SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing 5208774 Shew_1276 isocitrate lyase (RefSeq) 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)

P0A9G6 Isocitrate lyase; ICL; Isocitrase; Isocitratase; EC 4.1.3.1 from Escherichia coli (strain K12) (see 3 papers)
81% identity, 96% coverage: 18:450/450 of query aligns to 3:434/434 of P0A9G6

query
sites
P0A9G6

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SGW 91:93 (= SGW 107:109) binding
D157 (= D173) binding
C195 (= C211) active site, Proton acceptor; mutation to A: Large decrease in activity.; mutation to S: Large decrease in activity.
A219 (= A235) mutation to C: Isocitrate lyase activity is reduced compared to the wild-type.
R232 (= R248) binding

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)
80% identity, 92% coverage: 18:433/450 of query aligns to 2:416/416 of 1igwC

query
sites
1igwC

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active site: Y88 (= Y105), D107 (= D124), D156 (= D173), E158 (= E175), H183 (= H200), E185 (= E202), C194 (= C211), R231 (= R248), E288 (= E305), K311 (≠ Q328), S318 (= S335), S320 (= S337)
binding pyruvic acid: Y88 (= Y105), S90 (= S107), G91 (= G108), W92 (= W109), D156 (= D173), H183 (= H200), R231 (= R248), W286 (= W303), T350 (= T367)

1igwA Crystal structure of the isocitrate lyase from the a219c mutant of escherichia coli (see paper)
76% identity, 92% coverage: 18:433/450 of query aligns to 2:396/396 of 1igwA

query
sites
1igwA

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V

A

S

H

H

Q

Q

Q

Q

E

E

V

V

G

G

T

T

G

G

Y

Y

F

F

D

D

K

K

V

V

T

T

N

T

V

I

I

I

Q

Q

G

G

active site: Y88 (= Y105), D107 (= D124), D156 (= D173), E158 (= E175), H183 (= H200), E185 (= E202), C194 (= C211), R227 (= R248), E284 (= E305), K307 (≠ Q328)
binding pyruvic acid: Y88 (= Y105), S90 (= S107), G91 (= G108), W92 (= W109), D156 (= D173), H183 (= H200), R227 (= R248), T330 (= T367)

6lrtA Crystal structure of isocitrate lyase (caur_3889) from chloroflexus aurantiacus in complex with isocitrate and manganese ion
68% identity, 96% coverage: 17:450/450 of query aligns to 1:423/423 of 6lrtA

