SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_012708863.1 NCBI__GCF_000018545.1:WP_012708863.1 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)

P9WQB3 2-isopropylmalate synthase; Alpha-IPM synthase; Alpha-isopropylmalate synthase; EC 2.3.3.13 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see 2 papers)
53% identity, 95% coverage: 25:562/569 of query aligns to 56:641/644 of P9WQB3

query
sites
P9WQB3

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R80 (= R49) binding 3-methyl-2-oxobutanoate
T254 (= T222) binding 3-methyl-2-oxobutanoate
H285 (= H253) binding 3-methyl-2-oxobutanoate
H287 (= H255) binding 3-methyl-2-oxobutanoate
369:424 (vs. 337:384, 64% identical) Subdomain I
425:433 (vs. 385:393, 78% identical) Linker
434:490 (vs. 394:448, 48% identical) Subdomain II
N532 (≠ T490) binding L-leucine
A536 (≠ D494) binding L-leucine
D563 (≠ S522) binding L-leucine
A565 (= A524) binding L-leucine
P625 (≠ T546) binding L-leucine
I627 (= I548) binding L-leucine

Sites not aligning to the query:

51:368 N-terminal domain
426:644 Required for the condensation reaction. Not required to bind substrate
491:644 Regulatory domain

3hpzB Crystal structure of mycobacterium tuberculosis leua complexed with bromopyruvate
55% identity, 95% coverage: 25:562/569 of query aligns to 39:574/576 of 3hpzB

query
sites
3hpzB

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I

Q

Q

R

K

I

V

T

S

D

P

E

K

E

E

G

-

K

-

E

-

L

-

P

-

S

-

K

-

R

-

I

M

H

W

Q

D

R

A

F

F

V

A

E

E

R

E

Y

Y

V

L

E

-

Q

A

P

P

G

V

A

R

R

P

I

L

K

E

F

R

V

I

D

R

H

Q

H

H

T

V

Y

D

P

A

V

A

S

D

D

D

H

D

K

G

S

G

L

T

R

T

V

S

V

I

A

T

A

A

E

T

I

V

T

K

D

I

R

N

G

G

E

V

T

E

K

T

R

E

I

I

E

S

G

G

K

S

G

G

T

N

G

G

P

P

I

L

D

A

G

A

F

F

I

V

N

H

A

A

L

L

S

A

I

-

Y

D

L

V

G

G

V

F

E

D

L

V

S

A

V

V

A

L

D

D

Y

Y

S

Y

E

E

H

H

S

A

L

M

Q

S

H

A

G

G

S

D

N

D

A

A

A

Q

A

A

I

A

A

A

Y

Y

V

V

E

E

V

A

E

S

-

V

-

T

-

I

H

A

P

T

G

S

G

K

T

T

L

V

F

W

G

G

A

V

G

G

I

I

N

A

T

P

N

S

I

I

V

T

A

T

A

A

S

S

L

L

E

R

A

A

I

V

V

V

S

S

A

A

A

V

N

N

R

R

binding Bromopyruvate: E201 (= E186), P235 (= P220), T237 (= T222), H268 (= H253), H270 (= H255)
binding zinc ion: D64 (= D50), H268 (= H253), H270 (= H255)

3figB Crystal structure of leucine-bound leua from mycobacterium tuberculosis (see paper)
55% identity, 95% coverage: 25:562/569 of query aligns to 39:574/577 of 3figB

query
sites
3figB

V

I

A

R

L

L

P

R

D

N

R

R

T

T

W

W

P

P

S

D

K

R

S

V

I

I

D

D

K

R

A

A

P

P

I

L

W

W

C

C

S

A

V

V

D

D

L

L

R

R

D
|
D

G

G

N

N

Q

Q

S

A

L

L

V

I

D

D

P

P

M

M

G

S

H

P

D

A

R

R

K

K

A

R

R

R

M

M

F

F

H

D

L

L

V

V

D

R

M

M

G

G

F

Y

K

K

E

E

I

I

E

E

I

V

G

G

F

F

P

P

S

S

A

A

S

S

Q

Q

T

T

D

D

F

F

D

D

F

F

A

V

R

R

W

E

C

I

V

I

E

E

E

Q

G

G

D

A

V

I

P

P

A

D

D

D

V

V

S

T

L

I

Q

Q

V

V

L

L

V

T

Q

Q

C

C

R

R

P

P

E

E

L

L

I

I

T

E

R

R

T

T

F

F

E

Q

A

A

L

C

D

S

G

G

A

A

H

P

K

R

P

A

I

I

V

V

H

H

F

F

Y

Y

N

N

S

S

T

T

S

S

E

I

L

L

Q

Q

R

R

V

V

F

F

A

R

K

A

D

N

V

R

A

A

G

E

I

V

K

Q

Q

A

I

I

A

A

T

T

D

D

A

G

A

A

K

R

M

K

I

C

T

V

D

E

M

Q

A

A

K

K

-

Y

A

P

G

G

G

T

G

Q

Y

W

R

R

F

F

E

E

Y

Y

S

S

P

P

E

E

S

S

F

Y

T

T

G

G

T

T

E

E

L

L

E

E

V

Y

A

A

L

K

E

Q

I

V

C

C

N

D

A

A

V

V

T

G

E

E

I

V

V

I

R

A

P

P

T

T

P

P

D

E

N

R

K

P

L

I

I

I

I

F

N

N

L

L

P

P

S

A

T

T

V

V

E

E

M

M

A

T

T

T

P

P

N

N

I

V

Y

Y

A

A

D

D

Q

S

I

I

E

E

W

W

M

M

C

S

R

R

N

N

L

L

D

A

N

N

R

R

E

E

N

S

L

V

L

I

I

L

S

S

L

L

H
|
H

P

P

H
|
H

N

N

D

D

R

R

G

G

T

T

G

A

I

V

A

A

T

A

E

E

L

L

G

G

L

F

M

A

A

A

G

G

A

A

D

D

R

R

V

I

E

E

G

G

T

C

L

L

F

F

G

G

N

N

G

G

E

E

R

R

T

T

G

G

N

N

V

V

D

C

V

L

V

V

T

T

L

L

A

G

L

L

N

N

M

L

F

F

T

S

Q

R

G

G

V

V

D

D

P

P

K

Q

L

I

D

D

C

F

S

S

D

N

I

I

E

D

R

E

I

I

K

R

E

R

V

T

Y

V

E

E

Y

Y

S

C

N

N

Q

Q

M

L

V

P

I

V

P

H

E

E

R

R

H

H

P

P

Y

Y

V

G

G

G

E

D

L

L

V

V

Y

Y

T

T

A

A

F

F

S

S

G

G

S

S

H

H

Q

Q

D

D

A

A

I

I

N

N

K

K

G

G

M

L

K

D

A

A

L

M

K

K

Q

L

A

D

N

A

K

D

P

A

T

A

-

D

-

C

-

D

-

V

-

D

-

M

-

L

W

W

E

Q

V

V

P

P

Y

Y

L

L

P

P

I

I

D

D

P

P

R

R

D

D

V

V

G

G

R

R

S

T

Y

Y

E

E

A

A

I

V

I

I

R

R

I

V

N

N

S

-

Q

-

S

-

G

-

K

K

G

G

I

V

A

A

Y

Y

I

I

M

M

Q

K

E

T

D

D

Y

H

G

G

I

L

N

S

L

L

P

P

R

R

N

R

L

L

Q

Q

I

I

E

E

F

F

R

S

E

Q

D

V

I

I

Q

Q

R

K

I

V

T

S

D

P

E

K

E

E

G

-

K

-

E

-

L

-

P

-

S

-

K

-

R

-

I

M

H

W

Q

D

R

A

F

F

V

A

E

E

R

E

Y

Y

V

L

E

-

Q

A

P

P

G

V

A

R

R

P

I

L

K

E

F

R

V

I

D

R

H

Q

H

H

T

V

Y

D

P

A

V

A

S

D

D

D

H

D

K

G

S

G

L

T

R

T

V

S

V

I

A

T

A

A

E

T

I

V

T

K

D

I

R

N

G

G

E

V

T

E

K

T

R

E

I

I

E

S

G

G

K

S

G

G

T

N

G
|
G

P
|
P

I
x
L

D
x
A

G

A

F

F

I

V

N

H

A

A

L

L

S

A

I

-

Y

D

L

V

G

G

V

F

E

D

L

V

S

A

V

V

A

L

D

D

Y

Y

S

Y

E

E

H

H

S

A

L

M

Q

S

H

A

G

G

S
x
D

N

D

A
|
A

A

Q

A

A

I

A

A

A

Y

Y

V

V

E

E

V

A

E

S

-

V

-

T

-

I

H

A

P

T

G

S

G

K

T

T

L

V

F

W

G

G

A

V

G

G

I

I

N

A

T
x
P

N

S

I
|
I

V

T

A

T

A

A

S

S

L

L

E

R

A

A

I

V

V

V

S

S

A

A

A

V

N

N

R

R

binding leucine: G501 (= G491), P502 (= P492), L503 (≠ I493), A504 (≠ D494), D531 (≠ S522), A533 (= A524), P558 (≠ T546), I560 (= I548)
binding zinc ion: D64 (= D50), H268 (= H253), H270 (= H255)

3hq1A Crystal structure of mycobacterium tuberculosis leua complexed with citrate and mn2+
55% identity, 95% coverage: 25:562/569 of query aligns to 39:571/573 of 3hq1A

