SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_025273525.1 NCBI__GCF_000527155.1:WP_025273525.1 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)
60% identity, 58% coverage: 10:565/956 of query aligns to 45:641/644 of P9WQB3

query
sites
P9WQB3

R

R

Y

Y

R

R

P

P

F

F

H

A

E
|
E

I
x
V

R
x
E

-
x
P

V
x
I

H
x
R

L
|
L

P
x
R

D
x
N

R
|
R

T
|
T

W
|
W

P
|
P

D
|
D

R
|
R

I
x
V

I
|
I

D
|
D

H
x
R

A
|
A

P
|
P

T
x
L

W
|
W

C
|
C

A
|
A

V
|
V

D
|
D

L
|
L

R
|
R

D
|
D

G
|
G

N
|
N

Q
|
Q

A
|
A

L
|
L

I
|
I

D
|
D

P
|
P

M
|
M

D
x
S

L
x
P

E
x
A

R
|
R

K
|
K

K
x
R

T
x
R

M
|
M

F
|
F

Q
x
D

T
x
L

L
|
L

V
|
V

D
x
R

M
|
M

G
|
G

Y
|
Y

K
|
K

E
|
E

I
|
I

E
|
E

V
|
V

G
|
G

F
|
F

P
|
P

A
x
S

A
|
A

S
|
S

Q
|
Q

T
|
T

D
|
D

F
|
F

D
|
D

F
|
F

V
|
V

R
|
R

A
x
E

L
x
I

I
|
I

E
|
E

E
x
Q

E
x
G

R
x
A

I
|
I

P
|
P

A
x
D

D
|
D

V
|
V

S
x
T

I
|
I

Q
|
Q

V
|
V

L
|
L

T
|
T

Q
|
Q

C
|
C

R
|
R

D
x
P

H
x
E

L
|
L

I
|
I

K
x
E

R
|
R

T
|
T

F
|
F

E
x
Q

S
x
A

L
x
C

R
x
S

G
|
G

A
|
A

R
x
P

Q
x
R

A
|
A

I
|
I

V
|
V

H
|
H

F
|
F

Y
|
Y

N
|
N

S
|
S

T
|
T

S
|
S

I
|
I

L
|
L

Q
|
Q

R
|
R

K
x
R

V
|
V

F
|
F

Q
x
R

A
|
A

D
x
N

K
x
R

P
x
A

S
x
E

I
x
V

T
x
Q

K
x
A

I
|
I

A
|
A

T
|
T

D
|
D

G
|
G

A
|
A

E
x
R

L
x
K

C
|
C

L
x
V

K
x
E

Y
x
Q

A
|
A

D
x
K

I
x
Y

T

-

P
|
P

D
x
G

T
|
T

D
x
Q

I
x
W

R
|
R

Y
x
F

E
|
E

Y
|
Y

S
|
S

P
|
P

E
|
E

S
|
S

F
x
Y

T
|
T

G
|
G

T
|
T

E
|
E

L
|
L

E
|
E

Y
|
Y

A
|
A

V
x
K

D
x
Q

I
x
V

C
|
C

N
x
D

A
|
A

V
|
V

A
x
G

E
|
E

V
|
V

I
|
I

D
x
A

P
|
P

S
x
T

I
x
P

D
x
E

R
|
R

P
|
P

L
x
I

I
|
I

L
x
F

N
|
N

L
|
L

P
|
P

A
|
A

T
|
T

V
|
V

E
|
E

M
|
M

A
x
T

T
|
T

P
|
P

N
|
N

I
x
V

Y
|
Y

A
|
A

D
|
D

S
|
S

I
|
I

E
|
E

W
|
W

F
x
M

K
x
S

R
|
R

H
x
N

F
x
L

A
|
A

R
x
N

P
x
R

E
|
E

A
x
S

M
x
V

I
|
I

L
|
L

S
|
S

V
x
L

H
|
H

P
|
P

H
|
H

N
|
N

D
|
D

R
|
R

G
|
G

T
|
T

G
x
A

V
|
V

A
|
A

E
|
E

L
|
L

A
x
G

V
x
F

Q
x
A

A
|
A

G
|
G

A
|
A

D
|
D

R
|
R

V
x
I

E
|
E

G
|
G

C
|
C

L
|
L

F
|
F

G
|
G

N
|
N

G
|
G

E
|
E

R
|
R

T
|
T

G
|
G

N
|
N

V
|
V

C
|
C

L
|
L

V
|
V

T
|
T

L
|
L

G
|
G

M
x
L

N
|
N

L
|
L

F
|
F

T
x
S

Q
x
R

G
|
G

V
|
V

D
|
D

P
|
P

E
x
Q

I
|
I

D
|
D

F
|
F

G
x
S

D
x
N

I
|
I

D
|
D

S
x
E

I
|
I

R
|
R

K
x
T

V
|
V

E
|
E

Y
|
Y

C
|
C

N
|
N

R
x
Q

L
|
L

P
|
P

V
|
V

P
x
H

E
|
E

R
|
R

H
|
H

P
|
P

Y
|
Y

A
x
G

G
|
G

D
|
D

L
|
L

V
|
V

F
x
Y

T
|
T

A
|
A

F
|
F

S
|
S

G
|
G

S
|
S

H
|
H

Q
|
Q

D
|
D

A
|
A

I
|
I

K
x
N

K
|
K

G
|
G

L
|
L

Q
x
D

A
|
A

L
x
M

E
x
K

S
x
L

E
x
D

A
|
A

D
|
D

Q
x
A

A
|
A

G
x
D

V
x
C

A
x
D

V
|
V

E
x
D

Q
x
D

Y
x
M

P
x
L

W
|
W

A
x
Q

V
|
V

P
|
P

Y
|
Y

L
|
L

P
|
P

V
x
I

D
|
D

P
|
P

K
x
R

D
|
D

I
x
V

G
|
G

R
|
R

N
x
T

Y
|
Y

E
|
E

A
|
A

V
|
V

I
|
I

R
|
R

V
|
V

N
|
N

S
|
S

Q
|
Q

S
|
S

G
|
G

K
|
K

G
|
G

V
|
V

S
x
A

Y
|
Y

I
|
I

M
|
M

H
x
K

H
x
T

D
|
D

Y
x
H

G
|
G

F
x
L

D
x
S

L
|
L

P
|
P

R
|
R

M
x
L

Q
|
Q

I
|
I

E
|
E

F
|
F

S
|
S

Q
|
Q

A
x
V

I
|
I

Q
|
Q

K
|
K

-
x
I

-
x
A

-
x
E

H
x
G

T
|
T

D
x
A

H
x
G

S
x
E

G
|
G

R
x
G

E
|
E

V
|
V

T
x
S

P
|
P

E
x
K

E
|
E

I
x
M

H
x
W

D
|
D

V
x
A

F
|
F

R
x
A

R
x
E

E
|
E

Y
|
Y

H
x
L

P
x
A

E
x
P

Y
x
V

Q
x
R

P
|
P

N
x
L

A
x
E

R
|
R

L
x
I

A
x
R

V
x
Q

G
x
H

S
x
V

C
x
D

N
x
A

T
x
A

S
x
D

T
x
D

H
x
D

G
|
G

D
x
G

E
x
T

V
x
T

T
x
S

V
x
I

E
x
T

A
|
A

V
x
T

V
|
V

T
x
K

L
x
I

D
x
N

G
|
G

Q
x
V

E
|
E

H
x
T

K
x
E

I
|
I

I
x
S

G
|
G

D
x
S

G
|
G

N
|
N

G
|
G

P
|
P

L
|
L

S
x
A

A
|
A

F
|
F

V
|
V

S
x
H

A
|
A

L
|
L

A
|
A

E
x
D

V
|
V

D
x
G

V
x
F

A
x
D

V
|
V

E
x
A

V
|
V

Q
x
L

E
x
D

Y
|
Y

V
x
Y

Q
x
E

H
|
H

S
x
A

L
x
M

S
|
S

T
x
A

G
|
G

S
x
D

D
|
D

A
|
A

K
x
Q

S
x
A

A
|
A

Y
|
Y

V
|
V

E
|
E

C
x
A

A
x
S

I
x
V

-
x
T

-
x
I

-
x
A

-
x
S

-
x
P

-
x
A

-
x
Q

-
x
P

G
|
G

E
|
E

-
x
A

-
x
G

-
x
R

-
x
H

-
x
A

-
x
S

-
x
D

-
x
P

-
x
V

-
x
T

-
x
I

-
x
A

-
x
S

-
x
P

-
x
A

-
x
Q

-
x
P

-
x
G

-
x
E

-
x
A

-
x
G

-
x
R

-
x
H

-
x
A

-
x
S

-
x
D

-
x
P

-
x
V

-
x
T

-
x
S

R
x
K

T
|
T

V
|
V

W
|
W

G
|
G

A
x
V

G
|
G

V
x
I

H
x
A

S
x
P

N
x
S

I
|
I

T
|
T

L
x
T

A
|
A

T
x
S

L
|
L

R
|
R

A
|
A

L
x
V

A
x
V

S
|
S

A
|
A

V
|
V

N
|
N

R
|