query
sites
6lrtA

I

M

S

D

R

R

Q

A

Q

A

Q

Q

I

I

D

K

A

Q

I

I

K

A

Q

D

D

S

W

W

A

-

E

N

N

T

P

P

R

R

W

F

A

A

G

G

V

I

R

V

R

R

P

P

Y

Y

S

T

A

P

E

E

D

D

V

V

V

Y

A

R

L

L

R

R

G

G

S

S

I

V

V

Q

P

I

E

E

N

Y

T

T

L

L

A

A

T

R

R

M

G

G

A

A

E

E

K

R

L

L

W

W

Q

N

L

L

V

L

N

H

G

-

G

-

A

-

K

T

K

E

G

P

Y

Y

V

I

N

N

S

A

L

L

G

G

A

A

L

L

T

T

G

G

G

N

Q

Q

A

A

V

M

Q

Q

Q

Q

A

V

K

K

A

A

G

G

I

L

E

K

A

A

I

I

Y

Y

L

L

S

S

G

G

W

W

Q

Q

V

V

A

A

A

A

D

D

A

A

N

N

L

L

A

A

G

G

T

Q

M

M

Y

Y

P

P

D
|
D

Q

Q

S

S

L

L

Y

Y

P

P

A

A

N

N

S

S

V

G

P

P

A

Q

V

L

V

V

Q

R

R

N

I

I

N

N

N

N

S

A

F

L

R

R

R

R

A

A

D

D

Q

Q

I

I

Q

Y

W

H

S

S

N

-

E

-

I

-

D

E

P

G

Q

R

D

N

E

D

R

I

Y

Y

T

-

D

-

Y

W

F

F

L

A

P

P

I

I

V

V

A

A

D
|
D

A

A

E

E

A

A

G

G

F

F

G

G

G

G

V

P

L

L

N

N

A

V

Y

F

E

E

L

I

M

M

K

K

N

A

M

Y

I

I

D

E

A

A

G

G

A

A

A

A

G

G

V

V

H

H

F

F

E

E

D

D

Q

Q

L

L

A

A

S

S

V

E

K
|
K

K

K

C

C

G

G

H

H

M

M

G

G

G

G

K

K

V

V

L

L

V

I

P

P

T

T

Q

Q

E

A

A

A

V

I

Q

R

K

N

L

L

V

V

S

A

A

A

R

R

L

L

A

A

A

A

D

D

V

V

S

M

G

G

V

V

P

P

T

T

L

I

V

I

I

V

A

A

R

R

T

T

D

D

A

A

N

N

A

A

A

A

D

T

L

L

L

L

T

T

S

S

D

D

C

I

D

D

P

E

Y

R

D

D

R

R

D

P

F

F

I

C

T

T

G

G

E

E

R

R

T

T

S

S

E

E

G

G

F

F

Y

Y

R

R

V

V

N

R

A

A

G

G

I

L

D

D

Q

Q

A

A

I

I

S

A

R

R

G

G

L

L

A

A

Y

Y

A

A

P

P

Y

Y

A

A

D

D

L

M

I

I

W

W

C

C

E

E

T

T

A

S

K

E

P

P

D

N

L

L

E

E

E

E

A

A

R

R

R

R

F

F

A

A

E

E

A

A

I

I

H

H

A

A

Q

Q

Y

F

P

P

D

G

Q

K

L

L

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

K

N

K

L

L

D

D

D

D

A

A

T

T

I

I

A

A

R

A

F

F

Q

Q

Q

R

E

E

L

L

S

G

D

A

M

M

G

G

Y

Y

K

K

Y

F

Q

Q

F

F

I

V

T

T

L

L

A

A

G

G

I

F

H

H

N

A

M

L

W

N

Y

Y

N

S

M

M

F

F

D

E

L

L

A

A

Y

R

D

N

Y

Y

A

-

R

R

G

D

E

R

G

G

M

M

K

A

H

A

Y

Y

V

S

E

E

K

-

V

L

Q

Q

E

Q

V

A

E

E

F

F

A

A

A

A

A

E

K

A

K

Y

G

G

Y

Y

T

T

F

A

V

T

A

R

H

H

Q

Q

Q

R

E

E

V

V

G

G

T

T

G

G

Y

Y

F

F

D

D

K

E

V

V

T

A

N

Q

V

V

I

I

Q

A

G

G

G

G

E

E

S

I

S

S

V

T

T

T

A

A

L

L

T

T

G

G

S

S

T

T

E

E

E

E

E

E

Q

Q

F

F

binding manganese (ii) ion: D104 (= D124), D148 (= D173), K184 (= K209)

7cmyC Isocitrate lyase from bacillus cereus atcc 14579 in complex with magnessium ion, glyoxylate, and succinate
66% identity, 96% coverage: 19:450/450 of query aligns to 1:417/417 of 7cmyC