query
sites
3hq1A

V

I

A

R

L

L

P

R

D

N

R

R

T

T

W

W

P

P

S

D

K

R

S

V

I

I

D

D

K

R

A

A

P

P

I

L

W

W

C

C

S

A

V

V

D

D

L

L

R

R

D
|
D

G

G

N

N

Q

Q

S

A

L

L

V

I

D

D

P

P

M

M

G

S

H

P

D

A

R

R

K

K

A

R

R

R

M

M

F

F

H

D

L

L

V

V

D

R

M

M

G

G

F

Y

K

K

E

E

I

I

E

E

I

V

G

G

F

F

P

P

S

S

A

A

S

S

Q

Q

T

T

D

D

F

F

D

D

F

F

A

V

R

R

W

E

C

I

V

I

E

E

E

Q

G

G

D

A

V

I

P

P

A

D

D

D

V

V

S

T

L

I

Q

Q

V

V

L

L

V

T

Q

Q

C

C

R

R

P

P

E

E

L

L

I

I

T

E

R

R

T

T

F

F

E

Q

A

A

L

C

D

S

G

G

A

A

H

P

K

R

P

A

I

I

V

V

H

H

F

F

Y

Y

N

N

S

S

T

T

S

S

E

I

L

L

Q

Q

R

R

V

V

F

F

A

R

K

A

D

N

V

R

A

A

G

E

I

V

K

Q

Q

A

I

I

A

A

T

T

D

D

A

G

A

A

K

R

M

K

I

C

T

V

D

E

M

Q

A

A

K

K

-

Y

A

P

G

G

G

T

G

Q

Y

W

R

R

F

F

E

E

Y

Y

S

S

P

P

E

E

S

S

F

Y

T

T

G

G

T

T

E

E

L

L

E

E

V

Y

A

A

L

K

E

Q

I

V

C

C

N

D

A

A

V

V

T

G

E

E

I

V

V

I

R

A

P

P

T

T

P

P

D

E

N

R

K

P

L

I

I

I

I

F

N

N

L

L

P

P

S

A

T

T

V

V

E

E

M

M

A

T

T

T

P

P

N

N

I

V

Y

Y

A

A

D

D

Q

S

I

I

E

E

W

W

M

M

C

S

R

R

N

N

L

L

D

A

N

N

R

R

E

E

N

S

L

V

L

I

I

L

S

S

L

L

H
|
H

P

P

H
|
H

N

N

D

D

R

R

G

G

T

T

G

A

I

V

A

A

T

A

E

E

L

L

G

G

L

F

M

A

A

A

G

G

A

A

D

D

R

R

V

I

E

E

G

G

T

C

L

L

F

F

G

G

N

N

G

G

E

E

R

R

T

T

G

G

N
|
N

V

V

D

C

V

L

V

V

T

T

L

L

A

G

L

L

N

N

M

L

F

F

T

S

Q

R

G

G

V

V

D

D

P

P

K

Q

L

I

D

D

C

F

S

S

D

N

I

I

E

D

R

E

I

I

K

R

E

R

V

T

Y

V

E

E

Y

Y

S

C

N

N

Q

Q

M

L

V

P

I

V

P

H

E

E

R

R

H

H

P

P

Y

Y

V

G

G

G

E

D

L

L

V

V

Y

Y

T

T

A

A

F

F

S

S

G

G

S

S

H

H

Q

Q

D

D

A

A

I

I

N

N

K

K

G

G

M

L

K

D

A

A

L

M

K

K

Q

L

A

D

N

A

K

D

P

A

T

A

-

D

-

C

-

D

-

V

-

D

-

M

-

L

W

W

E

Q

V

V

P

P

Y

Y

L

L

P

P

I

I

D

D

P

P

R

R

D

D

V

V

G

G

R

R

S

T

Y

Y

E

E

A

A

I

V

I

I

R

-

I

-

N

-

S

-

Q

-

S

-

G

-

K

K

G

G

I

V

A

A

Y

Y

I

I

M

M

Q

K

E

T

D

D

Y

H

G

G

I

L

N

S

L

L

P

P

R

R

N

R

L

L

Q

Q

I

I

E

E

F

F

R

S

E

Q

D

V

I

I

Q

Q

R

K

I

I

T

-

D

-

E

-

G

-

K

-

E

E

L

V

P

S

S

P

K

K

R

E

I

M

H

W

Q

D

R

A

F

F

V

A

E

E

R

E

Y

Y

V

L

E

-

Q

A

P

P

G

V

A

R

R

P

I

L

K

E

F

R

V

I

D

R

H

Q

H

H

T

V

Y

D

P

A

V

A

S

D

D

D

H

D

K

G

S

G

L

T

R

T

V

S

V

I

A

T

A

A

E

T

I

V

T

K

D

I

R

N

G

G

E

V

T

E

K

T

R

E

I

I

E

S

G

G

K

S

G

G

T

N

G

G

P

P

I

L

D

A

G

A

F

F

I

V

N

H

A

A

L

L

S

A

I

-

Y

D

L

V

G

G

V

F

E

D

L

V

S

A

V

V

A

L

D

D

Y

Y

S

Y

E

E

H

H

S

A

L

M

Q

S

H

A

G

G

S

D

N

D

A

A

A

Q

A

A

I

A

A

A

Y

Y

V

V

E

E

V

A

E

S

H

V

P

T

-

I

G

S

G

K

T

T

L

V

F

W

G

G

A

V

G

G

I

I

N

A

T

P

N

S

I

I

V

T

A

T

A

A

S

S

L

L

E

R

A

A

I

V

V

V

S

S

A

A

A

V

N

N

R

R

binding manganese (ii) ion: D64 (= D50), H268 (= H253), H270 (= H255), N304 (= N289)

1sr9A Crystal structure of leua from mycobacterium tuberculosis (see paper)
55% identity, 95% coverage: 25:562/569 of query aligns to 39:571/573 of 1sr9A

query
sites
1sr9A

V

I

A

R

L

L

P

R

D

N

R

R

T

T

W

W

P

P

S

D

K

R

S

V

I

I

D

D

K

R

A

A

P

P

I

L

W

W

C

C

S

A

V

V

D

D

L

L

R
|
R

D
|
D

G

G

N

N

Q

Q

S

A

L

L

V

I

D

D

P

P

M

M

G

S

H

P

D

A

R

R

K

K

A

R

R

R

M

M

F

F

H

D

L

L

V

V

D

R

M

M

G

G

F

Y

K

K

E

E

I

I

E

E

I

V

G

G

F

F

P

P

S

S

A

A

S

S

Q

Q

T

T

D

D

F

F

D

D

F

F

A

V

R

R

W

E

C

I

V

I

E

E

E

Q

G

G

D

A

V

I

P

P

A

D

D

D

V

V

S

T

L

I

Q

Q

V

V

L

L

V

T

Q

Q

C

C

R

R

P

P

E

E

L

L

I

I

T

E

R

R

T

T

F

F

E

Q

A

A

L

C

D

S

G

G

A

A

H

P

K

R

P

A

I

I

V

V

H

H

F

F

Y

Y

N

N

S

S

T

T

S

S

E

I

L

L

Q

Q

R

R

V

V

F

F

A

R

K

A

D

N

V

R

A

A

G

E

I

V

K

Q

Q

A

I

I

A

A

T

T

D

D

A

G

A

A

K

R

M

K

I

C

T

V

D

E

M

Q

A

A

K

K

-

Y

A

P

G

G

G

T

G

Q

Y

W

R

R

F

F

E

E

Y

Y

S

S

P

P

E

E

S

S

F

Y

T

T

G

G

T

T

E

E

L

L

E

E

V

Y

A

A

L

K

E

Q

I

V

C

C

N

D

A

A

V

V

T

G

E

E

I

V

V

I

R

A

P

P

T

T

P

P

D

E

N

R

K

P

L

I

I

I

I

F

N

N

L

L

P
|
P

S

A

T
|
T

V

V

E

E

M

M

A

T

T

T

P

P

N

N

I

V

Y

Y

A

A

D

D

Q

S

I

I

E

E

W

W

M

M

C

S

R

R

N

N

L

L

D

A

N

N

R

R

E

E

N

S

L

V

L

I

I

L

S

S

L

L

H
|
H

P

P

H
|
H

N

N

D

D

R

R

G

G

T

T

G

A

I

V

A

A

T

A

E

E

L

L

G

G

L

F

M

A

A

A

G

G

A

A

D

D

R

R

V

I

E

E

G

G

T

C

L

L

F

F

G

G

N

N

G

G

E

E

R

R

T

T

G

G

N

N

V

V

D

C

V

L

V

V

T

T

L

L

A

G

L

L

N

N

M

L

F

F

T

S

Q

R

G

G

V

V

D

D

P

P

K

Q

L

I

D

D

C

F

S

S

D

N

I

I

E

D

R

E

I

I

K

R

E

R

V

T

Y

V

E

E

Y

Y

S

C

N

N

Q

Q

M

L

V

P

I

V

P

H

E

E

R

R

H

H

P

P

Y

Y

V

G

G

G

E

D

L

L

V

V

Y

Y

T

T

A

A

F

F

S

S

G

G

S

S

H

H

Q

Q

D

D

A

A

I

I

N

N

K

K

G

G

M

L

K

D

A

A

L

M

K

K

Q

L

A

D

N

A

K

D

P

A

T

A

-

D

-

C

-

D

-

V

-

D

-

M

-

L

W

W

E

Q

V

V

P

P

Y

Y

L

L

P

P

I

I

D

D

P

P

R

R

D

D

V

V

G

G

R

R

S

T

Y

Y

E

E

A

A

I

V

I

I

R

-

I

-

N

-

S

-

Q

-

S

-

G

-

K

K

G

G

I

V

A

A

Y

Y

I

I

M

M

Q

K

E

T

D

D

Y

H

G

G

I

L

N

S

L

L

P

P

R

R

N

R

L

L

Q

Q

I

I

E

E

F

F

R

S

E

Q

D

V

I

I

Q

Q

R

K

I

I

T

-

D

-

E

-

G

-

K

-

E

E

L

V

P

S

S

P

K

K

R

E

I

M

H

W

Q

D

R

A

F

F

V

A

E

E

R

E

Y

Y

V

L

E

-

Q

A

P

P

G

V

A

R

R

P

I

L

K

E

F

R

V

I

D

R

H

Q

H

H

T

V

Y

D

P

A

V

A

S

D

D

D

H

D

K

G

S

G

L

T

R

T

V

S

V

I

A

T

A

A

E

T

I

V

T

K

D

I

R

N

G

G

E

V

T

E

K

T

R

E

I

I

E

S

G

G

K

S

G

G

T

N

G

G

P

P

I

L

D

A

G

A

F

F

I

V

N

H

A

A

L

L

S

A

I

-

Y

D

L

V

G

G

V

F

E

D

L

V

S

A

V

V

A

L

D

D

Y

Y

S

Y

E

E

H

H

S

A

L

M

Q

S

H

A

G

G

S

D

N

D

A

A

A

Q

A

A

I

A

A

A

Y

Y

V

V

E

E

V

A

E

S

H

V

P

T

-

I

G

S

G

K

T

T

L

V

F

W

G

G

A

V

G

G

I

I

N

A

T

P

N

S

I

I

V

T

A

T

A

A

S

S

L

L

E

R

A

A

I

V

V

V

S

S

A

A

A

V

N

N

R

R

binding 3-methyl-2-oxobutanoic acid: R63 (= R49), P235 (= P220), T237 (= T222), H268 (= H253), H270 (= H255)
binding zinc ion: D64 (= D50), H268 (= H253), H270 (= H255)

