T

S

E

K

K

L

P

P

H

D

V

Y

E

E

Q

Q

I

A

A

K

G

E

M

F

M

A

D

E

R

G

I

V

R

H

A

A

V

V

I

Y

P

P

N

E

A
x
Q

K

K

L

L

V

A

Y

Y

N

N

N

L

S
|
S

P

P

S
|
S

F

F

N

N

W

W

T

K

I

T

N

A

F

M

R

P

Q

R

Q

D

V

-

Y

-

D

-

A

-

W

-

K

-

E

-

A

-

G

-

K

-

D

-

V

-

S

-

A

-

Y

-

D

-

R

-

A

-

G

-

L

-

M

-

D

-

V

-

K

-

Y

-

D

-

G

-

S

-

D

-

L

-

A

-

A

-

E

E

A

Q

D

E

E

T

K

Y

I

I

R

R

T

R

F

L

Q

A

A

G

D

-

A

-

S

-

K

-

R

-

A

L

G

G

I

Y

F

C

H

W

H

Q

L

F

I

I

T

T

L

L

P

A

T

G

Y

L

H

H

T

T

A

T

A

A

L

L

S

I

T

S

D

D

N

R

L

F

A

A

K

R

E

A

Y

Y

F

-

G

S

E

E

Q

V

G

G

M

M

L

R

G

A

Y

Y

V

G

L

E

N

L

V

V

Q

Q

R

E

Q

P

E

E

I

M

R

E

Q

L

K

G

I

V

A

D

C

V

A

V

K

K

H

H

Q

Q

N

K

M

W

A

S

G

G

S

A

D

T

I

Y

G

V

D

D

D

E

active site: Y100 (= Y98), D119 (= D116), D173 (= D183), D175 (= D185), H200 (≠ Q210), E202 (= E212), C211 (= C221), H213 (= H223), R248 (= R259), E377 (= E351), Q400 (≠ A374), S407 (= S381), S409 (= S383)
binding glyoxylic acid: Y100 (= Y98), S102 (= S100), W104 (= W102), R248 (= R259)

6xppA Crystal structure of itaconate modified mycobaterium tuberculosis isocitrate lyase (see paper)
29% identity, 55% coverage: 95:386/530 of query aligns to 85:319/426 of 6xppA