query
sites
7cmyC

R

K

Q

N

Q

E

Q

R

I

I

D

E

A

K

I

L

K

Q

Q

E

D

S

W

W

A

E

E

L

N

D

P

E

R

R

W

W

A

E

G

G

V

I

R

T

R

R

P

P

Y

Y

S

S

A

A

E

E

D

D

V

V

V

I

A

R

L

L

R

R

G

G

S

S

I

I

V

D

P

I

E

E

N

H

T

T

L

L

A

A

T

R

R

R

G

G

A

A

E

E

K

K

L

L

W

W

Q

T

L

S

V

L

N

H

G

-

G

-

A

-

K

T

K

E

G

D

Y

Y

V

I

N

N

S

A

L

L

G

G

A

A

L

L

T

T

G

G

G

N

Q

Q

A

A

V

M

Q

Q

Q

Q

A

V

K

K

A

A

G

G

I

L

E

K

A

A

I

I

Y

Y

L

L

S

S

G

G

W

W

Q

Q

V

V

A

A

A

A

D

D

A

A

N

N

L

L

A

S

G

G

T

H

M

M

Y

Y

P

P

D
|
D

Q

Q

S

S

L

L

Y

Y

P

P

A

A

N

N

S

S

V

V

P

P

A

A

V

V

V

V

Q

K

R

R

I

I

N

N

N

Q

S

T

F

L

R

Q

R

R

A

A

D

D

Q

Q

I

I

Q

Q

W

-

S

-

N

-

E

H

I

M

D

E

P

G

Q

S

D

D

E

D

R

-

Y

-

T

T

D

D

Y

Y

F

F

L

V

P

P

I

I

V

V

A

A

D
|
D

A

A

E

E

A

A

G

G

F

F

G

G

G

G

V

Q

L

L

N

N

A

V

Y

F

E

E

L

L

M

M

K

K

N

G

M

M

I

I

D

E

A

A

G

G

A

A

A

S

G

G

V

V

H

H

F

F

E

E

D

D

Q

Q

L

L

A

S

S

S

V

E

K
|
K

K

K

C

C

G

G

H

H

M

L

G

G

G

G

K

K

V

V

L

L

V

L

P

P

T

T

Q

Q

E

T

A

A

V

V

Q

R

K

N

L

L

V

I

S

S

A

A

R

R

L

L

A

A

A

A

D

D

V

V

S

M

G

G

V

V

P

P

T

T

L

I

V

I

I

V

A

A

R

R

T

T

D

D

A

A

N

D

A

A

A

A

D

D

L

L

L

I

T

T

S

S

D

D

C

I

D

D

P

P

Y

V

D

D

R

K

D

A

F

F

I

I

T

T

G

G

E

E

R

R

T

T

S

P

E

E

G

G

F

F

Y

Y

R

R

V

T

N

N

A

A

G

G

I

L

D

D

Q

Q

A

A

I

I

S

A

R

R

G

G

L

L

A

A

Y

Y

A

A

P

P

Y

Y

A

A

D

D

L

L

I

V

W

W

C

C

E

E

T

T

A

S

K

E

P

P

D

N

L

L

E

E

E

D

A

A

R

K

R

R

F

F

A

A

E

D

A

A

I

I

H

H

A

K

Q

E

Y

H

P

P

D

G

Q

K

L

L

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

-

D

-

A

-

T

-

I

-

A

A

R

S

F

F

Q

Q

Q

K

E

E

L

I

S

A

D

S

M

Y

G

G

Y

Y

K

K

Y

F

Q

Q

F

F

I

V

T

T

L

L

A

A

G

G

I

F

H

H

N

S

M

L

W

N

Y

Y

N

G

M

M

F

F

D

E

L

L

A

A

Y

R

D

G

Y

Y

A

-

R

K

G

E

E

R

G

G

M

M

K

A

H

A

Y

Y

V

S

E

E

K

-

V

L

Q

Q

E

Q

V

A

E

E

F

F

A

A

A

A

A

E

K

K

K

H

G

G

Y

Y

T

S

F

A

V

T

A

R

H

H

Q

Q

Q

R

E

E

V

V

G

G

T

T

G

G

Y

Y

F

F

D

D

K

E

V

V

T

A

N

Q

V

V

I

I

Q

T

G

G

G

G

E

T

S

S

S

S

V

T

T

T

A

A

L

L

T

K

G

G

S

S

T

T

E

E

E

E

E

A

Q

Q

F

F

binding magnesium ion: D103 (= D124), D147 (= D173), K183 (= K209)

6xppA Crystal structure of itaconate modified mycobaterium tuberculosis isocitrate lyase (see paper)
65% identity, 94% coverage: 26:450/450 of query aligns to 12:426/426 of 6xppA