3hpsA Crystal structure of mycobacterium tuberculosis leua complexed with ketoisocaproate (kic)
55% identity, 95% coverage: 25:562/569 of query aligns to 39:573/575 of 3hpsA

query
sites
3hpsA

V

I

A

R

L

L

P

R

D

N

R

R

T

T

W

W

P

P

S

D

K

R

S

V

I

I

D

D

K

R

A

A

P

P

I

L

W

W

C

C

S

A

V

V

D

D

L

L

R
|
R

D
|
D

G

G

N

N

Q

Q

S

A

L

L

V

I

D

D

P

P

M

M

G

S

H

P

D

A

R

R

K

K

A

R

R

R

M

M

F

F

H

D

L

L

V

V

D

R

M

M

G

G

F

Y

K

K

E

E

I

I

E

E

I

V

G

G

F

F

P

P

S

S

A

A

S

S

Q

Q

T

T

D

D

F

F

D

D

F

F

A

V

R

R

W

E

C

I

V

I

E

E

E

Q

G

G

D

A

V

I

P

P

A

D

D

D

V

V

S

T

L

I

Q

Q

V

V

L

L

V

T

Q

Q

C

C

R

R

P

P

E

E

L

L

I

I

T

E

R

R

T

T

F

F

E

Q

A

A

L

C

D

S

G

G

A

A

H

P

K

R

P

A

I

I

V

V

H
|
H

F

F

Y
|
Y

N

N

S

S

T

T

S

S

E

I

L

L

Q

Q

R

R

V

V

F

F

A

R

K

A

D

N

V

R

A

A

G

E

I

V

K

Q

Q

A

I

I

A

A

T

T

D

D

A

G

A

A

K

R

M

K

I

C

T

V

D

E

M

Q

A

A

K

K

-

Y

A

P

G

G

G

T

G

Q

Y

W

R

R

F

F

E

E

Y

Y

S

S

P

P

E

E

S

S

F

Y

T

T

G

G

T

T

E

E

L

L

E

E

V

Y

A

A

L

K

E

Q

I

V

C

C

N

D

A

A

V

V

T

G

E

E

I

V

V

I

R

A

P

P

T

T

P

P

D

E

N

R

K

P

L

I

I

I

I

F

N

N

L

L

P
|
P

S

A

T
|
T

V

V

E

E

M

M

A

T

T

T

P

P

N

N

I

V

Y

Y

A

A

D

D

Q

S

I

I

E

E

W

W

M

M

C

S

R

R

N

N

L

L

D

A

N

N

R

R

E

E

N

S

L

V

L

I

I

L

S

S

L

L

H
|
H

P

P

H
|
H

N

N

D

D

R

R

G

G

T

T

G

A

I

V

A

A

T

A

E

E

L

L

G

G

L

F

M

A

A

A

G

G

A

A

D

D

R

R

V

I

E

E

G

G

T

C

L

L

F

F

G

G

N

N

G

G

E

E

R

R

T

T

G

G

N

N

V

V

D

C

V

L

V

V

T

T

L

L

A

G

L

L

N

N

M

L

F

F

T

S

Q

R

G

G

V

V

D

D

P

P

K

Q

L

I

D

D

C

F

S

S

D

N

I

I

E

D

R

E

I

I

K

R

E

R

V

T

Y

V

E

E

Y

Y

S

C

N

N

Q

Q

M

L

V

P

I

V

P

H

E

E

R

R

H

H

P

P

Y

Y

V

G

G

G

E

D

L

L

V

V

Y

Y

T

T

A

A

F

F

S

S

G

G

S

S

H

H

Q

Q

D

D

A

A

I

I

N

N

K

K

G

G

M

L

K

D

A

A

L

M

K

K

Q

L

A

D

N

A

K

D

P

A

T

A

-

D

-

C

-

D

-

V

-

D

-

M

-

L

W

W

E

Q

V

V

P

P

Y

Y

L

L

P

P

I

I

D

D

P

P

R

R

D

D

V

V

G

G

R

R

S

T

Y

Y

E

E

A

A

I

V

I

I

R

-

I

-

N

-

S

-

Q

-

S

-

G

-

K

K

G

G

I

V

A

A

Y

Y

I

I

M

M

Q

K

E

T

D

D

Y

H

G

G

I

L

N

S

L

L

P

P

R

R

N

R

L

L

Q

Q

I

I

E

E

F

F

R

S

E

Q

D

V

I

I

Q

Q

R

K

I

I

T

-

D

-

E

-

G

-

K

-

E

E

L

V

P

S

S

P

K

K

R

E

I

M

H

W

Q

D

R

A

F

F

V

A

E

E

R

E

Y

Y

V

L

E

-

Q

A

P

P

G

V

A

R

R

P

I

L

K

E

F

R

V

I

D

R

H

Q

H

H

T

V

Y

D

P

A

V

A

S

D

D

D

H

D

K

G

S

G

L

T

R

T

V

S

V

I

A

T

A

A

E

T

I

V

T

K

D

I

R

N

G

G

E

V

T

E

K

T

R

E

I

I

E

S

G

G

K

S

G

G

T

N

G
|
G

P
|
P

I
x
L

D
x
A

G

A

F

F

I

V

N

H

A

A

L

L

S

A

I

-

Y

D

L

V

G

G

V

F

E

D

L

V

S

A

V

V

A

L

D

D

Y

Y

S

Y

E

E

H

H

S

A

L

M

Q

S

H

A

G

G

S
x
D

N

D

A
|
A

A
x
Q

A

A

I

A

A

A

Y

Y

V

V

E

E

V

A

E

S

-

V

-

T

-

I

H

A

P

T

G

S

G

K

T

T

L

V

F

W

G

G

A

V

G

G

I

I

N

A

T
x
P

N

S

I
|
I

V

T

A

T

A

A

S

S

L

L

E

R

A

A

I

V

V

V

S

S

A

A

A

V

N

N

R

R

binding 2-oxo-4-methylpentanoic acid: R63 (= R49), H150 (= H136), Y152 (= Y138), P235 (= P220), T237 (= T222), H268 (= H253), H270 (= H255)
binding leucine: G500 (= G491), P501 (= P492), L502 (≠ I493), A503 (≠ D494), D530 (≠ S522), A532 (= A524), Q533 (≠ A525), P557 (≠ T546), I559 (= I548)
binding zinc ion: D64 (= D50), H268 (= H253), H270 (= H255)

4ov9A Structure of isopropylmalate synthase binding with alpha- isopropylmalate (see paper)
27% identity, 63% coverage: 46:403/569 of query aligns to 9:342/380 of 4ov9A

query
sites
4ov9A

V

V

D

T

L

L

R
|
R

D
|
D

G

G

N

N

Q
|
Q

S

A

L

L

V

K

D

R

P

P

M

W

G

T

H

I

D

D

R

E

K

K

A

I

R

E

M

V

F

F

H

D

L

L

V

V

D

E

M

L

G

N

F

V

K

D

E

G

I

I

E

E

I

V

G

G

F

F

P

P

S

S

A

S

S

N

Q

E

T

T

D

E

F

F

D

H

F

T

A

C

R

Q

W

-

C

-

V

V

E

L

E

S

G

K

D

R

V

A

P

P

A

K

D

G

V

K

S

P

L

I

Q

A

V

A

L
|
L

V

S

Q

R

C

A

R

N

P

Q

E

N

L

E

I

I

T

A

R

V

T

T

F

W

E

E

A

A

L

I

D

Q

G

K

A

A

H

D

K

C

P

P

I

R

V

M

H

H

F

I

Y

V

N

Y

S

P

T

V

S

S

E

D

L

F

Q

S

R

I

R

K

V

H

V

V

F

L

A

K

K

-

D

-

V

-

A

I

G

S

I

E

K

K

Q

E

I

V

A

L

T

Q

D

K

A

I

A

R

K

N

M

S

I

I

T

S

D

F

M

A

A

R

A

S

K

I

A

V

G

G

G

P

G

G

Y

I

R

E

F

I

E

Q

Y

F

S

S

P

G

E

E

S

H

F

F

T

-

G

G

T

D

E

A

L

I

E

E

V

N

A

F

L

A

E

F

I

T

C

K

N

E

A

A

V

F

T

L

E

T

I

A

V

I

R

E

P

A

T

G

P

A

D

N

N

-

K

-

L

-

I

I

N

N

L

L

P

P

S

N

T
|
T

V

V

E

E

M

R

A

Y

T

R

P

P

N

M

I

V

Y

F

A

V

D

N

Q

M

I

V

E

K

W

E

M

I

C

K

R

D

N

V

L

V

D

-

N

-

R

K

E

D

N

K

L

A

L

I

I

I

S

S

L

I

H
|
H

P

T

H
|
H

N

N

D

D

R

L

G

G

T

M

G

A

I

T

A

A

A

T

T

S

E

V

L

E

G

S

L

V

M

Y

A

V

G

G

A

A

D

E

R

Q

V

I

E

E

G

V

T

A

L

L

F

N

G

G

N

L

G

G

E

E

R

R

T

A

G

G

N

N

V

T

D

N

V

L

V

Y

T

E

L

T

A

A

L

I

N

A

M

L

F

H

T

Q

Q

N

G

G

V

E

D

N

P

L

K

N

L

I

D

N

C

F

S

Q

D

R

I

I

-

Y

-

P

-

T

-

A

E

K

R

R

I

I

K

S

E

E

V

L

Y

-

E

-

Y

-

S

-

N

T

Q

G

M

I

V

P

I

I

P

G

E

E

R

K

H

T

P

P

Y

I

V

I

G

G

E

E

L

D

V

I

Y

F

T

S

A

H

F

R

S

S

G

G

S

I

H

H

Q

Q

D

-

A

-

I

-

N

-

K

-

G

-

M

-

K

-

A

T

L

L

K

H

Q

Q

A

S

N

K

K

G

P

-

T

-

W

-

E

-

V

-

P

A

Y

Y

L

R

P

T

I

F

D

S

P

P

R

E

D

F

V

V

G

G

R

R

S

M

Y

D

E

K

A

E

I

T

I

I

R

S

I

F

N

T

S

N

Q

Q

S

S

G

G

K

H

G

K

G

A

I

I

A

E

Y

F

I

L

M

L

Q

H

E

Q

active site: Q16 (= Q53)
binding (2S)-2-hydroxy-2-(propan-2-yl)butanedioic acid: R12 (= R49), L73 (= L112), T176 (= T222), H205 (= H253), H207 (= H255)
binding zinc ion: D13 (= D50), H205 (= H253), H207 (= H255)