R

51:368 (vs. 16:333, 70% identical) N-terminal domain
R80 (= R44) binding 3-methyl-2-oxobutanoate
T254 (= T219) binding 3-methyl-2-oxobutanoate
H285 (= H250) binding 3-methyl-2-oxobutanoate
H287 (= H252) binding 3-methyl-2-oxobutanoate
369:424 (vs. 334:389, 64% identical) Subdomain I
425:433 (vs. 390:398, 100% identical) Linker
434:490 (vs. 399:452, 56% identical) Subdomain II
N532 (= N494) binding L-leucine
A536 (≠ S498) binding L-leucine
D563 (≠ S525) binding L-leucine
A565 (= A527) binding L-leucine
P625 (≠ S549) binding L-leucine
I627 (= I551) binding L-leucine

Sites not aligning to the query:

426:644 Required for the condensation reaction. Not required to bind substrate
491:644 Regulatory domain

3figB Crystal structure of leucine-bound leua from mycobacterium tuberculosis (see paper)
62% identity, 58% coverage: 10:565/956 of query aligns to 28:574/577 of 3figB

query
sites
3figB

R

R

Y

Y

R

R

P

P

F

F

H

A

E

E

I

V

R

E

-

P

V

I

H

R

L

L

P

R

D

N

R

R

T

T

W

W

P

P

D

D

R

R

I

V

I

I

D

D

H

R

A

A

P

P

T

L

W

W

C

C

A

A

V

V

D

D

L

L

R

R

D
|
D

G

G

N

N

Q

Q

A

A

L

L

I

I

D

D

P

P

M

M

D

S

L

P

E

A

R

R

K

K

K

R

T

R

M

M

F

F

Q

D

T

L

L

L

V

V

D

R

M

M

G

G

Y

Y

K

K

E

E

I

I

E

E

V

V

G

G

F

F

P

P

A

S

A

A

S

S

Q

Q

T

T

D

D

F

F

D

D

F

F

V

V

R

R

A

E

L

I

I

I

E

E

E

Q

E

G

R

A

I

I

P

P

A

D

D

D

V

V

S

T

I

I

Q

Q

V

V

L

L

T

T

Q

Q

C

C

R

R

D

P

H

E

L

L

I

I

K

E

R

R

T

T

F

F

E

Q

S

A

L

C

R

S

G

G

A

A

R

P

Q

R

A

A

I

I

V

V

H

H

F

F

Y

Y

N

N

S

S

T

T

S

S

I

I

L

L

Q

Q

R

R

K

R

V

V

F

F

Q

R

A

A

D

N

K

R

P

A

S

E

I

V

T

Q

K

A

I

I

A

A

T

T

D

D

G

G

A

A

E

R

L

K

C

C

L

V

K

E

Y

Q

A

A

D

K

I

Y

T

-

P

P

D

G

T

T

D

Q

I

W

R

R

Y

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

Y

Y

A

A

V

K

D

Q

I

V

C

C

N

D

A

A

V

V

A

G

E

E

V

V

I

I

D

A

P

P

S

T

I

P

D

E

R

R

P

P

L

I

I

I

L

F

N

N

L

L

P

P

A

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

S

S

I

I

E

E

W

W

F

M

K

S

R

R

H

N

F

L

A

A

R

N

P

R

E

E

A

S

M

V

I

I

L

L

S

S

V

L

H
|
H

P

P

H
|
H

N

N

D

D

R

R

G

G

T

T

G

A

V

V

A

A

E

E

L

L

A

G

V

F

Q

A

A

A

G

G

A

A

D

D

R

R

V

I

E

E

G

G

C

C

L

L

F

F

G

G

N

N

G

G

E

E

R

R

T

T

G

G

N

N

V

V

C

C

L

L

V

V

T

T

L

L

G

G

M

L

N

N

L

L

F

F

T

S

Q

R

G

G

V

V

D

D

P

P

E

Q

I

I

D

D

F

F

G

S

D

N

I

I

D

D

S

E

I

I

R

R

K

T

V

V

E

E

Y

Y

C

C

N

N

R

Q

L

L

P

P

V

V

P

H

E

E

R

R

H

H

P

P

Y

Y

A

G

G

G

D

D

L

L

V

V

F

Y

T

T

A

A

F

F

S

S

G

G

S

S

H

H

Q

Q

D

D

A

A

I

I

K

N

K

K

G

G

L

L

Q

D

A

A

L

M

E

K

S

L

E

D

A

A

D

D

Q

A

A

A

G

D

V

C

A

D

V

V

E

D

Q

D

Y

M

P

L

W

W

A

Q

V

V

P

P

Y

Y

L

L

P

P

V

I

D

D

P

P

K

R

D

D

I

V

G

G

R

R

N

T

Y

Y

E

E

A

A

V

V

I

I

R

R

V

V

N

N

S

-

Q

-

S

-

G

-

K

K

G

G

V

V

S

A

Y

Y

I

I

M

M

H

K

H

T

D

D

Y

H

G

G

F

L

D

S

L

L

P

P

R

R

M

L

Q

Q

I

I

E

E

F

F

S

S

Q

Q

A

V

I

I

Q

Q

K

K

H

-

T

-

D

-

H

-

S

-

G

-

R

-

E

-

V

V

T

S

P

P

E

K

E

E

I

M

H

W

D

D

V

A

F

F

R

A

R

E

E

E

Y

Y

H

L

P

A

E

P

Y

V

Q

R

P

P

N

L

A

E

R

R

L

I

A

R

V

Q

G

H

S

V

C

D

N

A

T

A

S

D

T

D

H

D

G

G

D

G

E

T

V

T

T

S

V

I

E

T

A

A

V

T

V

V

T

K

L

I

D

N

G

G

Q

V

E

E

H

T

K

E

I

I

I

S

G

G

D

S

G

G

N

N

G
|
G

P
|
P

L
|
L

S
x
A

A

A

F

F

V

V

S

H

A

A

L

L

A

A

E

D

V

V

D

G

V

F

A

D

V

V

E

A

V

V

Q

L

E

D

Y

Y

V

Y

Q

E

H

H

S

A

L

M

S

S

T

A

G

G

S
x
D

D

D

A
|
A

K

Q

S

A

A

A

Y

Y

V

V

E

E

C

A

A

S

I

V

-

T

-

I

-

A

G

T

E

S

R

K

T

T

V

V

W

W

G

G

A

V

G

G

V

I

H

A

S
x
P

N

S

I
|
I

T

T

L

T

A

A

T

S

L

L

R

R

A

A

L

V

A

V

S

S

A

A

V

V

N

N

R

R

binding leucine: G501 (= G495), P502 (= P496), L503 (= L497), A504 (≠ S498), D531 (≠ S525), A533 (= A527), P558 (≠ S549), I560 (= I551)
binding zinc ion: D64 (= D45), H268 (= H250), H270 (= H252)