query
sites
6xppA

I

I

K

Q

Q

Q

D

E

W

W

A

D

E

T

N

N

P

P

R

R

W

W

A

K

G

D

V

V

R

T

R

R

P

T

Y

Y

S

S

A

A

E

E

D

D

V

V

V

V

A

A

L

L

R

Q

G

G

S

S

I

V

V

V

P

E

E

E

N

H

T

T

L

L

A

A

T

R

R

R

G

G

A

A

E

E

K

V

L

L

W

W

Q

E

L

Q

V

L

N

H

G

-

G

-

A

-

K

D

K

L

G

E

Y

W

V

V

N

N

S

A

L

L

G

G

A

A

L

L

T

T

G

G

G

N

Q

M

A

A

V

V

Q

Q

Q

Q

A

V

K

R

A

A

G

G

I

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

L

L

A

S

G

G

T

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

V

V

P

P

A

Q

V

V

V

V

Q

R

R

R

I

I

N

N

N

N

S

A

F

L

R

Q

R

R

A

A

D

D

Q

Q

I

I

Q

A

W

-

S

-

N

-

E

K

I

I

D

E

P

G

Q

-

D

D

E

T

R

S

Y

V

T

E

D

N

Y

W

F

L

L

A

P

P

I

I

V

V

A

A

D
|
D

A

G

E
|
E

A

A

G

G

F

F

G

G

G

G

V

A

L

L

N

N

A

V

Y

Y

E

E

L

L

M

Q

K

K

N

A

M

L

I

I

D

A

A

A

G

G

A

V

A

A

G

G

V

S

H
|
H

F

W

E
|
E

D

D

Q

Q

L

L

A

A

S

S

V

E

K

K

K

K

C
|
C

G
|
G

H
|
H

M

L

G

G

G

G

K

K

V

V

L

L

V

I

P

P

T

T

Q

Q

E

Q

A

H

V

I

Q

R

K

T

L

L

V

T

S

S

A

A

R

R

L

L

A

A

A

A

D

D

V

V

S

A

G

D

V

V

P

P

T

T

L

V

V

V

I

I

A

A

R
|
R

T

T

D

D

A

A

N

E

A

A

A

A

D

T

L

L

L

I

T

T

S

S

D

D

C

V

D

D

P

E

Y

R

D

D

R

Q

D

P

F

F

I

I

T

T

G

G

E

E

R

R

T

T

S

R

E

E

G

G

F

F

Y

Y

R

R

V

T

N

K

A

N

G

G

I

I

D

E

Q

P

A

C

I

I

S

A

R

R

G

A

L

K

A

A

Y

Y

A
|
A

P

P

Y

F

A
|
A

D

D

L

L

I

I

W

W

C

M

E
|
E

T

T

A

G

K

T

P

P

D

D

L

L

E

E

E

A

A

A

R

R

R

Q

F

F

A

S

E

E

A

A

I

V

H

K

A

A

Q

E

Y

Y

P

P

D

D

Q
|
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

K

K

N

H

L

L

D

D

D

D

A

A

T

T

I

I

A

A

R

K

F

F

Q

Q

Q

K

E

E

L

L

S

A

D

A

M

M

G

G

Y

F

K

K

Y

F

Q

Q

F

F

I

I

T
|
T

L

L

A

A

G

G

I

F

H

H

N

A

M

L

W

N

Y

Y

N

S

M

M

F

F

D

D

L

L

A

A

Y

Y

D

G

Y

Y

A

A

R

Q

G

N

E

Q

G

-

M

M

K

S

H

A

Y

Y

V

V

E

E

K

-

V

L

Q

Q

E

E

V

R

E

E

F

F

A

A

A

A

A

E

K

E

K

R

G

G

Y

Y

T

T

F

A

V

T

A

K

H

H

Q

Q

Q

R

E

E

V

V

G

G

T

A

G

G

Y

Y

F

F

D

D

K

R

V

I

T

A

N

T

V

T

I

V

Q

D

G

P

G

N

E

-

S

S

S

S

V

T

T

T

A

A

L

L

T

T

G

G

S

S

T

T

E

E

E

E

E

G

Q

Q

F

F

active site: Y88 (= Y105), D107 (= D124), D152 (= D173), E154 (= E175), H179 (= H200), E181 (= E202), C190 (= C211), H192 (= H213), R227 (= R248), E284 (= E305), Q307 (= Q328), S314 (= S335), S316 (= S337)
binding 2-methylidenebutanedioic acid: W92 (= W109), D107 (= D124), C190 (= C211), G191 (= G212), H192 (= H213), R227 (= R248), E284 (= E305), N312 (= N333), S314 (= S335), S316 (= S337), T346 (= T367)
binding magnesium ion: A275 (= A296), A278 (= A299), Q307 (= Q328)

7rb1A Isocitrate lyase-1 from mycobacterium tuberculosis covalently modified by 5-descarboxy-5-nitro-d-isocitric acid (see paper)
65% identity, 94% coverage: 26:450/450 of query aligns to 13:427/427 of 7rb1A