4ov4A Isopropylmalate synthase binding with ketoisovalerate (see paper)
27% identity, 63% coverage: 46:403/569 of query aligns to 9:340/379 of 4ov4A

query
sites
4ov4A

V

V

D

T

L

L

R
|
R

D
|
D

G

G

N

N

Q
|
Q

S

A

L

L

V

K

D

R

P

P

M

W

G

T

H

I

D

D

R

E

K

K

A

I

R

E

M

V

F

F

H

D

L

L

V

V

D

E

M

L

G

N

F

V

K

D

E

G

I

I

E

E

I

V

G

G

F

F

P

P

S

S

A

S

S

N

Q

E

T

T

D

E

F

F

D

H

F

T

A

C

R

Q

W

-

C

-

V

V

E

L

E

S

G

K

D

R

V

A

P

P

A

K

D

G

V

K

S

P

L

I

Q

A

V

A

L

L

V

S

Q

R

C

A

R

N

P

Q

E

N

L

E

I

I

T

A

R

V

T

T

F

W

E

E

A

A

L

I

D

Q

G

K

A

A

H

D

K

C

P

P

I

R

V

M

H

H

F

I

Y

V

N

Y

S

P

T

V

S

S

E

D

L

F

Q

S

R

I

R

K

V

H

V

V

F

L

A

K

K

-

D

-

V

-

A

I

G

S

I

E

K

K

Q

E

I

V

A

L

T

Q

D

K

A

I

A

R

K

N

M

S

I

I

T

S

D

F

M

A

A

R

A

S

K

I

A

V

G

G

G

P

G

G

Y

I

R

E

F

I

E

Q

Y

F

S

S

P

G

E

E

S

H

F

F

T

-

G

G

T

D

E

A

L

I

E

E

V

N

A

F

L

A

E

F

I

T

C

K

N

E

A

A

V

F

T

L

E

T

I

A

V

I

R

E

P

A

T

G

P

A

D

N

N

-

K

-

L

-

I

I

N

N

L

L

P
|
P

S

N

T
|
T

V

V

E

E

M

R

A

Y

T

R

P

P

N

M

I

V

Y

F

A

V

D

N

Q

M

I

V

E

K

W

E

M

I

C

K

R

D

N

V

L

V

D

-

N

-

R

K

E

D

N

K

L

A

L

I

I

I

S

S

L

I

H
|
H

P

T

H
|
H

N

N

D

D

R

L

G

G

T

M

G

A

I

T

A

A

A

T

T

S

E

V

L

E

G

S

L

V

M

Y

A

V

G

G

A

A

D

E

R

Q

V

I

E

E

G

V

T

A

L

L

F

N

G

G

N

L

G

G

E

E

R

R

T

A

G

G

N

N

V

T

D

N

V

L

V

Y

T

E

L

T

A

A

L

I

N

A

M

L

F

H

T

Q

Q

N

G

G

V

E

D

N

P

L

K

N

L

I

D

N

C

F

S

Q

D

R

I

I

-

Y

-

P

-

T

-

A

E

K

R

R

I

I

K

S

E

E

V

L

Y

-

E

-

Y

-

S

-

N

T

Q

G

M

I

V

P

I

I

P

G

E

E

R

K

H

T

P

P

Y

I

V

I

G

G

E

E

L

D

V

I

Y

F

T

S

A

H

F

R

S

S

G

G

S

I

H

H

Q

Q

D

H

A

Q

I

-

N

S

K

K

G

G

M

-

K

-

A

-

L

-

K

-

Q

-

A

-

N

-

K

-

P

-

T

-

W

-

E

-

V

-

P

A

Y

Y

L

R

P

T

I

F

D

S

P

P

R

E

D

F

V

V

G

G

R

R

S

M

Y

D

E

K

A

E

I

T

I

I

R

S

I

F

N

T

S

N

Q

Q

S

S

G

G

K

H

G

K

G

A

I

I

A

E

Y

F

I

L

M

L

Q

H

E

Q

active site: Q16 (= Q53)
binding 3-methyl-2-oxobutanoic acid: R12 (= R49), P174 (= P220), T176 (= T222), H205 (= H253), H207 (= H255)
binding zinc ion: D13 (= D50), H205 (= H253), H207 (= H255)

Q9FN52 Methylthioalkylmalate synthase 3, chloroplastic; 2-isopropylmalate synthase 2; Methylthioalkylmalate synthase-like; EC 2.3.3.17 from Arabidopsis thaliana (Mouse-ear cress) (see paper)
26% identity, 71% coverage: 48:449/569 of query aligns to 92:497/503 of Q9FN52

query
sites
Q9FN52

L

L

R

R

D

D

G

G

N

E

Q

Q

S

S

-

P

-

G

-

A

L

L

V

T

D

P

P

P

M

Q

G

K

H

L

D

E

R

I

K

A

A

R

R

Q

M

L

F

A

H

K

L

L

L

R

V

V

D

D

M

I

G

-

F

-

K

-

E

-

I

M

E

E

I

V

G

G

F

F

P

P

S

V

A

S

S

S

Q

E

T

E

D

E

F

F

D

E

F

A

A

I

R

K

W

T

C

I

V

A

-

K

-

T

-

V

-

G

-

N

-

E

-

V

-

D

-

E

E

E

E

T

G

G

D

Y

V

V

P

P

A

V

D

-

V

-

S

-

L

I

Q

C

V

G

L

I

V

A

Q

R

C

C

R

K

P

K

E

R

L

D

I

I

T

E

R

A

T

T

F

W

E

E

A

A

L

L

D

K

G

Y

A

A

H

K

K

R

P

P

I

R

V

V

H

M

F

L

Y

F

N

T

S

S

T

T

S

S

E

E

L

I

Q

H

R

M

R

K

V

Y

V

K

F

L

A

K

K

K

D

T

V

K

A

E

G

E

I

V

K

I

Q

E

I

M

A

A

T

V

D

N

A

S

A

V

K

K

M

Y

I

-

T

-

D

-

M

-

A

-

A

A

K

K

A

S

G

L

G

G

G

F

Y

K

R

D

F

I

E

Q

Y

F

S

G

P

C

E

E

S

D

F

G

T

G

G

R

T

T

E

E

L

K

E

D

V

F

A

-

L

-

E

-

I

I

C

C

N

K

A

I

V

L

T

G

E

E

I

S

V

I

R

K

P

A

T

-

P

-

D

-

N

G

K

A

L

T

I

T

I

V

N

G

L

F

P

A

S

D

T

T

V

V

E
x
G

M

I

A

N

T

M

P

P

N

Q

I

E

Y

F

A

G

D

E

Q

L

I

V

E

A

W

Y

M

V

C

I

R

E

N

N

L

T

D

P

N

G

R

A

E

D

N

D

L

I

L

V

I

F

S

A

L

I

H

H

P

C

H

H

N

N

D

D

R

L

G

G

T

V

G

A

I

T

A

A

A

N

T

T

E

I

L

S

G

G

L

I

M

C

A

A

G

G

A

A

D

R

R

Q

V

V

E

E

G

V

T

T

L

I

F

N

G

G

N

I

G

G

E

E

R

R

T

S

G

G

N

N

-

A

-

P

V

L

D

E

V

E

V

V

T

V

L

M

A

A

L

L

N

K

M

C

-

R

-

G

-

E

-

S

F

L

T

M

Q

D

G

G

V

V

D

Y

P

T

K

K

L

I

D

D

C

S

S

R

D

Q

I

I

E

M

R

A

I

T

K

S

E

K

V

M

Y

V

E

Q

Y

E

S

H

N

T

Q

G

M

M

V

Y

I

V

P

Q

E

P

R

H

H

K

P

P

Y

I

V

V

G

G

E

D

L

N

V

C

Y

F

T

V

A

H

F

E

S

S

G

G

S

I

H

H

Q

Q

D

D

A

G

I

I

N

L

K

K

G

-

M

-

K

-

A

-

L

-

K

-

Q

-

A

-

N

N

K

R

P

S

T

T

W

Y

E

E

V

I

P

-

Y

-

L

-

P

-

I

L

D

S

P

P

R

E

D

D

V

V

G

G

-

I

-

V

R

K

S

S

Y

E

E

N

A

S

I

G

I

I

R

V

I

L

N

G

S

K

Q

L

S

S

G

G

K

R

G

H

G

A

I

V

A

K

Y

D

I

R

M

L

Q

K

E

E

-

L

-

G

-

Y

-

E

-

I

-

S

D

D

Y

E

G

K

I

F

N

N

L

D

P

I

R

F

N

S

L

R

Q

Y

I

R

E

E

F

L

R

T

E

K

D

D

I

K

Q

K

R

R

I

I

T

T

D

D

E

A

E

D

-

L

-

K

-

A

-

L

-

V

-

N

G

G

K

A

E

E

L

I

P

S

S

S

K

E

R

K

I

L

H

N

Q

S

R

K

F

G

V

I

E

N

R

D

Y

L

V

M

E

S

Q

S

P

P

G263 (≠ E224) mutation to E: In gsm2-1; loss of activity and lack of C6, C7 and C8 aliphatic glucosinolates.

Q9FG67 Methylthioalkylmalate synthase 1, chloroplastic; 2-isopropylmalate synthase 3; EC 2.3.3.17 from Arabidopsis thaliana (Mouse-ear cress) (see paper)
24% identity, 70% coverage: 32:432/569 of query aligns to 71:473/506 of Q9FG67