3hpzB Crystal structure of mycobacterium tuberculosis leua complexed with bromopyruvate
62% identity, 58% coverage: 10:565/956 of query aligns to 28:574/576 of 3hpzB

query
sites
3hpzB

R

R

Y

Y

R

R

P

P

F

F

H

A

E

E

I

V

R

E

-

P

V

I

H

R

L

L

P

R

D

N

R

R

T

T

W

W

P

P

D

D

R

R

I

V

I

I

D

D

H

R

A

A

P

P

T

L

W

W

C

C

A

A

V

V

D

D

L

L

R

R

D
|
D

G

G

N

N

Q

Q

A

A

L

L

I

I

D

D

P

P

M

M

D

S

L

P

E

A

R

R

K

K

K

R

T

R

M

M

F

F

Q

D

T

L

L

L

V

V

D

R

M

M

G

G

Y

Y

K

K

E

E

I

I

E

E

V

V

G

G

F

F

P

P

A

S

A

A

S

S

Q

Q

T

T

D

D

F

F

D

D

F

F

V

V

R

R

A

E

L

I

I

I

E

E

E

Q

E

G

R

A

I

I

P

P

A

D

D

D

V

V

S

T

I

I

Q

Q

V

V

L

L

T

T

Q

Q

C

C

R

R

D

P

H

E

L

L

I

I

K

E

R

R

T

T

F

F

E

Q

S

A

L

C

R

S

G

G

A

A

R

P

Q

R

A

A

I

I

V

V

H

H

F

F

Y

Y

N

N

S

S

T

T

S

S

I

I

L

L

Q

Q

R

R

K

R

V

V

F

F

Q

R

A

A

D

N

K

R

P

A

S

E

I

V

T

Q

K

A

I

I

A

A

T

T

D

D

G

G

A

A

E

R

L

K

C

C

L

V

K

E

Y

Q

A

A

D

K

I

Y

T

-

P

P

D

G

T

T

D

Q

I

W

R

R

Y

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

Y

Y

A

A

V

K

D

Q

I

V

C

C

N

D

A

A

V

V

A

G

E

E

V

V

I

I

D

A

P

P

S

T

I

P

D

E

R

R

P

P

L

I

I

I

L

F

N

N

L

L

P
|
P

A

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

S

S

I

I

E

E

W

W

F

M

K

S

R

R

H

N

F

L

A

A

R

N

P

R

E

E

A

S

M

V

I

I

L

L

S

S

V

L

H
|
H

P

P

H
|
H

N

N

D

D

R

R

G

G

T

T

G

A

V

V

A

A

E

E

L

L

A

G

V

F

Q

A

A

A

G

G

A

A

D

D

R

R

V

I

E

E

G

G

C

C

L

L

F

F

G

G

N

N

G

G

E

E

R

R

T

T

G

G

N

N

V

V

C

C

L

L

V

V

T

T

L

L

G

G

M

L

N

N

L

L

F

F

T

S

Q

R

G

G

V

V

D

D

P

P

E

Q

I

I

D

D

F

F

G

S

D

N

I

I

D

D

S

E

I

I

R

R

K

T

V

V

E

E

Y

Y

C

C

N

N

R

Q

L

L

P

P

V

V

P

H

E

E

R

R

H

H

P

P

Y

Y

A

G

G

G

D

D

L

L

V

V

F

Y

T

T

A

A

F

F

S

S

G

G

S

S

H

H

Q

Q

D

D

A

A

I

I

K

N

K

K

G

G

L

L

Q

D

A

A

L

M

E

K

S

L

E

D

A

A

D

D

Q

A

A

A

G

D

V

C

A

D

V

V

E

D

Q

D

Y

M

P

L

W

W

A

Q

V

V

P

P

Y

Y

L

L

P

P

V

I

D

D

P

P

K

R

D

D

I

V

G

G

R

R

N

T

Y

Y

E

E

A

A

V

V

I

I

R

R

V

V

N

N

S

-

Q

-

S

-

G

-

K

K

G

G

V

V

S

A

Y

Y

I

I

M

M

H

K

H

T

D

D

Y

H

G

G

F

L

D

S

L

L

P

P

R

R

M

L

Q

Q

I

I

E

E

F

F

S

S

Q

Q

A

V

I

I

Q

Q

K

K

H

-

T

-

D

-

H

-

S

-

G

-

R

-

E

-

V

V

T

S

P

P

E

K

E

E

I

M

H

W

D

D

V

A

F

F

R

A

R

E

E

E

Y

Y

H

L

P

A

E

P

Y

V

Q

R

P

P

N

L

A

E

R

R

L

I

A

R

V

Q

G

H

S

V

C

D

N

A

T

A

S

D

T

D

H

D

G

G

D

G

E

T

V

T

T

S

V

I

E

T

A

A

V

T

V

V

T

K

L

I

D

N

G

G

Q

V

E

E

H

T

K

E

I

I

I

S

G

G

D

S

G

G

N

N

G

G

P

P

L

L

S

A

A

A

F

F

V

V

S

H

A

A

L

L

A

A

E

D

V

V

D

G

V

F

A

D

V

V

E

A

V

V

Q

L

E

D

Y

Y

V

Y

Q

E

H

H

S

A

L

M

S

S

T

A

G

G

S

D

D

D

A

A

K

Q

S

A

A

A

Y

Y

V

V

E

E

C

A

A

S

I

V

-

T

-

I

-

A

G

T

E

S

R

K

T

T

V

V

W

W

G

G

A

V

G

G

V

I

H

A

S

P

N

S

I

I

T

T

L

T

A

A

T

S

L

L

R

R

A

A

L

V

A

V

S

S

A

A

V

V

N

N

R

R

binding Bromopyruvate: E201 (= E183), P235 (= P217), T237 (= T219), H268 (= H250), H270 (= H252)
binding zinc ion: D64 (= D45), H268 (= H250), H270 (= H252)

3hq1A Crystal structure of mycobacterium tuberculosis leua complexed with citrate and mn2+
62% identity, 58% coverage: 10:565/956 of query aligns to 28:571/573 of 3hq1A