query
sites
7rb1A

I

I

K

Q

Q

Q

D

E

W

W

A

D

E

T

N

N

P

P

R

R

W

W

A

K

G

D

V

V

R

T

R

R

P

T

Y

Y

S

S

A

A

E

E

D

D

V

V

V

V

A

A

L

L

R

Q

G

G

S

S

I

V

V

V

P

E

E

E

N

H

T

T

L

L

A

A

T

R

R

R

G

G

A

A

E

E

K

V

L

L

W

W

Q

E

L

Q

V

L

N

H

G

-

G

-

A

-

K

D

K

L

G

E

Y

W

V

V

N

N

S

A

L

L

G

G

A

A

L

L

T

T

G

G

G

N

Q

M

A

A

V

V

Q

Q

Q

Q

A

V

K

R

A

A

G

G

I

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

L

L

A

S

G

G

T

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

V

V

P

P

A

Q

V

V

V

V

Q

R

R

R

I

I

N

N

N

N

S

A

F

L

R

Q

R

R

A

A

D

D

Q

Q

I

I

Q

A

W

-

S

-

N

-

E

K

I

I

D

E

P

G

Q

-

D

D

E

T

R

S

Y

V

T

E

D

N

Y

W

F

L

L

A

P

P

I

I

V

V

A

A

D
|
D

A

G

E

E

A

A

G

G

F

F

G

G

G

G

V

A

L

L

N

N

A

V

Y

Y

E

E

L

L

M

Q

K

K

N

A

M

L

I

I

D

A

A

A

G

G

A

V

A

A

G

G

V

S

H
|
H

F

W

E

E

D

D

Q

Q

L

L

A

A

S

S

V

E

K

K

K

K

C
|
C

G
|
G

H
|
H

M

L

G

G

G

G

K

K

V

V

L

L

V

I

P

P

T

T

Q

Q

E

Q

A

H

V

I

Q

R

K

T

L

L

V

T

S

S

A

A

R

R

L

L

A

A

A

A

D

D

V

V

S

A

G

D

V

V

P

P

T

T

L

V

V

V

I

I

A

A

R
|
R

T

T

D

D

A

A

N

E

A

A

A

A

D

T

L

L

L

I

T

T

S

S

D

D

C

V

D

D

P

E

Y

R

D

D

R

Q

D

P

F

F

I

I

T

T

G

G

E

E

R

R

T

T

S

R

E

E

G

G

F

F

Y

Y

R

R

V

T

N

K

A

N

G

G

I

I

D

E

Q

P

A

C

I

I

S

A

R

R

G

A

L

K

A

A

Y

Y

A
|
A

P

P

Y

F

A
|
A

D

D

L

L

I

I

W
|
W

C

M

E
|
E

T

T

A

G

K

T

P

P

D

D

L

L

E

E

E

A

A

A

R

R

R

Q

F

F

A

S

E

E

A

A

I

V

H

K

A

A

Q

E

Y

Y

P

P

D

D

Q
|
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

K

K

N

H

L

L

D

D

D

D

A

A

T

T

I

I

A

A

R

K

F

F

Q

Q

Q

K

E

E

L

L

S

A

D

A

M

M

G

G

Y

F

K

K

Y

F

Q

Q

F

F

I

I

T
|
T

L
|
L

A

A

G

G

I

F

H

H

N

A

M

L

W

N

Y

Y

N

S

M

M

F

F

D

D

L

L

A

A

Y

Y

D

G

Y

Y

A

A

R

Q

G

N

E

Q

G

-

M

M

K

S

H

A

Y

Y

V

V

E

E

K

-

V

L

Q

Q

E

E

V

R

E

E

F

F

A

A

A

A

A

E

K

E

K

R

G

G

Y

Y

T

T

F

A

V

T

A

K

H

H

Q

Q

Q

R

E

E

V

V

G

G

T

A

G

G

Y

Y

F

F

D

D

K

R

V

I

T

A

N

T

V

T

I

V

Q

D

G

P

G

N

E

-

S

S

S

S

V

T

T

T

A

A

L

L

T

T

G

G

S

S

T

T

E

E

E

E

E

G

Q

Q

F

F

binding dihydroxyacetic acid: Y89 (= Y105), S91 (= S107), G92 (= G108), W93 (= W109), D153 (= D173), H180 (= H200), R228 (= R248), W283 (= W303), T347 (= T367)
binding (3E)-3-(hydroxyimino)propanoic acid: W93 (= W109), D108 (= D124), C191 (= C211), G192 (= G212), H193 (= H213), R228 (= R248), E285 (= E305), N313 (= N333), S315 (= S335), S317 (= S337), T347 (= T367), L348 (= L368)
binding magnesium ion: A276 (= A296), A279 (= A299), Q308 (= Q328)

6wsiA Intact cis-2,3-epoxysuccinic acid bound to isocitrate lyase-1 from mycobacterium tuberculosis (see paper)
65% identity, 94% coverage: 26:450/450 of query aligns to 13:427/427 of 6wsiA