query
sites
Q9FG67

W

W

P

P

S

E

K

Y

S

I

I

P

D

N

K

K

A

L

P

P

I

D

W

G

C

N

S

Y

V

V

-

R

-

V

-

F

-

D

-

T

D

T

L

L

R

R

D

D

G

G

N

E

Q

Q

S

S

L

P

V

G

D

G

P
x
S

M

L

G

T

H

P

D

P

R

Q

K

K

A

L

R

E

M

I

F

A

H

R

L

Q

L

L

V

A

D

K

M

L

G

R

F

V

K

D

E

I

I

M

E

E

I

V

G

G

F

F

P

P

S

G

A

S

S

S

Q

E

T

E

D

E

F

L

D

E

F

T

A

I

R

K

W

T

C

I

V

A

-

K

-

T

-

V

-

G

-

N

-

E

-

V

-

D

-

E

E

E

E

T

G

G

D

Y

V

V

P

P

A

V

D

-

V

-

S

-

L

I

Q

C

V

A

L

I

V

A

Q

R

C

C

R

K

P

H

E

R

L

D

I

I

T

E

R

A

T

T

F

W

E

E

A

A

L

L

D

K

G

Y

A

A

H

K

K

R

P

P

I

R

V

I

H

L

F

V

Y

F

N

T

S

S

T

T

S

S

E

D

L

I

Q

H

R

M

R

K

V

Y

V

K

F

L

A

K

K

K

D

T

V

Q

A

E

G

E

I

V

K

I

Q

E

I

M

A

A

T

V

D

S

A

S

A

I

K

R

M

F

I

-

T

-

D

-

M

-

A

-

A

A

K

K

A

S

G

L

G

G

G

F

Y

N

R

D

F

I

E

Q

Y

F

S

G

P

C

E

E

S

D

F

G

T

G

G

R

T

S

E

D

L

K

E

D

V

F

A

-

L

-

E

-

I

L

C

C

N

K

A

I

V

L

T

G

E

E

I

A

V

I

R

K

P

A

T

-

P

-

D

-

N

G

K

V

L

T

I

V

N

T

L

I

P

G

S

D

T

T

V

V

E

G

M

I

A

N

T

M

P

P

N

H

I

E

Y

Y

A

G

D

E

Q

L

I

V

E

T

W

Y

M

L

C

K

R

A

N

N

L

T

D

P

N

G

R

I

E

D

N

D

L

V

I

V

S
x
A

L

V

H

H

P

C

H

H

N

N

D

D

R

L

G

G

T

L

G

A

I

T

A

A

A

N

T

S

E

I

L

A

G

G

L

I

M

R

A

A

G

G

A

A

D

R

R

Q

V

V

E

E

G

V

T

T

L

I

F

N

G

G

N

I

G

G

E

E

R

R

T

S

G

G

N

N

V

A

D

S

V

L

-

E

V

V

T

V

L

M

A

A

L

L

N

K

M

C

-

R

-

G

-

A

-

Y

F

V

T

I

Q

N

G

G

V

V

D

Y

P

T

K

K

L

I

D

D

C

T

S

R

D

Q

I

I

E

M

R

A

I

T

K

S

E

K

V

M

Y

V

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Q

Y

E

S

Y

N

T

Q

G

M

L

V

Y

I

V

P

Q

E

A

R

H

H

K

P

P

Y

I

V

V

G

G

E

A

L

N

V

C

Y

F

T

V

A

H

F

E

S

S

G

G

S

I

H

H

Q

Q

D

D

A

G

I

I

N

L

K

K

G

-

M

-

K

-

A

-

L

-

K

-

Q

-

A

-

N

N

K

R

P

S

T

T

W

Y

E

E

V

I

P

-

Y

-

L

-

P

-

I

L

D

S

P

P

R

E

D

D

V

I

G

G

-

I

-

V

R

K

S

S

Y

Q

E

N

A

S

I

G

I

L

R

V

I

L

N

G

S

K

Q

L

S

S

G

G

K

R

G

H

G

A

I

V

A

K

Y

D

I

R

M

L

Q

K

E

E

-

L

-

G

-

Y

-

E

-

L

-

D

D

D

Y

E

G

K

I

L

N

N

L

A

P

V

R

F

N

S

L

L

Q

F

I

R

E

D

F

L

R

T

E

K

D

N

I

K

Q

K

R

R

I

I

T

T

D

D

E

A

E

D

G

L

K

K

E

A

L

L

S102 (≠ P58) mutation to F: In gsm1-1; loss of conversion of C3 to C4 glucosinolates.
A290 (≠ S251) mutation to T: In gsm1-2; loss of conversion of C3 to C4 glucosinolates.

Q9JZG1 2-isopropylmalate synthase; Alpha-IPM synthase; Alpha-isopropylmalate synthase; EC 2.3.3.13 from Neisseria meningitidis serogroup B (strain MC58) (see 2 papers)
24% identity, 91% coverage: 48:563/569 of query aligns to 14:502/517 of Q9JZG1

query
sites
Q9JZG1

L

L

R

R

D
|
D

G

G

N

E

Q

Q

S

S

L

P

V

G

D

A

P

A

M

M

G

T

H

K

D

E

R

E

K

K

A

I

R

R

M

V

F

A

H

R

L

Q

L

L

V

E

D

K

M

L

G

G

F

V

K

D

E

I

I

I

E

E

I

A

G

G

F

F

P

A

S

A

A

A

S

S

Q

P

T

G

D

D

F

F

D

E

F

A

A

V

R

N

W

A

C

I

V

A

E

K

E

T

G

I

D

T

V

K

P

S

A

T

D

V

V

C

S

S

L

L

Q

S

V

R

L

A

V

I

Q

E

C

-

R

-

P

-

E

R

L

D

I

I

T

R

R

Q

T

A

F

G

E

E

A

A

L

V

D

A

G

P

A

A

H

P

K

K

P

K

I

R

V

I

H

H

F

T

Y

F

N

I

S

A

T

T

S

S

E

P

L

I

Q

H

R

M

R

E

V

Y

V

K

F

L

A

K

K

M

D

K

V

P

A

K

G

Q

I

V

K

I

Q

E

I

A

A

A

T

V

D

K

A

A

A

V

K

K

M

I

I

A

T

R

D

E

M

Y

A

T

A

D

K

D

A

-

G

-

Y

-

R

-

F

V

E

E

Y

F

S

S

P

C

E

E

S

D

F

A

T

L

G

R

T

S

E

E

L

I

E

D

V

F

A

L

L

A

E

E

I

I

C

C

N

G

A

A

V

V

T

I

E

E

I

A

V

G

R

A

P

T

T

T

P

-

D

-

N

-

K

-

L

-

I

-

I

I

N

N

L

I

P

P

S

D

T

T

V

V

E

G

M

Y

A

S

T

I

P

P

N

Y

I

K

Y

T

A

E

D

E

Q

F

I

F

E

R

W

E

M

L

C

I

R

A

N

K

L

T

D

P

N

N

R

G

E

G

N

K

L

V

I

W

S

S

L

A

H
|
H

P

C

H
|
H

N

N

D

D

R

L

G

G

T

L

G

A

I

V

A

A

A

N

T

S

E

L

L

A

G

A

L

L

M

K

A

G

G

G

A

A

D

R

R

Q

V

V

E

E

G

C

T

T

L

V

F

N

G

G

N

L

G

G

E

E

R

R

T

A

G

G

N
|
N

V

A

D

S

V

V

-

E

V

I

T

V

L

M

A

A

L

L

-

K

-

V

-

R

-

H

N

D

M

L

F

F

T

-

Q

-

G

G

V

L

D

E

P

T

K

G

L

I

D

D

C

T

S

T

D

Q

I

I

E

V

R

P

I

S

K

S

E

K

V

L

Y

V

E

S

Y

T

S

I

N

T

Q

G

M

Y

V

P

I

V

P

Q

E

P

R

N

H

K

P

A

Y

I

V

V

G

G

E

A

L

N

V

A

Y

F

T

S

A

H

F

E

S

S

G

G

S

I

H

H

Q

Q

D

D

A

G

I

V

N

L

K

K

G

H

M

R

K

E

A

T

-

Y

-

E

L

I

K

M

Q

S

A

A

N

E

K

S

P

V

T

G

W

W

E

A

V

T

P

N

Y

R

L

L

P

S

I

L

D

G

P

K

-

L

-

S

-

G

R

R

D

N

V

A

G

F

R

K

S

T

Y

K

E

L

A

A

I

D

I

L

R

G

I

I

N

E

S

L

Q

E

S

S

G

E

K

E

G

A

G

L

I

N

A

A

Y

A

I

F

M

A

Q

R

E

F

D

K

Y

E

G
x
L

I
x
A

N
x
D

L
x
K

P
x
K

R
|
R

N
x
E

L
x
I

Q

-

I

-

E

-

F
|
F

R
x
D

E
|
E

D
|
D

I
x
L

Q
x
H

R
x
A

I
x
L

T
x
V

D
x
S

E
x
D

E
|
E

G
x
M

K
x
G

E
x
S

L
x
M

P
x
N

S
x
A

-
x
E

-
x
S

-
x
Y

K
|
K

R
x
F

I
|
I

H
x
S

Q
|
Q

R
x
K

F
x
I

V
x
S

E
x
T

R
x
E

Y
x
T

V
x
G

E
|
E

Q
x
E

P
|
P

G
x
R

A
|
A

R
x
D

I
|
I

K
x
V

F
|
F

V

-

D

-

H

-

T

-

Y

-

P

-

V

-

S

-

D

-

H

-

K

-

S

-

L

-

R

-

V

-

A

-

E

-

I

-

T
x
S

D
x
I

R
x
K

G
|
G

E
|
E

T
x
E

K
|
K

R
|
R

I
x
A

E
x
S

G
x
A

K
x
T

G
|
G

T
x
S

G
|
G

P
|
P

I
x
V

D
|
D

G
x
A

F
x
I

I
x
F

N
x
K

A
|
A

L
x
I

S
x
E

I
x
S

Y
x
V

L
x
A

G
x
Q

V
x
S

E
x
G

L
x
A

S
x
A

V
x
L

A
x
Q

D
x
I

Y
|
Y

S
|
S

E
x
V

H
x
N

S
x
A

L
x
V

Q
x
T

H
x
Q

G
|
G

S
x
T

N
x
E

A
x
S

A
x
Q

A
x
G

I
x
E

A
x
T

Y
x
S

V
|
V

E
x
R

V
x
L

E
x
A

H
x
R

P
x
G

G
x
N

G
x
R

T
x
V

L
x
V

F
x
N

G
|
G

A
x
Q

G
|
G

I
x
A

N
x
D

T
|
T

N
x
D

I
x
V

V
x
L

A
x
V

A
|
A

S
x
T

L
x
A

E
x
K

A
|
A

I
x
Y

V
x
L

S
|
S

A
|
A

A
x
L

N
x
S

R
x
K

V
x
L

D16 (= D50) binding Mn(2+)
H204 (= H253) binding Mn(2+)
H206 (= H255) binding Mn(2+)
N240 (= N289) binding Mn(2+)

Sites not aligning to the query:

366:517 Required for the condensation reaction. Not required to bind substrate

6e1jA Crystal structure of methylthioalkylmalate synthase (bjumam1.1) from brassica juncea (see paper)
26% identity, 68% coverage: 48:432/569 of query aligns to 25:406/409 of 6e1jA