query
sites
3hq1A

R

R

Y

Y

R

R

P

P

F

F

H

A

E

E

I

V

R

E

-

P

V

I

H

R

L

L

P

R

D

N

R

R

T

T

W

W

P

P

D

D

R

R

I

V

I

I

D

D

H

R

A

A

P

P

T

L

W

W

C

C

A

A

V

V

D

D

L

L

R

R

D
|
D

G

G

N

N

Q

Q

A

A

L

L

I

I

D

D

P

P

M

M

D

S

L

P

E

A

R

R

K

K

K

R

T

R

M

M

F

F

Q

D

T

L

L

L

V

V

D

R

M

M

G

G

Y

Y

K

K

E

E

I

I

E

E

V

V

G

G

F

F

P

P

A

S

A

A

S

S

Q

Q

T

T

D

D

F

F

D

D

F

F

V

V

R

R

A

E

L

I

I

I

E

E

E

Q

E

G

R

A

I

I

P

P

A

D

D

D

V

V

S

T

I

I

Q

Q

V

V

L

L

T

T

Q

Q

C

C

R

R

D

P

H

E

L

L

I

I

K

E

R

R

T

T

F

F

E

Q

S

A

L

C

R

S

G

G

A

A

R

P

Q

R

A

A

I

I

V

V

H

H

F

F

Y

Y

N

N

S

S

T

T

S

S

I

I

L

L

Q

Q

R

R

K

R

V

V

F

F

Q

R

A

A

D

N

K

R

P

A

S

E

I

V

T

Q

K

A

I

I

A

A

T

T

D

D

G

G

A

A

E

R

L

K

C

C

L

V

K

E

Y

Q

A

A

D

K

I

Y

T

-

P

P

D

G

T

T

D

Q

I

W

R

R

Y

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

Y

Y

A

A

V

K

D

Q

I

V

C

C

N

D

A

A

V

V

A

G

E

E

V

V

I

I

D

A

P

P

S

T

I

P

D

E

R

R

P

P

L

I

I

I

L

F

N

N

L

L

P

P

A

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

S

S

I

I

E

E

W

W

F

M

K

S

R

R

H

N

F

L

A

A

R

N

P

R

E

E

A

S

M

V

I

I

L

L

S

S

V

L

H
|
H

P

P

H
|
H

N

N

D

D

R

R

G

G

T

T

G

A

V

V

A

A

E

E

L

L

A

G

V

F

Q

A

A

A

G

G

A

A

D

D

R

R

V

I

E

E

G

G

C

C

L

L

F

F

G

G

N

N

G

G

E

E

R

R

T

T

G

G

N
|
N

V

V

C

C

L

L

V

V

T

T

L

L

G

G

M

L

N

N

L

L

F

F

T

S

Q

R

G

G

V

V

D

D

P

P

E

Q

I

I

D

D

F

F

G

S

D

N

I

I

D

D

S

E

I

I

R

R

K

T

V

V

E

E

Y

Y

C

C

N

N

R

Q

L

L

P

P

V

V

P

H

E

E

R

R

H

H

P

P

Y

Y

A

G

G

G

D

D

L

L

V

V

F

Y

T

T

A

A

F

F

S

S

G

G

S

S

H

H

Q

Q

D

D

A

A

I

I

K

N

K

K

G

G

L

L

Q

D

A

A

L

M

E

K

S

L

E

D

A

A

D

D

Q

A

A

A

G

D

V

C

A

D

V

V

E

D

Q

D

Y

M

P

L

W

W

A

Q

V

V

P

P

Y

Y

L

L

P

P

V

I

D

D

P

P

K

R

D

D

I

V

G

G

R

R

N

T

Y

Y

E

E

A

A

V

V

I

I

R

-

V

-

N

-

S

-

Q

-

S

-

G

-

K

K

G

G

V

V

S

A

Y

Y

I

I

M

M

H

K

H

T

D

D

Y

H

G

G

F

L

D

S

L

L

P

P

R

R

M

L

Q

Q

I

I

E

E

F

F

S

S

Q

Q

A

V

I

I

Q

Q

K

K

H

I

T

-

D

-

H

-

S

-

G

-

R

-

E

E

V

V

T

S

P

P

E

K

E

E

I

M

H

W

D

D

V

A

F

F

R

A

R

E

E

E

Y

Y

H

L

P

A

E

P

Y

V

Q

R

P

P

N

L

A

E

R

R

L

I

A

R

V

Q

G

H

S

V

C

D

N

A

T

A

S

D

T

D

H

D

G

G

D

G

E

T

V

T

T

S

V

I

E

T

A

A

V

T

V

V

T

K

L

I

D

N

G

G

Q

V

E

E

H

T

K

E

I

I

I

S

G

G

D

S

G

G

N

N

G

G

P

P

L

L

S

A

A

A

F

F

V

V

S

H

A

A

L

L

A

A

E

D

V

V

D

G

V

F

A

D

V

V

E

A

V

V

Q

L

E

D

Y

Y

V

Y

Q

E

H

H

S

A

L

M

S

S

T

A

G

G

S

D

D

D

A

A

K

Q

S

A

A

A

Y

Y

V

V

E

E

C

A

A

S

I

V

G

T

-

I

E

S

R

K

T

T

V

V

W

W

G

G

A

V

G

G

V

I

H

A

S

P

N

S

I

I

T

T

L

T

A

A

T

S

L

L

R

R

A

A

L

V

A

V

S

S

A

A

V

V

N

N

R

R

binding manganese (ii) ion: D64 (= D45), H268 (= H250), H270 (= H252), N304 (= N286)

1sr9A Crystal structure of leua from mycobacterium tuberculosis (see paper)
62% identity, 58% coverage: 10:565/956 of query aligns to 28:571/573 of 1sr9A