query
sites
6wsiA

I

I

K

Q

Q

Q

D

E

W

W

A

D

E

T

N

N

P

P

R

R

W

W

A

K

G

D

V

V

R

T

R

R

P

T

Y

Y

S

S

A

A

E

E

D

D

V

V

V

V

A

A

L

L

R

Q

G

G

S

S

I

V

V

V

P

E

E

E

N

H

T

T

L

L

A

A

T

R

R

R

G

G

A

A

E

E

K

V

L

L

W

W

Q

E

L

Q

V

L

N

H

G

-

G

-

A

-

K

D

K

L

G

E

Y

W

V

V

N

N

S

A

L

L

G

G

A

A

L

L

T

T

G

G

G

N

Q

M

A

A

V

V

Q

Q

Q

Q

A

V

K

R

A

A

G

G

I

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

L

L

A

S

G

G

T

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

V

V

P

P

A

Q

V

V

V

V

Q

R

R

R

I

I

N

N

N

N

S

A

F

L

R

Q

R

R

A

A

D

D

Q

Q

I

I

Q

A

W

-

S

-

N

-

E

K

I

I

D

E

P

G

Q

-

D

D

E

T

R

S

Y

V

T

E

D

N

Y

W

F

L

L

A

P

P

I

I

V

V

A

A

D
|
D

A

G

E
|
E

A

A

G

G

F

F

G

G

G

G

V

A

L

L

N

N

A

V

Y

Y

E

E

L

L

M

Q

K

K

N

A

M

L

I

I

D

A

A

A

G

G

A

V

A

A

G

G

V

S

H
|
H

F

W

E
|
E

D

D

Q

Q

L

L

A

A

S

S

V

E

K

K

K

K

C
|
C

G
|
G

H
|
H

M

L

G

G

G

G

K

K

V

V

L

L

V

I

P

P

T

T

Q

Q

E

Q

A

H

V

I

Q

R

K

T

L

L

V

T

S

S

A

A

R

R

L

L

A

A

A

A

D

D

V

V

S

A

G

D

V

V

P

P

T

T

L

V

V

V

I

I

A

A

R
|
R

T

T

D

D

A

A

N

E

A

A

A

A

D

T

L

L

L

I

T

T

S

S

D

D

C

V

D

D

P

E

Y

R

D

D

R

Q

D

P

F

F

I

I

T

T

G

G

E

E

R

R

T

T

S

R

E

E

G

G

F

F

Y

Y

R

R

V

T

N

K

A

N

G

G

I

I

D

E

Q

P

A

C

I

I

S

A

R

R

G

A

L

K

A

A

Y

Y

A
|
A

P

P

Y

F

A
|
A

D

D

L

L

I

I

W

W

C

M

E
|
E

T

T

A

G

K

T

P

P

D

D

L

L

E

E

E

A

A

A

R

R

R

Q

F

F

A

S

E

E

A

A

I

V

H

K

A

A

Q

E

Y

Y

P

P

D

D

Q
|
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

K

K

N

H

L

L

D

D

D

D

A

A

T

T

I

I

A

A

R

K

F

F

Q

Q

Q

K

E

E

L

L

S

A

D

A

M

M

G

G

Y

F

K

K

Y

F

Q

Q

F

F

I

I

T
|
T

L
|
L

A

A

G

G

I

F

H

H

N

A

M

L

W

N

Y

Y

N

S

M

M

F

F

D

D

L

L

A

A

Y

Y

D

G

Y

Y

A

A

R

Q

G

N

E

Q

G

-

M

M

K

S

H

A

Y

Y

V

V

E

E

K

-

V

L

Q

Q

E

E

V

R

E

E

F

F

A

A

A

A

A

E

K

E

K

R

G

G

Y

Y

T

T

F

A

V

T

A

K

H

H

Q

Q

Q

R

E

E

V

V

G

G

T

A

G

G

Y

Y

F

F

D

D

K

R

V

I

T

A

N

T

V

T

I

V

Q

D

G

P

G

N

E

-

S

S

S

S

V

T

T

T

A

A

L

L

T

T

G

G

S

S

T

T

E

E

E

E

E

G

Q

Q

F

F

active site: Y89 (= Y105), D108 (= D124), D153 (= D173), E155 (= E175), H180 (= H200), E182 (= E202), C191 (= C211), H193 (= H213), R228 (= R248), E285 (= E305), Q308 (= Q328), S315 (= S335), S317 (= S337)
binding magnesium ion: A276 (= A296), A279 (= A299), Q308 (= Q328)
binding (2R,3S)-oxirane-2,3-dicarboxylic acid: W93 (= W109), D108 (= D124), C191 (= C211), G192 (= G212), H193 (= H213), R228 (= R248), E285 (= E305), N313 (= N333), S315 (= S335), S317 (= S337), T347 (= T367), L348 (= L368)

6vb9A Covalent adduct of cis-2,3-epoxysuccinic acid with isocitrate lyase-1 from mycobacterium tuberculosis (see paper)
65% identity, 94% coverage: 26:450/450 of query aligns to 13:427/427 of 6vb9A