query
sites
6e1jA

L

L

R

R

D
|
D

G

G

N

E

Q
|
Q

S

S

L

P

V

G

D

A

P

A

M

L

G

T

H

P

D

P

R

Q

K

K

A

I

R

E

M

I

F

A

H

R

L

Q

L

L

V

A

D

K

M

L

G

R

F

V

K

D

E

I

I

M

E

E

I

V

G

G

F
|
F

P

P

S

V

A
x
S

S

S

Q

E

T

E

D

E

F

F

D

E

F

T

A

I

R

Q

W

T

C

I

V

A

-

K

-

T

-

V

-

G

-

N

-

E

-
x
V

-

D

-
x
E

E

E

E

T

G

G

D

Y

V

I

P

P

A

V

D

-

V

-

S

-

L

I

Q

C

V

V

L
x
I

V

A

Q
x
R

C

S

R

K

P

E

E

R

L

D

I

I

T

K

R

A

T

A

F

W

E

E

A

S

L

V

D

K

G

Y

A

A

H

K

K

R

P

P

I

R

V

I

H

V

F

I

Y
x
F

N

T

S

S

T

T

S

S

E

D

L

I

Q

H

R

L

R

K

V

Y

V

-

F

-

A

-

K

-

D

-

V

-

A

-

G
x
K

I
x
L

K

K

Q

M

I

T

A

R

T

E

D

E

A

V

K

D

M

M

I

V

T

A

D

S

M

S

A

I

-

R

-

F

A

A

K

K

A

S

G

L

G

G

G

F

Y

E

R

D

F

I

E

E

Y

F

S

G

P

C

E

E

S

D

F

G

T

G

G

R

T

S

E

D

L

K

E

D

V

Y

A

-

L

-

E

-

I

I

C

C

N

T

A

V

V

F

T

E

E

E

I

A

V

I

R

K

P

A

T

-

P

-

D

-

N

G

K

A

L

T

I

T

I

L

N

A

L

C

P
|
P

S

D

T
|
T

V

V

E

G

M

I

A

N

T

M

P

P

N

H

I

E

Y

Y

A

G

D

K

Q

L

I

V

E

R

W

Y

M

I

C

K

R

A

N

N

L

T

D

P

N

G

R

I

E

D

N

D

L

V

L

I

I

F

S

S

L

A

H
|
H

P

C

H
|
H

N

N

D

D

R

L

G

G

T

V

G

A

I

T

A

A

A

N

T

T

E

I

L

A

G

G

L

I

M

C

A

A

G

G

A

A

D

R

R

Q

V

V

E

E

G

V

T

T

L

I

F

N

G

G

N

I

G

G

E

E

R

R

T

S

G

G

N

N

-

A

-

P

V

L

D

E

V

E

V

V

T

V

L

M

A

A

L

L

N

K

-

C

-

R

-

G

-

A

M

F

F

V

T

M

Q

G

G

G

V

V

D

Y

P

T

K

R

L

I

D

D

C

T

S

R

D

Q

I

I

E

M

R

A

I

T

-

S

K

K

E

M

V

V

Y

Q

E

E

Y

Y

S

T

N

G

Q

L

M

Y

V

V

I

Q

P

P

E

H

R

K

H

-

P

P

Y

I

V

V

G

G

E

A

L

N

V

C

Y

F

T

V

A

H

F

E

S
|
S

G
|
G

S
x
I

H

H

Q

Q

D
|
D

A

G

I

I

N

L

K
|
K

G

-

M

-

K

-

A

-

L

-

K

-

Q

-

A

-

N

N

K

R

P

S

T

T

W

Y

E

E

V

I

P

-

Y

-

L

-

P

-

I

I

D

S

P

P

R

E

D

D

V

V

G

G

-

V

R

K

S

S

Y

Q

E

N

A

S

I

G

I

I

R

V

I

L

N

G

S

K

Q
x
L

S

S

G

G

K
x
R

G
x
H

G

A

I

V

A

K

Y

G

I

R

M

L

Q

K

E

E

-

L

-

G

-

Y

-

E

-

I

-

S

D

D

Y

E

G

K

I

L

N

N

L

E

P

V

R

F

N

S

L

R

Q

F

I

R

E

D

F

L

R

T

E

K

D

Q

I

K

Q

K

R

R

I

V

T

T

D

D

E

D

G

L

K

K

E

A

L

L

binding coenzyme a: Q30 (= Q53), F60 (= F83), S63 (≠ A86), I95 (≠ L112), R97 (≠ Q114), F121 (≠ Y138), K132 (≠ G156), L133 (≠ I157), S322 (= S344), G323 (= G345), I324 (≠ S346), D327 (= D349), K331 (= K353), L359 (≠ Q391), R362 (≠ K394), H363 (≠ G395)
binding 4-(methylsulfanyl)-2-oxobutanoic acid: P192 (= P220), T194 (= T222), H225 (= H253), H227 (= H255)
binding manganese (ii) ion: D27 (= D50), V82 (vs. gap), E84 (vs. gap), H225 (= H253), H227 (= H255)

3rmjB Crystal structure of truncated alpha-isopropylmalate synthase from neisseria meningitidis (see paper)
28% identity, 47% coverage: 48:313/569 of query aligns to 11:265/308 of 3rmjB

query
sites
3rmjB

L

L

R

R

D
|
D

G

G

N

E

Q
|
Q

S

S

L

P

V

G

D

A

P

A

M

M

G

T

H

K

D

E

R

E

K

K

A

I

R

R

M

V

F

A

H

R

L

Q

L

L

V

E

D

K

M

L

G

G

F

V

K

D

E

I

I

I

E

E

I

A

G

G

F

F

P

A

S

A

A

A

S

S

Q

P

T

G

D

D

F

F

D

E

F

A

A

V

R

N

W

A

C

I

V

A

E

K

E

T

G

I

D

T

V

K

P

S

A

T

D

V

V

C

S

S

L

L

Q

S

V

R

L

A

V

I

Q

E

C

-

R

-

P

-

E

R

L

D

I

I

T

R

R

Q

T

A

F

G

E

E

A

A

L

V

D

A

G

P

A

A

H

P

K

K

P

K

I

R

V

I

H

H

F

T

Y

F

N

I

S

A

T

T

S

S

E

P

L

I

Q

H

R

M

R

E

V

Y

V

K

F

L

A

K

K

M

D

K

V

P

A

K

G

Q

I

V

K

I

Q

E

I

A

A

A

T

V

D

K

A

A

A

V

K

K

M

I

I

A

T

R

D

E

M

Y

A

T

A

D

K

D

A

-

G

-

Y

-

R

-

F

V

E

E

Y

F

S

S

P

C

E

E

S

D

F

A

T

L

G

R

T

S

E

E

L

I

E

D

V

F

A

L

L

A

E

E

I

I

C

C

N

G

A

A

V

V

T

I

E

E

I

A

V

G

R

A

P

T

T

T

P

-

D

-

N

-

K

-

L

-

I

-

I

I

N

N

L

I

P

P

S

D

T

T

V

V

E

G

M

Y

A

S

T

I

P

P

N

Y

I

K

Y

T

A

E

D

E

Q

F

I

F

E

R

W

E

M

L

C

I

R

A

N

K

L

T

D

P

N

N

R

G

E

G

N

K

L

V

I

W

S

S

L

A

H
|
H

P

C

H
|
H

N

N

D

D

R

L

G

G

T

L

G

A

I

V

A

A

A

N

T

S

E

L

L

A

G

A

L

L

M

K

A

G

G

G

A

A

D

R

R

Q

V

V

E

E

G

C

T

T

L

V

F

N

G

G

N

L

G

G

E

E

R

R

T

A

G

G

N
|
N

V

A

D

S

V

V

-

E

V

I

T

V

L

M

A

A

L

L

-

K

-

V

-

R

-

H

N

D

M

L

F

F

T

-

Q

-

G

G

V

L

D

E

P

T

K

G

L

I

D

D

C

T

S

T

D

Q

I

I

active site: Q16 (= Q53)
binding manganese (ii) ion: D13 (= D50), H201 (= H253), H203 (= H255), N237 (= N289)

3ivtB Homocitrate synthase lys4 bound to 2-og (see paper)
25% identity, 59% coverage: 48:381/569 of query aligns to 37:338/400 of 3ivtB

query
sites
3ivtB

L

L

R
|
R

D
x
E

G

G

N

E

Q
|
Q

S

F

L

A

V

N

D

A

P

F

M

F

G

D

H

T

D

E

R

K

K

K

A

I

R

Q

M

I

F

A

H

K

L

A

L

L

V

D

D

N

M

F

G

G

F

V

K

D

E

Y

I

I

E

E

I

L

G

T

F

S

P

P

S

V

A

A

S

S

-

E

Q

Q

T

S

D

R

F

Q

D

D

F

C

A

E

R

A

W

I

C

C

V

-

E

-

G

-

D

K

V

L

P

G

A

L

D

K

V

C

S

K

L

I

Q

L

V

T

L
x
H

V

I

Q

R

C

C

R

H

P

M

E

D

L

D

I

A

T

R

R

V

T

A

F

V

E

E

-

T

A

G

L

V

D

D

G

G

A

V

H

D

K

V

P

V

I

I

V

-

H

-

F

-

Y

-

N

-

S

G

T

T

S

S

E

Q

L

Y

Q

L

R

R

R

K

V

Y

V

S

F

H

A

G

K

K

D

D

V

M

A

T

G

Y

I

I

K

-

Q

-

I

-

A

-

T

I

D

D

A

S

A

A

K

T

M

E

I

V

T

I

D

N

M

F

A

V

A

K

K

S

A

K

G

G

G

I

G

E

Y

V

R
|
R

F

F

E
x
S

Y

-

S

S

P

E

E

D

S

S

F

F

T

R

G

-

T

S

E

D

L

L

E

V

V

D

A

L

L

L

E

S

I

L

C

Y

N

K

A

A

V

V

T

D

E

K

I

I

V

-

R

-

P

-

T

-

P

G

D

V

N

N

K

R

L

-

I

-

I

V

N

G

L

I

P

A

S

D

T
|
T

V

V

E

G

M

C

A

A

T

T

P

P

N

R

I

-

Y

-

A

-

D

-

Q

Q

I

V

E

Y

W

D

M

L

C

I

R

R

N

T

L

L

D

R

N

G

R

V

E

V

N

S

L

C

L

D

I

I

S

E

L

C

H
|
H

P

F

H
|
H

N

N

D

D

R

T

G

G

T

M

G

A

I

I

A

A

A

N

T

A

E

Y

L

C

G

A

L

L

M

E

A

A

G

G

A

A

D

T

R

H

V

I

E

D

G

T

T

S

L

I

F

L

G

G

N

I

G

G

E

E

R

R

T

N

G

G

N

I

V

T

D

P

V

L

V

G

T

A

L

L

A

L

L

A

N

R

M

M

F

Y

T

V

-

T

-

D

-

R

Q

E

G

Y

V

I

D

T

P

H

K

K

L

Y

D

K

C

L

S

N

D

Q

I

L

E

R

R

E

I

L

K

E

E

N

V

L

Y

V

E

A

Y

D

S

A

N

V

Q

E

M

V

V

Q

I

I

P

P

E

F

R

N

H

N

P

Y

Y

I

V

T

G

G

E

M

L

C

V

A

Y

F

T

T

A

H

F

K

S

A

G

G

S

I

H

H

Q

A

D

K

A

A

I

I

N

-

K

-

G

-

M

-

K

-

A

-

L

-

K

-

Q

L

A

A

N

N

K

P

P

S

T

T

W

Y

E

E

V

I

P

-

Y

-

L

-

P

-

I

L

D

K

P

P

R

E

D

D

V

F

G

G

R

M

S

S

active site: Q42 (= Q53)
binding 2-oxoglutaric acid: R38 (= R49), H98 (≠ L112), R158 (= R180), S160 (≠ E182), T192 (= T222), H219 (= H253), H221 (= H255)
binding zinc ion: E39 (≠ D50), H219 (= H253), H221 (= H255)