query
sites
1sr9A

R

R

Y

Y

R

R

P

P

F

F

H

A

E

E

I

V

R

E

-

P

V

I

H

R

L

L

P

R

D

N

R

R

T

T

W

W

P

P

D

D

R

R

I

V

I

I

D

D

H

R

A

A

P

P

T

L

W

W

C

C

A

A

V

V

D

D

L

L

R
|
R

D
|
D

G

G

N

N

Q

Q

A

A

L

L

I

I

D

D

P

P

M

M

D

S

L

P

E

A

R

R

K

K

K

R

T

R

M

M

F

F

Q

D

T

L

L

L

V

V

D

R

M

M

G

G

Y

Y

K

K

E

E

I

I

E

E

V

V

G

G

F

F

P

P

A

S

A

A

S

S

Q

Q

T

T

D

D

F

F

D

D

F

F

V

V

R

R

A

E

L

I

I

I

E

E

E

Q

E

G

R

A

I

I

P

P

A

D

D

D

V

V

S

T

I

I

Q

Q

V

V

L

L

T

T

Q

Q

C

C

R

R

D

P

H

E

L

L

I

I

K

E

R

R

T

T

F

F

E

Q

S

A

L

C

R

S

G

G

A

A

R

P

Q

R

A

A

I

I

V

V

H

H

F

F

Y

Y

N

N

S

S

T

T

S

S

I

I

L

L

Q

Q

R

R

K

R

V

V

F

F

Q

R

A

A

D

N

K

R

P

A

S

E

I

V

T

Q

K

A

I

I

A

A

T

T

D

D

G

G

A

A

E

R

L

K

C

C

L

V

K

E

Y

Q

A

A

D

K

I

Y

T

-

P

P

D

G

T

T

D

Q

I

W

R

R

Y

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

Y

Y

A

A

V

K

D

Q

I

V

C

C

N

D

A

A

V

V

A

G

E

E

V

V

I

I

D

A

P

P

S

T

I

P

D

E

R

R

P

P

L

I

I

I

L

F

N

N

L

L

P
|
P

A

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

S

S

I

I

E

E

W

W

F

M

K

S

R

R

H

N

F

L

A

A

R

N

P

R

E

E

A

S

M

V

I

I

L

L

S

S

V

L

H
|
H

P

P

H
|
H

N

N

D

D

R

R

G

G

T

T

G

A

V

V

A

A

E

E

L

L

A

G

V

F

Q

A

A

A

G

G

A

A

D

D

R

R

V

I

E

E

G

G

C

C

L

L

F

F

G

G

N

N

G

G

E

E

R

R

T

T

G

G

N

N

V

V

C

C

L

L

V

V

T

T

L

L

G

G

M

L

N

N

L

L

F

F

T

S

Q

R

G

G

V

V

D

D

P

P

E

Q

I

I

D

D

F

F

G

S

D

N

I

I

D

D

S

E

I

I

R

R

K

T

V

V

E

E

Y

Y

C

C

N

N

R

Q

L

L

P

P

V

V

P

H

E

E

R

R

H

H

P

P

Y

Y

A

G

G

G

D

D

L

L

V

V

F

Y

T

T

A

A

F

F

S

S

G

G

S

S

H

H

Q

Q

D

D

A

A

I

I

K

N

K

K

G

G

L

L

Q

D

A

A

L

M

E

K

S

L

E

D

A

A

D

D

Q

A

A

A

G

D

V

C

A

D

V

V

E

D

Q

D

Y

M

P

L

W

W

A

Q

V

V

P

P

Y

Y

L

L

P

P

V

I

D

D

P

P

K

R

D

D

I

V

G

G

R

R

N

T

Y

Y

E

E

A

A

V

V

I

I

R

-

V

-

N

-

S

-

Q

-

S

-

G

-

K

K

G

G

V

V

S

A

Y

Y

I

I

M

M

H

K

H

T

D

D

Y

H

G

G

F

L

D

S

L

L

P

P

R

R

M

L

Q

Q

I

I

E

E

F

F

S

S

Q

Q

A

V

I

I

Q

Q

K

K

H

I

T

-

D

-

H

-

S

-

G

-

R

-

E

E

V

V

T

S

P

P

E

K

E

E

I

M

H

W

D

D

V

A

F

F

R

A

R

E

E

E

Y

Y

H

L

P

A

E

P

Y

V

Q

R

P

P

N

L

A

E

R

R

L

I

A

R

V

Q

G

H

S

V

C

D

N

A

T

A

S

D

T

D

H

D

G

G

D

G

E

T

V

T

T

S

V

I

E

T

A

A

V

T

V

V

T

K

L

I

D

N

G

G

Q

V

E

E

H

T

K

E

I

I

I

S

G

G

D

S

G

G

N

N

G

G

P

P

L

L

S

A

A

A

F

F

V

V

S

H

A

A

L

L

A

A

E

D

V

V

D

G

V

F

A

D

V

V

E

A

V

V

Q

L

E

D

Y

Y

V

Y

Q

E

H

H

S

A

L

M

S

S

T

A

G

G

S

D

D

D

A

A

K

Q

S

A

A

A

Y

Y

V

V

E

E

C

A

A

S

I

V

G

T

-

I

E

S

R

K

T

T

V

V

W

W

G

G

A

V

G

G

V

I

H

A

S

P

N

S

I

I

T

T

L

T

A

A

T

S

L

L

R

R

A

A

L

V

A

V

S

S

A

A

V

V

N

N

R

R

binding 3-methyl-2-oxobutanoic acid: R63 (= R44), P235 (= P217), T237 (= T219), H268 (= H250), H270 (= H252)
binding zinc ion: D64 (= D45), H268 (= H250), H270 (= H252)

3hpsA Crystal structure of mycobacterium tuberculosis leua complexed with ketoisocaproate (kic)
62% identity, 58% coverage: 10:565/956 of query aligns to 28:573/575 of 3hpsA

query
sites
3hpsA

R

R

Y

Y

R

R

P

P

F

F

H

A

E

E

I

V

R

E

-

P

V

I

H

R

L

L

P

R

D

N

R

R

T

T

W

W

P

P

D

D

R

R

I

V

I

I

D

D

H

R

A

A

P

P

T

L

W

W

C

C

A

A

V

V

D

D

L

L

R
|
R

D
|
D

G

G

N

N

Q

Q

A

A

L

L

I

I

D

D

P

P

M

M

D

S

L

P

E

A

R

R

K

K

K

R

T

R

M

M

F

F

Q

D

T

L

L

L

V

V

D

R

M

M

G

G

Y

Y

K

K

E

E

I

I

E

E

V

V

G

G

F

F

P

P

A

S

A

A

S

S

Q

Q

T

T

D

D

F

F

D

D

F

F

V

V

R

R

A

E

L

I

I

I

E

E

E

Q

E

G

R

A

I

I

P

P

A

D

D

D

V

V

S

T

I

I

Q

Q

V

V

L

L

T

T

Q

Q

C

C

R

R

D

P

H

E

L

L

I

I

K

E

R

R

T

T

F

F

E

Q

S

A

L

C

R

S

G

G

A

A

R

P

Q

R

A

A

I

I

V

V

H
|
H

F

F

Y
|
Y

N

N

S

S

T

T

S

S

I

I

L

L

Q

Q

R

R

K

R

V

V

F

F

Q

R

A

A

D

N

K

R

P

A

S

E

I

V

T

Q

K

A

I

I

A

A

T

T

D

D

G

G

A

A

E

R

L

K

C

C

L

V

K

E

Y

Q

A

A

D

K

I

Y

T

-

P

P

D

G

T

T

D

Q

I

W

R

R

Y

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

Y

Y

A

A

V

K

D

Q

I

V

C

C

N

D

A

A

V

V

A

G

E

E

V

V

I

I

D

A

P

P

S

T

I

P

D

E

R

R

P

P

L

I

I

I

L

F

N

N

L

L

P
|
P

A

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

S

S

I

I

E

E

W

W

F

M

K

S

R

R

H

N

F

L

A

A

R

N

P

R

E

E

A

S

M

V

I

I

L

L

S

S

V

L

H
|
H

P

P

H
|
H

N

N

D

D

R

R

G

G

T

T

G

A

V

V

A

A

E

E

L

L

A

G

V

F

Q

A

A

A

G

G

A

A

D

D

R

R

V

I

E

E

G

G

C

C

L

L

F

F

G

G

N

N

G

G

E

E

R

R

T

T

G

G

N

N

V

V

C

C

L

L

V

V

T

T

L

L

G

G

M

L

N

N

L

L

F

F

T

S

Q

R

G

G

V

V

D

D

P

P

E

Q

I

I

D

D

F

F

G

S

D

N

I

I

D

D

S

E

I

I

R

R

K

T

V

V

E

E

Y

Y

C

C

N

N

R

Q

L

L

P

P

V

V

P

H

E

E

R

R

H

H

P

P

Y

Y

A

G

G

G

D

D

L

L

V

V

F

Y

T

T

A

A

F

F

S

S

G

G

S

S

H

H

Q

Q

D

D

A

A

I

I

K

N

K

K

G

G

L

L

Q

D

A

A

L

M

E

K

S

L

E

D

A

A

D

D

Q

A

A

A

G

D

V

C

A

D

V

V

E

D

Q

D

Y

M

P

L

W

W

A

Q

V

V

P

P

Y

Y

L

L

P

P

V

I

D

D

P

P

K

R

D

D

I

V

G

G

R

R

N

T

Y

Y

E

E

A

A

V

V

I

I

R

-

V

-

N

-

S

-

Q

-

S

-

G

-

K

K

G

G

V

V

S

A

Y

Y

I

I

M

M

H

K

H

T

D

D

Y

H

G

G

F

L

D

S

L

L

P

P

R

R

M

L

Q

Q

I

I

E

E

F

F

S

S

Q

Q

A

V

I

I

Q

Q

K

K

H

I

T

-

D

-

H

-

S

-

G

-

R

-

E

E

V

V

T

S

P

P

E

K

E

E

I

M

H

W

D

D

V

A

F

F

R

A

R

E

E

E

Y

Y

H

L

P

A

E

P

Y

V

Q

R

P

P

N

L

A

E

R

R

L

I

A

R

V

Q

G

H

S

V

C

D

N

A

T

A

S

D

T

D

H

D

G

G

D

G

E

T

V

T

T

S

V

I

E

T

A

A

V

T

V

V

T

K

L

I

D

N

G

G

Q

V

E

E

H

T

K

E

I

I

I

S

G

G

D

S

G

G

N

N

G
|
G

P
|
P

L
|
L

S
x
A

A

A

F

F

V

V

S

H

A

A

L

L

A

A

E

D

V

V

D

G

V

F

A

D

V

V

E

A

V

V

Q

L

E

D

Y

Y

V

Y

Q

E

H

H

S

A

L

M

S

S

T

A

G

G

S
x
D

D

D

A
|
A

K
x
Q

S

A

A

A

Y

Y

V

V

E

E

C

A

A

S

I

V

-

T

-

I

-

A

G

T

E

S

R

K

T

T

V

V

W

W

G

G

A

V

G

G

V

I

H

A

S
x
P

N

S

I
|
I

T

T

L

T

A

A

T

S

L

L

R

R

A

A

L

V

A

V

S

S

A

A

V

V

N

N

R

R

binding 2-oxo-4-methylpentanoic acid: R63 (= R44), H150 (= H131), Y152 (= Y133), P235 (= P217), T237 (= T219), H268 (= H250), H270 (= H252)
binding leucine: G500 (= G495), P501 (= P496), L502 (= L497), A503 (≠ S498), D530 (≠ S525), A532 (= A527), Q533 (≠ K528), P557 (≠ S549), I559 (= I551)
binding zinc ion: D64 (= D45), H268 (= H250), H270 (= H252)