query
sites
6vb9A

I

I

K

Q

Q

Q

D

E

W

W

A

D

E

T

N

N

P

P

R

R

W

W

A

K

G

D

V

V

R

T

R

R

P

T

Y

Y

S

S

A

A

E

E

D

D

V

V

V

V

A

A

L

L

R

Q

G

G

S

S

I

V

V

V

P

E

E

E

N

H

T

T

L

L

A

A

T

R

R

R

G

G

A

A

E

E

K

V

L

L

W

W

Q

E

L

Q

V

L

N

H

G

-

G

-

A

-

K

D

K

L

G

E

Y

W

V

V

N

N

S

A

L

L

G

G

A

A

L

L

T

T

G

G

G

N

Q

M

A

A

V

V

Q

Q

Q

Q

A

V

K

R

A

A

G

G

I

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

L

L

A

S

G

G

T

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

V

V

P

P

A

Q

V

V

V

V

Q

R

R

R

I

I

N

N

N

N

S

A

F

L

R

Q

R

R

A

A

D

D

Q

Q

I

I

Q

A

W

-

S

-

N

-

E

K

I

I

D

E

P

G

Q

-

D

D

E

T

R

S

Y

V

T

E

D

N

Y

W

F

L

L

A

P

P

I

I

V

V

A

A

D
|
D

A

G

E
|
E

A

A

G

G

F

F

G

G

G

G

V

A

L

L

N

N

A

V

Y

Y

E

E

L

L

M

Q

K

K

N

A

M

L

I

I

D

A

A

A

G

G

A

V

A

A

G

G

V

S

H
|
H

F

W

E
|
E

D

D

Q

Q

L

L

A

A

S

S

V

E

K

K

K

K

C
|
C

G

G

H
|
H

M

L

G

G

G

G

K

K

V

V

L

L

V

I

P

P

T

T

Q

Q

E

Q

A

H

V

I

Q

R

K

T

L

L

V

T

S

S

A

A

R

R

L

L

A

A

A

A

D

D

V

V

S

A

G

D

V

V

P

P

T

T

L

V

V

V

I

I

A

A

R
|
R

T

T

D

D

A

A

N

E

A

A

A

A

D

T

L

L

L

I

T

T

S

S

D

D

C

V

D

D

P

E

Y

R

D

D

R

Q

D

P

F

F

I

I

T

T

G

G

E

E

R

R

T

T

S

R

E

E

G

G

F

F

Y

Y

R

R

V

T

N

K

A

N

G

G

I

I

D

E

Q

P

A

C

I

I

S

A

R

R

G

A

L

K

A

A

Y

Y

A
|
A

P

P

Y

F

A
|
A

D

D

L

L

I

I

W
|
W

C

M

E
|
E

T

T

A

G

K

T

P

P

D

D

L

L

E

E

E

A

A

A

R

R

R

Q

F

F

A

S

E

E

A

A

I

V

H

K

A

A

Q

E

Y

Y

P

P

D

D

Q
|
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

K

K

N

H

L

L

D

D

D

D

A

A

T

T

I

I

A

A

R

K

F

F

Q

Q

Q

K

E

E

L

L

S

A

D

A

M

M

G

G

Y

F

K

K

Y

F

Q

Q

F

F

I

I

T
|
T

L

L

A

A

G

G

I

F

H

H

N

A

M

L

W

N

Y

Y

N

S

M

M

F

F

D

D

L

L

A

A

Y

Y

D

G

Y

Y

A

A

R

Q

G

N

E

Q

G

-

M

M

K

S

H

A

Y

Y

V

V

E

E

K

-

V

L

Q

Q

E

E

V

R

E

E

F

F

A

A

A

A

A

E

K

E

K

R

G

G

Y

Y

T

T

F

A

V

T

A

K

H

H

Q

Q

Q

R

E

E

V

V

G

G

T

A

G

G

Y

Y

F

F

D

D

K

R

V

I

T

A

N

T

V

T

I

V

Q

D

G

P

G

N

E

-

S

S

S

S

V

T

T

T

A

A

L

L

T

T

G

G

S

S

T

T

E

E

E

E

E

G

Q

Q

F

F

active site: Y89 (= Y105), D108 (= D124), D153 (= D173), E155 (= E175), H180 (= H200), E182 (= E202), C191 (= C211), H193 (= H213), R228 (= R248), E285 (= E305), Q308 (= Q328), S315 (= S335), S317 (= S337)
binding magnesium ion: A276 (= A296), A279 (= A299), Q308 (= Q328)
binding oxalic acid: Y89 (= Y105), S91 (= S107), G92 (= G108), W93 (= W109), D153 (= D173), H180 (= H200), C191 (= C211), R228 (= R248), W283 (= W303), T347 (= T367)

5dqlA Crystal structure of 2-vinyl glyoxylate modified isocitrate lyase from mycobacterium tuberculosis (see paper)
65% identity, 94% coverage: 26:450/450 of query aligns to 13:427/427 of 5dqlA