Q9Y823 Homocitrate synthase, mitochondrial; HCS; EC 2.3.3.14 from Schizosaccharomyces pombe (strain 972 / ATCC 24843) (Fission yeast) (see 2 papers)
25% identity, 59% coverage: 48:381/569 of query aligns to 42:343/418 of Q9Y823

query
sites
Q9Y823

L

L

R
|
R

D
x
E

G

G

N

E

Q
|
Q

S

F

L

A

V

N

D

A

P

F

M

F

G

D

H

T

D

E

R

K

K

K

A

I

R

Q

M

I

F

A

H

K

L

A

L

L

V

D

D

N

M

F

G

G

F

V

K

D

E

Y

I

I

E
|
E

I

L

G

T

F

S

P

P

S

V

A

A

S

S

-

E

Q

Q

T

S

D

R

F

Q

D

D

F

C

A

E

R

A

W

I

C

C

V

-

E

-

G

-

D

K

V

L

P

G

A

L

D

K

V

C

S

K

L

I

Q

L

V

T

L
x
H

V

I

Q

R

C

C

R

H

P

M

E

D

L

D

I

A

T

R

R

V

T

A

F

V

E

E

-

T

A

G

L

V

D

D

G

G

A

V

H
x
D

K

V

P

V

I

I

V

-

H

-

F

-

Y

-

N

-

S

G

T

T

S

S

E

Q

L

Y

Q

L

R

R

R

K

V

Y

V

S

F

H

A

G

K

K

D

D

V

M

A

T

G

Y

I

I

K

-

Q

-

I

-

A

-

T

I

D

D

A

S

A

A

K

T

M

E

I

V

T

I

D

N

M

F

A

V

A

K

K

S

A

K

G

G

G

I

G

E

Y

V

R
|
R

F

F

E
x
S

Y

-

S

S

P
x
E

E

D

S

S

F

F

T

R

G

-

T

S

E

D

L

L

E

V

V

D

A

L

L

L

E

S

I

L

C

Y

N

K

A

A

V

V

T

D

E

K

I

I

V

-

R

-

P

-

T

-

P

G

D

V

N

N

K

R

L

-

I

-

I

V

N

G

L

I

P

A

S

D

T
|
T

V

V

E

G

M

C

A

A

T

T

P

P

N

R

I

-

Y

-

A

-

D

-

Q

Q

I

V

E

Y

W

D

M

L

C

I

R

R

N

T

L

L

D

R

N

G

R

V

E

V

N

S

L

C

L

D

I

I

S
x
E

L

C

H
|
H

P

F

H
|
H

N

N

D

D

R

T

G

G

T

M

G

A

I

I

A

A

A

N

T

A

E

Y

L

C

G

A

L

L

M

E

A

A

G

G

A

A

D

T

R

H

V

I

E

D

G

T

T

S

L

I

F

L

G

G

N

I

G

G

E

E

R

R

T

N

G

G

N

I

V

T

D

P

V

L

V

G

T

A

L

L

A

L

L

A

N

R

M

M

F

Y

T

V

-

T

-

D

-

R

Q

E

G

Y

V

I

D

T

P

H

K

K

L

Y

D

K

C

L

S

N

D

Q

I

L

E
x
R

R

E

I

L

K

E

E

N

V

L

Y

V

E

A

Y

D

S

A

N

V

Q

E

M

V

V

Q

I

I

P

P

E

F

R

N

H

N

P

Y

Y

I

V

T

G

G

E

M

L

C

V

A

Y

F

T

T

A

H

F

K

S

A

G

G

S

I

H

H

Q

A

D

K

A

A

I

I

N

-

K

-

G

-

M

-

K

-

A

-

L

-

K

-

Q

L

A

A

N

N

K

P

P

S

T

T

W
x
Y

E

E

V

I

P

-

Y

-

L

-

P

-

I

L

D

K

P

P

R

E

D

D

V

F

G

G

R

M

S

S

R43 (= R49) binding 2-oxoglutarate; mutation R->A,K,Q: Abolishes the catalytic activity.
E44 (≠ D50) binding 2-oxoglutarate; binding L-lysine; binding Zn(2+)
Q47 (= Q53) mutation to A: Abolishes the catalytic activity.
E74 (= E80) mutation to A: Abolishes the catalytic activity.; mutation to Q: Results in a moderate decrease in the turnover number and a slight increase in the Km value for each substrate.
H103 (≠ L112) binding 2-oxoglutarate; mutation to A: Substantially impairs catalytic efficiency.
D123 (≠ H131) binding L-lysine; mutation to N: Does not affect the catalytic activity but impairs L-lysine inhibition.
R163 (= R180) binding 2-oxoglutarate; mutation R->A,Q: Abolishes the catalytic activity.; mutation to K: Severely diminishes affinity for 2-oxoglutarate and substantially impairs catalytic efficiency.
S165 (≠ E182) binding 2-oxoglutarate; mutation to A: Results in a moderate decrease in catalytic efficiency.
E167 (≠ P185) mutation E->A,Q: Abolishes the catalytic activity.
T197 (= T222) binding 2-oxoglutarate; binding L-lysine; mutation to A: Exhibits a 25-fold decrease in catalytic efficiency.; mutation to S: Results in a modest decrease in catalytic efficiency.; mutation to V: Abolishes the catalytic activity.
E222 (≠ S251) mutation to Q: Does not affect the catalytic activity but impairs L-lysine inhibition.
H224 (= H253) binding 2-oxoglutarate; binding Zn(2+)
H226 (= H255) binding 2-oxoglutarate; binding Zn(2+)
R288 (≠ E314) mutation to K: Does not affect the catalytic activity but impairs L-lysine inhibition.
Y332 (≠ W366) mutation to A: Abolishes the catalytic activity.; mutation to F: Results in a decrease in catalytic efficiency.

Sites not aligning to the query:

364 Q→R: Does not affect the catalytic activity but impairs L-lysine inhibition.

O87198 Homocitrate synthase; HCS; EC 2.3.3.14 from Thermus thermophilus (strain ATCC BAA-163 / DSM 7039 / HB27) (see paper)
25% identity, 54% coverage: 43:351/569 of query aligns to 4:296/376 of O87198

query
sites
O87198

W

W

C

K

S

I

V

I

D

D

-

S

-

T

L

L

R
|
R

D
x
E

G

G

N

E

Q

Q

S

F

L

E

V

K

D

A

P

N

M

F

G

S

H

T

D

Q

R

D

K

K

A

V

R

E

M

I

F

A

H

K

L

A

L

L

V

D

D

E

M

F

G

G

F

I

K

E

E

Y

I

I

E

E

I

V

G

T

F

T

P

P

S

V

A

A

S

S

Q

P

T

Q

D

-

F

-

D

-

F

-

A

-

R

-

W

-

C

S

V

R

E

K

E

D

G

A

D

E

V

V

P

L

A

A

D

S

V

L

S

G

L

L

Q

K

V

A

L

K

V

V

-

V

-

T

-
x
H

-

I

Q

Q

C

C

R

R

P

-

E

-

L

-

I

L

T

D

R

A

T

A

F

K

E

V

A

A

L

V

D

E

G

T

A

G

H

V

K

Q

P

G

I

I

V
x
D

H

L

F

L

Y

F

N

G

S

T

T

S

S

K

E

Y

L

L

Q

-

R

-

R

R

V

A

F

H

A

G

K

R

D

D

V

I

A

P

G

R

I

I

K

I

Q

E

I

E

A

A

T

K

D

E

A

V

A

I

K

A

M

Y

I

I

T

R

D

E

M

A

A

A

A

P

K

H

A

V

G

E

G

-

Y

V

R
|
R

F

F

E
x
S

Y

-

S

A

P

E

E

D

S

T

F

F

T

R

G

S

T

E

E

E

L

Q

E

D

V

L

A

L

L

-

E

-

I

-

C

-

N

-

A

A

V

V

T

Y

E

E

I

A

V

V

R

A

P

P

T

Y

P

V

D

D

N

R

K

-

L

-

I

-

I

V

N

G

L

L

P

A

S

D

T
|
T

V

V

E

G

M

V

A

A

T

T

P

P

N

R

I

Q

Y

V

A

Y

D

A

Q

L

I

V

E

R

W

E

M

V

C

R

R

R

N

V

L

V

D

G

N

P

R

R

E

V

N

D

L

-

I

I

S

E

L

F

H
|
H

P

G

H
|
H

N

N

D

D

R

T

G

G

T

C

G

A

I

I

A

A

A

N

T

A

E

Y

L

E

G

A

L

I

M

E

A

A

G

G

A

A

D

T

R

H

V

V

E

D

G

T

T

T

L

I

F

L

G

G

N

I

G

G

E

E

R

R

T

N

G

G

N

I

V

T

D

P

V

L

V

G

T

G

L

F

A

L

L

A

N

R

M

M

F

Y

T

T

Q

L

G

Q

V

P

D

E

P

Y

K

V

L

R

D

R

C

K

S

Y

D

K

I

L

E

E

R

M

I

L

K

P

E

E

V

L

Y

D

E

R

Y

M

S

V

N

A

Q

R

M

M

V

V

-

G

-

V

-

E

I

I

P

P

E

F

R

N

H

N

P

Y

Y

I

V

T

G

G

E

E

L

T

V

A

Y

F

T

S

A

H

F

K

S

A

G

G

S

M

H

H

Q

L

D

K

A

A

I

I

R12 (= R49) binding 2-oxoglutarate
E13 (≠ D50) binding Mg(2+)
H72 (vs. gap) binding 2-oxoglutarate; mutation to L: Significant decrease in sensitivity to lysine inhibition. Large decrease in affinity for 2-oxoglutarate. Almost no effect on affinity for acetyl-CoA and on turnover number.
D92 (≠ V135) binding L-lysine
R133 (= R180) binding 2-oxoglutarate
S135 (≠ E182) binding L-lysine
T166 (= T222) binding 2-oxoglutarate; binding L-lysine
H195 (= H253) binding Mg(2+)
H197 (= H255) binding Mg(2+)

3ivsA Homocitrate synthase lys4 (see paper)
26% identity, 40% coverage: 154:381/569 of query aligns to 102:307/364 of 3ivsA

query
sites
3ivsA

V

V

A

I

G

G

I

T

K

T

Q

Y

I

I

A

I

T

D

D

S

A

A

A

T

K

E

M

V

I

I

T

N

D

F

M

V

A

K

A

S

K

K

A

-

G

-

G

G

Y

I

R

E

F

V

E

R

Y

F

S

S

P

S

E

E

S

D

F

S

T

F

G

R

T

S

E

D

L

L

E

V

V

D

A

L

L

L

E

S

I

L

C

Y

N

K

A

A

V

V

T

D

E

K

I

I

V

-

R

-

P

-

T

-

P

G

D

V

N

N

K

R

L

-

I

-

I

V

N

G

L

I

P

A

S

D

T

T

V

V

E

G

M

C

A

A

T

T

P

P

N

R

I

-

Y

-

A

-

D

-

Q

Q

I

V

E

Y

W

D

M

L

C

I

R

R

N

T

L

L

D

R

N

G

R

V

E

V

N

S

L

C

L

D

I

I

S

E

L

C

H
|
H

P

F

H
|
H

N

N

D

D

R

T

G

G

T

M

G

A

I

I

A

A

A

N

T

A

E

Y

L

C

G

A

L

L

M

E

A

A

G

G

A

A

D

T

R

H

V

I

E

D

G

T

T

S

L

I

F

L

G

G

N

I

G

G

E

E

R

R

T

N

G

G

N

I

V

T

D

P

V

L

V

G

T

A

L

L

A

L

L

A

N

R

M

M

F

Y

T

V

-

T

-

D

-

R

Q

E

G

Y

V

I

D

T

P

H

K

K

L

Y

D

K

C

L

S

N

D

Q

I

L

E

R

R

E

I

L

K

E

E

N

V

L

Y

V

E

A

Y

D

S

A

N

V

Q

E

M

V

V

Q

I

I

P

P

E

F

R

N

H

N

P

Y

Y

I

V

T

G

G

E

M

L

C

V

A

Y

F

T

T

A

H

F

K

S

A

G

G

S

I

H

H

Q

A

D

K

A

A

I

I

N

-

K

-

G

-

M

-

K

-

A

-

L

-

K

-

Q

L

A

A

N

N

K

P

P

S

T

T

W

Y

E

E

V

I

P

-

Y

-

L

-

P

-

I

L

D

K

P

P

R

E

D

D

V

F

G

G

R

M

S

S

binding cobalt (ii) ion: H188 (= H253), H190 (= H255)