Q9JZG1 2-isopropylmalate synthase; Alpha-IPM synthase; Alpha-isopropylmalate synthase; EC 2.3.3.13 from Neisseria meningitidis serogroup B (strain ATCC BAA-335 / MC58) (see 2 papers)
25% identity, 55% coverage: 43:566/956 of query aligns to 14:502/517 of Q9JZG1

query
sites
Q9JZG1

L

L

R

R

D
|
D

G

G

N

E

Q

Q

A

S

L

P

I

G

D

A

P

A

M

M

D

T

L

K

E

E

R

E

K

K

K

I

T

R

M

V

F

A

Q

R

T

Q

L

L

V

E

D

K

M

L

G

G

Y

V

K

D

E

I

I

I

E

E

V

A

G

G

F

F

P

A

A

A

S

S

Q

P

T

G

D

D

F

F

D

E

F

A

V

V

R

N

A

A

L

I

I

-

E

-

E

A

R

K

I

T

P

I

A

T

D

K

V

S

S

T

I

V

Q

C

V

S

L

L

T

S

Q

R

C

A

R

I

D

E

H

R

L

D

I

I

K

R

R

Q

T

A

F

G

E

E

S

A

L

V

R

A

G

P

A

A

R

P

Q

K

A

K

I

R

V

I

H

H

F

T

Y

F

N

I

S

A

T

T

S

S

I

P

L

I

Q

H

R

M

K

E

V

Y

V

K

F

L

Q

K

A

M

D

K

K

P

P

K

S

Q

I

V

T

I

K

E

I

A

A

A

T

V

D

K

G

A

A

V

E

K

L

I

C

A

L

R

K

E

Y

Y

A

T

A

D

D

D

I

V

T

-

P

-

D

-

T

-

D

-

I

-

R

-

Y

-

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

Y

F

A

L

V

A

D

E

I

I

C

C

N

G

A

A

V

V

A

I

E

E

V

A

I

G

D

A

P

T

S

T

I

I

D

-

R

-

P

-

L

-

I

-

L

-

N

N

L

I

P

P

A

D

T

T

V

V

E

G

M

Y

A

S

T

I

P

P

N

Y

I

-

Y

-

A

-

D

K

S

T

I

E

E

E

W

F

F

F

K

R

R

E

H

L

F

I

A

A

R

K

P

T

-

P

-

N

-

G

E

G

A

K

M

V

I

V

L

W

S

S

V

A

H
|
H

P

C

H
|
H

N

N

D

D

R

L

G

G

T

L

G

A

V

V

A

A

A

N

A

S

E

L

L

A

A

A

V

L

Q

K

A

G

G

G

A

A

D

R

R

Q

V

V

E

E

G

C

C

T

L

V

F

N

G

G

N

L

G

G

E

E

R

R

T

A

G

G

N
|
N

V

A

C

S

L

V

V

E

T

E

L

I

G

V

M

M

N

A

L

L

F

K

T

V

Q

R

-

H

-

D

-

L

-

F

G

G

V

L

D

E

P

T

E

G

I

I

D

D

F

T

G

T

D

Q

I

I

D

V

S

P

I

S

R

S

R

K

K

L

V

V

E

S

Y

T

C

I

N

T

R

G

L

Y

P

P

V

V

P

Q

E

P

R

N

H

K

P

A

Y

I

A

V

G

G

D

A

L

N

V

A

F

F

T

S

A

H

F

E

S

S

G

G

S

I

H

H

Q

Q

D

D

A

G

I

V

K

L

K

K

G

H

L

R

Q

E

A

T

L

Y

E

E

S

I

E

-

A

-

D

-

Q

-

A

-

G

-

V

M

A

S

V

A

E

E

Q

S

Y

V

P

G

W

W

A

A

V

T

P

N

Y

R

L

L

P

S

V

L

D

G

P

-

K

K

D

L

I

S

G

G

R

R

N

N

Y

-

E

-

A

-

V

-

I

-

R

-

V

-

N

-

S

-

Q

-

S

-

G

-

K

-

G

-

V

A

S

F

Y

K

I

T

M

K

H

L

H

A

D

D

Y

L

G

G

F

I

D

E

L

L

P

E

R

S

R

E

M

E

Q

A

I

L

E

N

F

A

S

A

Q

F

A

A

I

R

Q

F

K

K

H

E

T
x
L

D
x
A

H
x
D

S
x
K

G
x
K

R
|
R

E
|
E

V
x
I

T
x
F

P
x
D

E
|
E

E
x
D

I
x
L

H
|
H

D
x
A

V
x
L

F
x
V

R
x
S

R
x
D

E
|
E

Y
x
M

H
x
G

P
x
S

E
x
M

Y
x
N

Q
x
A

P
x
E

N
x
S

A
x
Y

R
x
K

L
x
F

A
x
I

V
x
S

G
x
Q

S
x
K

C
x
I

N
x
S

T
|
T

S
x
E

T
|
T

H

-

G
|
G

D
x
E

E
|
E

V
x
P

T
x
R

V
x
A

E
x
D

A
x
I

V
|
V

V
x
F

T
x
S

L
x
I

D
x
K

G
|
G

Q
x
E

E
|
E

H
x
K

K
x
R

I
x
A

I
x
S

G
x
A

D
x
T

G
|
G

N
x
S

G
|
G

P
|
P

L
x
V

S
x
D

A
|
A

F
x
I

V
x
F

S
x
K

A
|
A

L
x
I

A
x
E

E
x
S

V
|
V

-
x
A

D
x
Q

V
x
S

A
x
G

V
x
A

E
x
A

V
x
L

Q
|
Q

E
x
I

Y
|
Y

V
x
S

Q
x
V

H
x
N

S
x
A

L
x
V

S
x
T

T
x
Q

G
|
G

S
x
T

D
x
E

A
x
S

K
x
Q

S
x
G

A
x
E

A
x
T

Y
x
S

V
|
V

E
x
R

C
x
L

A
|
A

I
x
R

G
|
G

E
x
N

R
|
R

T
x
V

V
|
V

W
x
N

G
|
G

A
x
Q

G
|
G

V
x
A

H
x
D

S
x
T

N
x
D

I
x
V

T
x
L

L
x
V

A
|
A

T
|
T

L
x
A

R
x
K

A
|
A

L
x
Y

A
x
L

S
|
S

A
|
A

V
x
L

N
x
S

R
x
K

V
x
L

D16 (= D45) binding Mn(2+)
H204 (= H250) binding Mn(2+)
H206 (= H252) binding Mn(2+)
N240 (= N286) binding Mn(2+)

Sites not aligning to the query:

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

4ov4A Isopropylmalate synthase binding with ketoisovalerate (see paper)
28% identity, 42% coverage: 41:442/956 of query aligns to 9:374/379 of 4ov4A

query
sites
4ov4A

V

V

D

T

L

L

R
|
R

D
|
D

G

G

N

N

Q
|
Q

A

A

L

L

I

K

D

R

P

P

M

W

D

T

L

I

E

D

R

E

K

K

K

I

T

E

M

V

F

F

Q

D

T

L

L

L

V

V

D

E

M

L

G

N

Y

V

K

D

E

G

I

I

E

E

V

V

G

G

F

F

P

P

A

S

S

N

Q

E

T

T

D

E

F

F

D

H

F

T

V

C

R

Q

A

V

L

L

I

-

E

-

E

S

E

K

R

R

I

A

P

P

A

K

D

G

V

K

S

P

I

I

Q

A

V

A

L

L

T

S

Q

R

C

A

R

N

D

Q

H

N

L

E

I

I

K

A

R

V

T

T

F

W

E

E

S

A

L

I

R

Q

G

K

A

A

-

D

-

C

-

P

R

R

Q

M

A

H

I

I

V

V

H

Y

F

P

Y

V

N

S

S

D

T

F

S

S

I

I

L

-

Q

-

R

K

K

H

V

V

V

L

F

K

Q

I

A

S

D

E

K

K

P

E

S

V

I

L

T

Q

K

K

I

I

A

R

T

N

D

-

G

-

A

-

E

-

L

-

C

S

L

I

K

S

Y

F

A

A

A

R

D

S

I

I

T

V

-

G

P

P

D

G

T

I

D

E

I

I

R

-

Y

-

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

Y

N

A

F

V

A

D

F

I

T

C

K

N

E

A

A

V

F

A

L

E

T

V

A

I

I

D

E

P

A

S

G

I

A

D

N

R

-

P

-

L

-

I

I

L

I

N

N

L

L

P
|
P

A

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

S

M

I

V

E

K

W

E

F

I

K

K

R

D

H

-

F

-

A

V

R

V

P

K

E

D

A

K

M

A

I

I

L

I

S

S

V

I

H
|
H

P

T

H
|
H

N

N

D

D

R

L

G

G

T

M

G

A

V

T

A

A

A

T

A

S

E

V

L

E

A

S

V

V

Q

Y

A

V

G

G

A

A

D

E

R

Q

V

I

E

E

G

V

C

A

L

L

F

N

G

G

N

L

G

G

E

E

R

R

T

A

G

G

N

N

V

T

C

N

L

L

V

Y

T

E

L

T

G

A

M

I

N

A

L

L

F

H

T

Q

Q

N

G

G

V

E

D

N

P

L

E

N

I

I

D

N

F

F

G

Q

D

R

I

I

D

Y

S

P

I

T

R

A

R

K

K

R

V

I

E

S

Y

E

C

L

N

T

R

G

L

I

P

P

V

I

P

G

E

E

R

K

H

T

P

P

Y

I

A

I

G

G

D

E

L

D

V

I

F

F

T

S

A

H

F

R

S

S

G

G

S

I

H

H

Q

Q

D

H

A

Q

I

S

K

K

K

G

G

A

L

-

Q

-

A

-

L

-

E

-

S

-

E

-

A

-

D

-

Q

-

A

-

G

-

V

-

A

-

V

-

E

-

Q

-

Y

-

P

-

W

-

A

-

V

-

P

-

Y

Y

L

R

P

T

V

F

D

S

P

P

K

E

D

F

I

V

G

G

R

R

N

M

Y

D

E

K

A

E

V

T

I

I

R

S

V

F

N

T

S

N

Q

Q

S

S

G

G

K

H

G

K

G

A

V

I

S

E

Y

F

I

L

M

L

H

H

H

Q

D

R

Y

-

G

G

F

I

D

Q

L

V

P

S

R

K

R

E

-

G

M

I

Q

H

I

H

E

L

F

F

S

S

Q

L

A

A

I

K

Q

S

K

I

H

S

T

S

D

R

H

E

S

N

G

N

R

R

E

E

V

I

T

T

P

E

E

A

E

E

I

L

active site: Q16 (= Q48)
binding 3-methyl-2-oxobutanoic acid: R12 (= R44), P174 (= P217), T176 (= T219), H205 (= H250), H207 (= H252)
binding zinc ion: D13 (= D45), H205 (= H250), H207 (= H252)

4ov9A Structure of isopropylmalate synthase binding with alpha- isopropylmalate (see paper)
28% identity, 42% coverage: 41:442/956 of query aligns to 9:376/380 of 4ov9A

query
sites
4ov9A

V

V

D

T

L

L

R
|
R

D
|
D

G

G

N

N

Q
|
Q

A

A

L

L

I

K

D

R

P

P

M

W

D

T

L

I

E

D

R

E

K

K

K

I

T

E

M

V

F

F

Q

D

T

L

L

L

V

V

D

E

M

L

G

N

Y

V

K

D

E

G

I

I

E

E

V

V

G

G

F

F

P

P

A

S

S

N

Q

E

T

T

D

E

F

F

D

H

F

T

V

C

R

Q

A

V

L

L

I

-

E

-

E

S

E

K

R

R

I

A

P

P

A

K

D

G

V

K

S

P

I

I

Q

A

V

A

L
|
L

T

S

Q

R

C

A

R

N

D

Q

H

N

L

E

I

I

K

A

R

V

T

T

F

W

E

E

S

A

L

I

R

Q

G

K

A

A

-

D

-

C

-

P

R

R

Q

M

A

H

I

I

V

V

H

Y

F

P

Y

V

N

S

S

D

T

F

S

S

I

I

L

-

Q

-

R

K

K

H

V

V

V

L

F

K

Q

I

A

S

D

E

K

K

P

E

S

V

I

L

T

Q

K

K

I

I

A

R

T

N

D

-

G

-

A

-

E

-

L

-

C

S

L

I

K

S

Y

F

A

A

A

R

D

S

I

I

T

V

-

G

P

P

D

G

T

I

D

E

I

I

R

-

Y

-

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

Y

N

A

F

V

A

D

F

I

T

C

K

N

E

A

A

V

F

A

L

E

T

V

A

I

I

D

E

P

A

S

G

I

A

D

N

R

-

P

-

L

-

I

I

L

I

N

N

L

L

P

P

A

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

S

M

I

V

E

K

W

E

F

I

K

K

R

D

H

-

F

-

A

V

R

V

P

K

E

D

A

K

M

A

I

I

L

I

S

S

V

I

H
|
H

P

T

H
|
H

N

N

D

D

R

L

G

G

T

M

G

A

V

T

A

A

A

T

A

S

E

V

L

E

A

S

V

V

Q

Y

A

V

G

G

A

A

D

E

R

Q

V

I

E

E

G

V

C

A

L

L

F

N

G

G

N

L

G

G

E

E

R

R

T

A

G

G

N

N

V

T

C

N

L

L

V

Y

T

E

L

T

G

A

M

I

N

A

L

L

F

H

T

Q

Q

N

G

G

V

E

D

N

P

L

E

N

I

I

D

N

F

F

G

Q

D

R

I

I

D

Y

S

P

I

T

R

A

R

K

K

R

V

I

E

S

Y

E

C

L

N

T

R

G

L

I

P

P

V

I

P

G

E

E

R

K

H

T

P

P

Y

I

A

I

G

G

D

E

L

D

V

I

F

F

T

S

A

H

F

R

S

S

G

G

S

I

H

H

Q

Q

D

-

A

-

I

-

K

-

G

-

L

-

Q

-

A

-

L

-

E

-

S

-

E

-

A

-

D

-

Q

-

A

-

G

-

V

-

A

T

V

L

E

H

Q

Q

Y

S

P

K

W

G

A

A

V

-

P

-

Y

Y

L

R

P

T

V

F

D

S

P

P

K

E

D

F

I

V

G

G

R

R

N

M

Y

D

E

K

A

E

V

T

I

I

R

S

V

F

N

T

S

N

Q

Q

S

S

G

G

K

H

G

K

G

A

V

I

S

E

Y

F

I

L

M

L

H

H

H

Q

D

R

Y

-

G

G

F

I

D

Q

L

V

P

S

R

K

R

E

-

G

M

I

Q

H

I

H

E

L

F

F

S

S

Q

L

A

A

I

K

Q

S

K

I

H

S

T

S

D

R

H

E

S

N

G

N

R

R

E

E

V

I

T

T

P

E

E

A

E

E

I

L

active site: Q16 (= Q48)
binding (2S)-2-hydroxy-2-(propan-2-yl)butanedioic acid: R12 (= R44), L73 (= L107), T176 (= T219), H205 (= H250), H207 (= H252)
binding zinc ion: D13 (= D45), H205 (= H250), H207 (= H252)