query
sites
5dqlA

I

I

K

Q

Q

Q

D

E

W

W

A

D

E

T

N

N

P

P

R

R

W

W

A

K

G

D

V

V

R

T

R

R

P

T

Y

Y

S

S

A

A

E

E

D

D

V

V

V

V

A

A

L

L

R

Q

G

G

S

S

I

V

V

V

P

E

E

E

N

H

T

T

L

L

A

A

T

R

R

R

G

G

A

A

E

E

K

V

L

L

W

W

Q

E

L

Q

V

L

N

H

G

-

G

-

A

-

K

D

K

L

G

E

Y

W

V

V

N

N

S

A

L

L

G

G

A

A

L

L

T

T

G

G

G

N

Q

M

A

A

V

V

Q

Q

Q

Q

A

V

K

R

A

A

G

G

I

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

L

L

A

S

G

G

T

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

V

V

P

P

A

Q

V

V

V

V

Q

R

R

R

I

I

N

N

N

N

S

A

F

L

R

Q

R

R

A

A

D

D

Q

Q

I

I

Q

A

W

-

S

-

N

-

E

K

I

I

D

E

P

G

Q

-

D

D

E

T

R

S

Y

V

T

E

D

N

Y

W

F

L

L

A

P

P

I

I

V

V

A

A

D
|
D

A

G

E
|
E

A

A

G

G

F

F

G

G

G

G

V

A

L

L

N

N

A

V

Y

Y

E

E

L

L

M

Q

K

K

N

A

M

L

I

I

D

A

A

A

G

G

A

V

A

A

G

G

V

S

H
|
H

F

W

E
|
E

D

D

Q

Q

L

L

A

A

S

S

V

E

K

K

K

K

C
|
C

G

G

H
|
H

M

L

G

G

G

G

K

K

V

V

L

L

V

I

P

P

T

T

Q

Q

E

Q

A

H

V

I

Q

R

K

T

L

L

V

T

S

S

A

A

R

R

L

L

A

A

A

A

D

D

V

V

S

A

G

D

V

V

P

P

T

T

L

V

V

V

I

I

A

A

R
|
R

T

T

D

D

A

A

N

E

A

A

A

A

D

T

L

L

L

I

T

T

S

S

D

D

C

V

D

D

P

E

Y

R

D

D

R

Q

D

P

F

F

I

I

T

T

G

G

E

E

R

R

T

T

S

R

E

E

G

G

F

F

Y

Y

R

R

V

T

N

K

A

N

G

G

I

I

D

E

Q

P

A

C

I

I

S

A

R

R

G

A

L

K

A

A

Y

Y

A
|
A

P

P

Y

F

A
|
A

D

D

L

L

I

I

W

W

C

M

E
|
E

T

T

A

G

K

T

P

P

D

D

L

L

E

E

E

A

A

A

R

R

R

Q

F

F

A

S

E

E

A

A

I

V

H

K

A

A

Q

E

Y

Y

P

P

D

D

Q
|
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

K

K

N

H

L

L

D

D

D

D

A

A

T

T

I

I

A

A

R

K

F

F

Q

Q

Q

K

E

E

L

L

S

A

D

A

M

M

G

G

Y

F

K

K

Y

F

Q

Q

F

F

I

I

T
|
T

L
|
L

A

A

G

G

I

F

H

H

N

A

M

L

W

N

Y

Y

N

S

M

M

F

F

D

D

L

L

A

A

Y

Y

D

G

Y

Y

A

A

R

Q

G

N

E

Q

G

-

M

M

K

S

H

A

Y

Y

V

V

E

E

K

-

V

L

Q

Q

E

E

V

R

E

E

F

F

A

A

A

A

A

E

K

E

K

R

G

G

Y

Y

T

T

F

A

V

T

A

K

H

H

Q

Q

Q

R

E

E

V

V

G

G

T

A

G

G

Y

Y

F

F

D

D

K

R

V

I

T

A

N

T

V

T

I

V

Q

D

G

P

G

N

E

-

S

S

S

S

V

T

T

T

A

A

L

L

T

T

G

G

S

S

T

T

E

E

E

E

E

G

Q

Q

F

F

active site: Y89 (= Y105), D108 (= D124), D153 (= D173), E155 (= E175), H180 (= H200), E182 (= E202), C191 (= C211), H193 (= H213), R228 (= R248), E285 (= E305), Q308 (= Q328), S315 (= S335), S317 (= S337)
binding magnesium ion: A276 (= A296), A279 (= A299), Q308 (= Q328)
binding 4-hydroxy-2-oxobutanoic acid: W93 (= W109), D108 (= D124), C191 (= C211), H193 (= H213), N313 (= N333), S315 (= S335), S317 (= S337), T347 (= T367), L348 (= L368)

6c4aA Crystal structure of 3-nitropropionate modified isocitrate lyase from mycobacterium tuberculosis with pyruvate (see paper)
65% identity, 94% coverage: 26:450/450 of query aligns to 14:428/428 of 6c4aA

query
sites
6c4aA

I

I

K

Q

Q

Q

D

E

W

W

A

D

E

T

N

N

P

P

R

R

W

W

A

K

G

D

V

V

R

T

R

R

P

T

Y

Y

S

S

A

A

E

E

D

D

V

V

V

V

A

A

L

L

R

Q

G

G

S

S

I

V

V

V

P

E

E

E

N

H

T

T

L

L

A

A

T

R

R

R

G

G

A

A

E

E

K

V

L

L

W

W

Q

E

L

Q

V

L

N

H

G

-

G

-

A

-

K

D

K

L

G

E

Y

W

V

V

N

N

S

A

L

L

G

G

A

A

L

L

T

T

G

G

G

N

Q

M

A

A

V

V

Q

Q

Q

Q

A

V

K

R

A

A

G

G

I

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

L

L

A

S

G

G

T

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

V

V

P

P

A

Q

V

V

V

V

Q

R

R

R

I

I

N

N

N

N

S

A

F

L

R

Q

R

R

A

A

D

D

Q

Q

I

I

Q

A

W

-

S

-

N

-

E

K

I

I

D

E

P

G

Q

-

D

D

E

T

R

S

Y

V

T

E

D

N

Y

W

F

L

L

A

P

P

I

I

V

V

A

A

D
|
D

A

G

E
|
E

A

A

G

G

F

F

G

G

G

G

V

A

L

L

N

N

A

V

Y

Y

E

E

L

L

M

Q

K

K

N

A

M

L

I

I

D

A

A

A

G

G

A

V

A

A

G

G

V

S

H
|
H

F

W

E