Sites not aligning to the query:

active site: 24
binding cobalt (ii) ion: 21

6ktqA Crystal structure of catalytic domain of homocitrate synthase from sulfolobus acidocaldarius (sahcs(dram)) in complex with alpha- ketoglutarate/zn2+/coa (see paper)
22% identity, 62% coverage: 48:397/569 of query aligns to 29:346/399 of 6ktqA

query
sites
6ktqA

L

L

R
|
R

D
x
E

G

G

N

E

Q

Q

S

T

L

P

V

G

D

V

P

V

M

F

G

T

H

T

D

D

R

Q

K

R

A

V

R

E

M

I

F

A

H

K

L

A

L

L

V

S

D

D

M

I

G

G

F

V

K

Q

E

M

I

I

E

E

I

A

G

G

F

H

P

P

S

A

A
x
V

S

S

Q

P

T

D

D

I

F

Y

D

E

F

G

A

I

R

R

W

R

C

I

V

I

E

K

-

L

-

K

-

R

E

E

G

G

D

V

V

I

P

K

A

S

D

E

V

I

S

V

L

A

Q

H

V

S

L
x
R

V
x
A

Q

V

C

K

R

R

P

D

E

I

L

E

I

V

T

G

R

A

T

E

F

I

E

E

A

A

L

-

D

-

G

-

A

-

H

-

K

D

P

R

I

I

V

A

H

I

F
|
F

Y

Y

N

G

-

I

S

S

T

D

S

T

E

H

L

L

Q

K

R

A

R

K

V
x
H

V

H

F

T

A

T

K

R

D

D

V

-

A

-

G

-

I

-

K

-

Q

-

I

-

A

-

T

-

D

E

A

A

A

L

K

R

M

S

I

I

T

A

D

E

M

T

A

V

A

S

K

Y

A

A

G

K

G

S

-

H

G

G

Y

V

R

K

F

V

E
x
R

Y

F

S
x
T

P

A

E
|
E

S

D

F

A

T

T

G

R

T

A

E

D

L

Y

E

Q

V

Y

A

L

L

L

E

E

I

V

C

I

N

K

A

T

V

V

T

-

E

-

I

-

V

-

R

R

P

D

T

A

P

G

D

A

N

D

K

R

L

-

I

-

I

V

N
x
S

L

I

P

A

S

D

T
|
T

V

V

E

G

M

V

A

-

T

-

P

-

N

-

I

L

Y

Y

A

P

D

S

Q

R

I

T

E

R

W

E

M

L

C

F

R

K

N

D

L

L

D

T

N

S

R

R

-

F

E

P

N

D

L

I

L

E

I

F

S

D

L

I

H
|
H

P

A

H
|
H

N

N

D

D

R

L

G

G

T

M

G

A

I

V

A

A

A

N

T

V

E

L

L

A

G

A

L

A

M

E

A

G

G

G

A

A

D

T

R

I

V

I

E

H

G

T

T

T

L

L

F

N

G

G

N

L

G

G

E

E

R

R

T

V

G

G

-

I

-

A

N

P

V

L

D

Q

V

V

T

A

L

A

A

A

L

L

N

K

M

-

F

Y

T

H

Q

F

G

G

V

I

D

E

P

V

K

-

L

V

D

D

C

L

S

K

D

K

I

L

E

S

R

E

I

V

K

A

E

S

V

L

Y

V

E

E

Y

K

S

Y

N

S

Q

G

M

I

V

A

I

L

P

P

E

P

R

N

H

F

P

P

Y

I

V

T

G

G

E

D

L

Y

V

A

Y

F

T

V

A

H

F

K

S

A

G

G

S

V

H

H

Q

V

D

A

A

G

I

V

N

-

K

-

G

-

M

-

K

-

A

-

L

-

K

-

Q

-

A

L

N

N

K

D

P

P

-

K

T

T

W

Y

E

E

V

-

P

-

Y

F

L

L

P

P

I

-

D

-

P

P

R

E

D

T

V

F

G

G

R

R

S

S

Y

R

E

D

A

Y

I

V

I

-

R

-

I

I

N

D

S

K

Q

Y

S

T

G

G

K

K

G

H

G

A

I

V

binding 2-oxoglutaric acid: R30 (= R49), R154 (≠ E182), T156 (≠ S184), E158 (= E186), S184 (≠ N218), T188 (= T222), H216 (= H253), H218 (= H255)
binding coenzyme a: V67 (≠ A86), R96 (≠ L112), A97 (≠ V113), F116 (= F137), H128 (≠ V148), E158 (= E186)
binding zinc ion: E31 (≠ D50), H216 (= H253), H218 (= H255)

3mi3A Homocitrate synthase lys4 bound to lysine (see paper)
26% identity, 38% coverage: 163:381/569 of query aligns to 112:309/370 of 3mi3A

query
sites
3mi3A

D

D

A

S

A

A

K

T

M

E

I

V

T

I

D

N

M

F

A

V

A

K

K

S

A

K

G

G

G

I

G

E

Y

V

R

R

F

F

E

S

Y

-

S

S

P

E

E

D

S

S

F

F

T

R

G

-

T

S

E

D

L

L

E

V

V

D

A

L

L

L

E

S

I

L

C

Y

N

K

A

A

V

V

T

D

E

K

I

I

V

-

R

-

P

-

T

-

P

G

D

V

N

N

K

R

L

-

I

-

I

V

N

G

L

I

P

A

S

D

T
|
T

V

V

E

G

M

C

A

A

T

T

P

P

N

R

I

-

Y

-

A

-

D

-

Q

Q

I

V

E

Y

W

D

M

L

C

I

R

R

N

T

L

L

D

R

N

G

R

V

E

V

N

S

L

C

L

D

I

I

S

E

L

C

H
|
H

P

F

H
|
H

N

N

D

D

R

T

G

G

T

M

G

A

I

I

A

A

A

N

T

A

E

Y

L

C

G

A

L

L

M

E

A

A

G

G

A

A

D

T

R

H

V

I

E

D

G

T

T

S

L

I

F

L

G

G

N

I

G

G

E

E

R

R

T

N

G

G

N

I

V

T

D

P

V

L

V

G

T

A

L

L

A

L

L

A

N

R

M

M

F

Y

T

V

-

T

-

D

-

R

Q

E

G

Y

V

I

D

T

P

H

K

K

L

Y

D

K

C

L

S

N

D

Q

I

L

E

R

R

E

I

L

K

E

E

N

V

L

Y

V

E

A

Y

D

S

A

N

V

Q

E

M

V

V

Q

I

I

P

P

E

F

R

N

H

N

P

Y

Y

I

V

T

G

G

E

M

L

C

V

A

Y

F

T

T

A

H

F

K

S

A

G

G

S

I

H

H

Q

A

D

K

A

A

I

I

N

-

K

-

G

-

M

-

K

-

A

-

L

-

K

-

Q

L

A

A

N

N

K

P

P

S

T

T

W

Y

E

E

V

I

P

-

Y

-

L

-

P

-

I

L

D

K

P

P

R

E

D

D

V

F

G

G

R

M

S

S

binding lysine: T163 (= T222), H190 (= H253), H192 (= H255)
binding zinc ion: H190 (= H253), H192 (= H255)

Sites not aligning to the query:

2zyfA Crystal structure of homocitrate synthase from thermus thermophilus complexed with magnesuim ion and alpha-ketoglutarate (see paper)
30% identity, 26% coverage: 202:351/569 of query aligns to 143:290/314 of 2zyfA

query
sites
2zyfA

A

A

V

V

T

Y

E

E

I

A

V

V

R

A

P

P

T

Y

P

V

D

D

N

R

K

-

L

-

I

-

I

V

N

G

L

L

P

A

S

D

T
|
T

V

V

E

G

M

V

A

A

T

T

P

P

N

R

I

Q

Y

V

A

Y

D

A

Q

L

I

V

E

R

W

E

M

V

C

R

R

R

N

V

L

V

D

G

N

P

R

R

E

V

N

D

L

-

I

I

S

E

L

F

H
|
H

P

G

H
|
H

N

N

D

D

R

T

G

G

T

C

G

A

I

I

A

A

A

N

T

A

E

Y

L

E

G

A

L

I

M

E

A

A

G

G

A

A

D

T

R

H

V

V

E

D

G

T

T

T

L

I

F

L

G

G

N

I

G

G

E

E

R

R

T

N

G

G

N

I

V

T

D

P

V

L

V

G

T

G

L

F

A

L

L

A

N

R

M

M

F

Y

T

T

Q

L

G

Q

V

P

D

E

P

Y

K

V

L

R

D

R

C

K

S

Y

D

K

I

L

E

E

R

M

I

L

K

P

E

E

V

L

Y

D

E

R

Y

M

S

V

N

A

Q

R

M

M

V

V

-

G

-

V

-

E

I

I

P

P

E

F

R

N

H

N

P

Y

Y

I

V

T

G

G

E

E

L

T

V

A

Y

F

T

S

A

H

F

K

S

A

G

G

S

M

H

H

Q

L

D

K

A

A

I

I

binding 2-oxoglutaric acid: T160 (= T222), H189 (= H253)
binding magnesium ion: H189 (= H253), H191 (= H255)

Sites not aligning to the query:

active site: 16
binding 2-oxoglutaric acid: 12, 72, 94, 127
binding magnesium ion: 13

Query Sequence

>WP_012708863.1 NCBI__GCF_000018545.1:WP_012708863.1
MIVRSHPIKTGMPEAAVKYQAYPQVALPDRTWPSKSIDKAPIWCSVDLRDGNQSLVDPMG
HDRKARMFHLLVDMGFKEIEIGFPSASQTDFDFARWCVEEGDVPADVSLQVLVQCRPELI
TRTFEALDGAHKPIVHFYNSTSELQRRVVFAKDVAGIKQIATDAAKMITDMAAKAGGGYR
FEYSPESFTGTELEVALEICNAVTEIVRPTPDNKLIINLPSTVEMATPNIYADQIEWMCR
NLDNRENLLISLHPHNDRGTGIAATELGLMAGADRVEGTLFGNGERTGNVDVVTLALNMF
TQGVDPKLDCSDIERIKEVYEYSNQMVIPERHPYVGELVYTAFSGSHQDAINKGMKALKQ
ANKPTWEVPYLPIDPRDVGRSYEAIIRINSQSGKGGIAYIMQEDYGINLPRNLQIEFRED
IQRITDEEGKELPSKRIHQRFVERYVEQPGARIKFVDHHTYPVSDHKSLRVVAAEITDRG
ETKRIEGKGTGPIDGFINALSIYLGVELSVADYSEHSLQHGSNAAAIAYVEVEHPGGTLF
GAGINTNIVAASLEAIVSAANRVLELIGK

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