query
sites
6xppA

R

K

Y

A

L

I

Y
|
Y

L

L

S

S

G

G

W
|
W

M

Q

V

V

A

A

A

G

L

D

R

A

S

N

E

L

F

S

G

G

-

H

P

T

L

Y

P

P

D
|
D

Q

Q

S

S

M

L

H

Y

E

P

K

A

T

N

S

S

V

V

P

P

A

Q

L

V

I

V

E

R

E

R

L

I

Y

N

T

N

F

A

L

L

R

Q

Q

R

A

A

D

D

A

-

R

-

E

-

L

-

N

-

D

-

I

-

F

-

R

-

A

-

I

-

D

Q

A

I

A

A

R

K

K

I

A

E

G

G

D

D

S

-

A

-

K

-

A

-

K

-

E

-

L

-

L

-

T

T

Q

S

A

V

E

E

N

N

H

W

Q

-

T

-

H

-

V

L

I

A

P

P

I

I

I

V

A

A

D
|
D

I

G

D
x
E

A

A

G

G

F

F

G

G

N

G

A

A

E

L

A

N

T

V

Y

Y

L

E

L

L

A

Q

K

K

K

A

M

L

I

I

E

A

A

A

G

G

A

V

G

A

A

G

L

S

Q
x
H

I

W

E
|
E

N

D

Q

Q

V

L

S

A

D

S

E

E

K

K

Q

K

C
|
C

G

G

H
|
H

Q

L

D

G

G

G

K

K

V

V

T

L

V

I

P

P

H

T

E

Q

D

Q

F

H

L

I

A

R

K

T

V

L

R

T

A

S

C

A

R

R

Y

L

A

A

F

-

L

A

E

D

L

V

G

A

V

D

D

V

D

P

G

T

I

V

V

V

V

I

T

A

R
|
R

T

T

D

D

S

A

L

E

G

A

A

A

G

T

L

L

T

I

K

T

Q

S

I

-

A

-

V

-

S

-

H

-

K

-

P

-

G

-

D

-

L

-

G

-

D

-

Q

-

Y

-

N

-

S

-

F

-

L

-

D

D

V

V

E

D

E

E

V

-

P

-

A

-

G

-

G

-

G

-

A

-

N

-

G

-

D

-

V

-

I

-

I

-

N

-

R

R

D

D

G

Q

K

P

L

F

F

I

R

T

P

G

K

E

R

R

L

T

P

R

S

E

N

G

L

F

F

Y

Q

R

F

T

R

K

K

N

G

G

T

I

G

-

E

-

D

E

R

P

C

C

V

I

L

A

D

R

S

A

I

-

T

K

S

A

L

Y

Q
x
A

N

P

G

F

A
|
A

D

D

L

L

L

I

W

W

I

M

E
|
E

T

T

E

G

K

T

P

P

H

D

V

L

E

E

Q

A

I

A

A

R

G

Q

M

F

M

S

D

E

R

A

I

V

R

K

A

A

V

E

I

Y

P

P

N

D

A
x
Q

K

M

L

L

V

A

Y

Y

N
|
N

N

C

S
|
S

P

P

S
|
S

F

F

N

N

W

W

active site: Y88 (= Y98), D107 (= D116), D152 (= D183), E154 (≠ D185), H179 (≠ Q210), E181 (= E212), C190 (= C221), H192 (= H223), R227 (= R259), E284 (= E351), Q307 (≠ A374), S314 (= S381), S316 (= S383)
binding 2-methylidenebutanedioic acid: W92 (= W102), C190 (= C221), H192 (= H223), R227 (= R259), N312 (= N379), S314 (= S381), S316 (= S383)
binding magnesium ion: A275 (≠ Q342), A278 (= A345), Q307 (≠ A374)

Sites not aligning to the query:

binding 2-methylidenebutanedioic acid: 346

6c4aA Crystal structure of 3-nitropropionate modified isocitrate lyase from mycobacterium tuberculosis with pyruvate (see paper)
29% identity, 55% coverage: 95:386/530 of query aligns to 87:321/428 of 6c4aA

query
sites
6c4aA

R

K

Y

A

L

I

Y
|
Y

L

L

S
|
S

G
|
G

W
|
W

M

Q

V

V

A

A

A

G

L

D

R

A

S

N

E

L

F

S

G

G

-

H

P

T

L

Y

P

P

D
|
D

Q

Q

S

S

M

L

H

Y

E

P

K

A

T

N

S

S

V

V

P

P

A

Q

L

V

I

V

E

R

E

R

L

I

Y

N

T

N

F

A

L

L

R

Q

Q

R

A

A

D

D

A

-

R

-

E

-

L

-

N

-

D

-

I

-

F

-

R

-

A

-

I

-

D

Q

A

I

A

A

R

K

K

I

A

E

G

G

D

D

S

-

A

-

K

-

A

-

K

-

E

-

L

-

L

-

T

T

Q

S

A

V

E

E

N

N

H

W

Q

-

T

-

H

-

V

L

I

A

P

P

I

I

I

V

A

A

D
|
D

I

G

D
x
E

A

A

G

G

F

F

G

G

N

G

A

A

E

L

A

N

T

V

Y

Y

L

E

L

L

A

Q

K

K

K

A

M

L

I

I

E

A

A

A

G

G

A

V

G

A

A

G

L

S

Q
x
H

I

W

E
|
E

N

D

Q

Q

V

L

S

A

D

S

E

E

K

K

Q

K

C
|
C

G

G

H
|
H

Q

L

D

G

G

G

K

K

V

V

T

L

V

I

P

P

H

T

E

Q

D

Q

F

H

L

I

A

R

K

T

V

L

R

T

A

S

C

A

R

R

Y

L

A

A

F

-

L

A

E

D

L

V

G

A

V

D

D

V

D

P

G

T

I

V

V

V

V

I

T

A

R
|
R

T

T

D

D

S

A

L

E

G

A

A

A

G

T

L

L

T

I

K

T

Q

S

I

-

A

-

V

-

S

-

H

-

K

-

P

-

G

-

D

-

L

-

G

-

D

-

Q

-

Y

-

N

-

S

-

F

-

L

-

D

D

V

V

E

D

E

E

V

-

P

-

A

-

G

-

G

-

G

-

A

-

N

-

G

-

D

-

V

-

I

-

I

-

N

-

R

R

D

D

G

Q

K

P

L

F

F

I

R

T

P

G

K

E

R

R

L

T

P

R

S

E

N

G

L

F

F

Y

Q

R

F

T

R

K

K

N

G

G

T

I

G

-

E

-

D

E

R

P

C

C

V

I

L

A

D

R

S

A

I

-

T

K

S

A

L

Y

Q
x
A

N

P

G

F

A
|
A

D

D

L

L

L

I

W
|
W

I

M

E
|
E

T

T

E

G

K

T

P

P

H

D

V

L

E

E

Q

A

I

A

A

R

G

Q

M

F

M

S

D

E

R

A

I

V

R

K

A

A

V

E

I

Y

P

P

N

D

A
x
Q

K

M

L

L

V

A

Y

Y

N

N

N

C

S
|
S

P

P

S
|
S

F

F

N

N

W

W

active site: Y90 (= Y98), D109 (= D116), D154 (= D183), E156 (≠ D185), H181 (≠ Q210), E183 (= E212), C192 (= C221), H194 (= H223), R229 (= R259), E286 (= E351), Q309 (≠ A374), S316 (= S381), S318 (= S383)
binding magnesium ion: A277 (≠ Q342), A280 (= A345), Q309 (≠ A374)
binding pyruvic acid: Y90 (= Y98), S92 (= S100), G93 (= G101),