Q9FG67 Methylthioalkylmalate synthase 1, chloroplastic; 2-isopropylmalate synthase 3; EC 2.3.3.17 from Arabidopsis thaliana (Mouse-ear cress) (see paper)
25% identity, 35% coverage: 27:356/956 of query aligns to 71:404/506 of Q9FG67

query
sites
Q9FG67

W

W

P

P

D

E

R

Y

I

I

I

P

D

N

H

K

A

L

P

P

T

D

W

G

C

N

A

Y

V

V

-

R

-

V

-

F

-

D

-

T

D

T

L

L

R

R

D

D

G

G

N

E

Q

Q

A

S

-

P

-

G

-
x
S

L

L

I

T

D

P

P

P

M

Q

D

K

L

L

E

E

R

I

K

A

K

R

T

Q

M

L

F

A

Q

K

T

L

L

R

V

V

D

D

M

I

G

-

Y

-

K

-

E

-

I

M

E

E

V

V

G

G

F

F

P

P

A

G

A

S

S

S

Q

E

T

E

D

E

F

L

D

E

F

T

V

I

R

K

A

T

L

I

-

A

-

K

-

T

-

V

-

G

-

N

-

E

I

V

E

D

E

E

R

T

-

G

-

Y

I

V

P

P

A

V

D

-

V

-

S

-

I

I

Q

C

V

A

L

I

T

A

Q

R

C

C

R

K

D

H

H

R

L

D

I

I

K

E

R

A

T

T

F

W

E

E

S

A

L

L

R

K

G

Y

A

A

R

K

Q

R

A

P

I

R

V

I

H

L

F

V

Y

F

N

T

S

S

T

T

S

S

I

D

L

I

Q

H

R

M

K

K

V

Y

V

K

F

L

Q

K

A

K

D

T

K

Q

P

E

S

E

I

V

T

I

K

E

I

M

A

A

T

V

D

S

G

S

A

-

E

-

L

-

C

-

L

I

K

R

Y

F

A

A

A

K

D

S

I

L

T

G

P

F

D

N

T

-

D

D

I

I

R

Q

Y

F

E

G

Y

C

S

E

P

D

E

G

S

G

F

R

T

S

G

D

T

K

E

D

L

F

E

-

Y

-

A

-

V

-

D

-

I

L

C

C

N

K

A

I

V

L

A

G

E

E

V

A

I

I

D

K

P

A

S

G

I

V

D

T

R

-

P

-

L

-

I

V

L

V

N

T

L

I

P

G

A

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

S

L

I

V

E

T

W

Y

F

L

K

K

R

A

H

N

F

T

A

P

R

G

P

I

E

D

A

D

M

V

I

V

L

V

S
x
A

V

V

H

H

P

C

H

H

N

N

D

D

R

L

G

G

T

L

G

A

V

T

A

A

A

N

A

S

E

I

L

A

A

G

V

I

Q

R

A

A

G

G

A

A

D

R

R

Q

V

V

E

E

G

V

C

T

L

I

F

N

G

G

N

I

G

G

E

E

R

R

T

S

G

G

N

N

V

A

C

S

L

L

V

E

T

E

L

V

G

V

M

M

N

A

L

L

-

K

-

C

-

R

-

G

-

A

-

Y

F

V

T

I

Q

N

G

G

V

V

D

Y

P

T

E

K

I

I

D

D

F

T

G

R

D

Q

I

I

D

M

S

A

I

T

R

S

R

K

K

M

V

V

E

Q

Y

E

C

Y

N

T

R

G

L

L

P

Y

V

V

P

Q

E

A

R

H

H

K

P

P

Y

I

A

V

G

G

D

A

L

N

V

C

F

F

T

V

A

H

F

E

S

S

G

G

S

I

H

H

Q

Q

D

D

A

G

I

I

K

L

K

K

G

N

L

R

Q

S

A

T

L

Y

E

E

S102 (vs. gap) mutation to F: In gsm1-1; loss of conversion of C3 to C4 glucosinolates.
A290 (≠ S248) mutation to T: In gsm1-2; loss of conversion of C3 to C4 glucosinolates.

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)
27% identity, 37% coverage: 8:356/956 of query aligns to 61:404/503 of Q9FN52

query
sites
Q9FN52

A

A

T

T

R

D

Y

L

R

K

P

P

F

I

H

M

E

E

E

R

-

R

-

P

-

E

-

Y

I

I

R

P

V

N

H

K

L

L

P

P

D

H

R

K

T

N

W

Y

P

V

D

-

R

R

I

V

I

L

D

D

H

T

A

T

P

-

T

-

W

-

C

-

A

-

V

-

D

-

L

L

R

R

D

D

G

G

N

E

Q

Q

-

S

-

P

-

G

-

A

A

A

L

L

I

T

D

P

P

P

M

Q

D

K

L

L

E

E

R

I

K

A

K

R

T

Q

M

L

F

A

Q

K

T

L

L

R

V

V

D

D

M

I

G

-

Y

-

K

-

E

-

I

M

E

E

V

V

G

G

F

F

P

P

A

V

A

S

S

S

Q

E

T

E

D

E

F

F

D

E

F

A

V

I

R

K

A

T

L

I

-

A

-

K

-

T

-

V

-

G

-

N

-

E

I

V

E

D

E

E

R

T

-

G

-

Y

I

V

P

P

A

V

D

I

V

C

S

G

I

I

Q

-

V

-

L

-

T

A

Q

R

C

C

R

K

D

K

H

R

L

D

I

I

K

E

R

A

T

T

F

W

E

E

S

A

L

L

R

K

G

Y

A

A

R

K

Q

R

A

P

I

R

V

V

H

M

F

L

Y

F

N

T

S

S

T

T

S

S

I

E

L

I

Q

H

R

M

K

K

V

Y

V

K

F

L

Q

K

A

K

D

T

K

K

P

E

S

E

I

V

T

I

K

E

I

M

A

A

T

V

D

N

G

S

A

-

E

-

L

-

C

-

L

V

K

K

Y

Y

A

A

A

K

D

S

I

L

T

G

P

F

D

K

T

-

D

D

I

I

R

-

Y

-

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

Y

F

A

-

V

-

D

-

I

I

C

C

N

K

A

I

V

L

A

G

E

E

V

S

I

I

D

K

P

A

S

G

I

-

D

-

R

-

P

A

L

T

I

T

L

V

N

G

L

F

P

A

A

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

S

L

I

V

E

A

W

Y

F

V

K

I

R

E

H

N

F

T

A

P

R

G

P

A

E

D

A

D

M

I

I

V

L

F

S

A

V

I

H

H

P

C

H

H

N

N

D

D

R

L

G

G

T

V

G

A

V

T

A

A

A

N

A

T

E

I

L

S

A

G

V

I

Q

C

A

A

G

G

A

A

D

R

R

Q

V

V

E

E

G

V

C

T

L

I

F

N

G

G

N

I

G

G

E

E

R

R

T

S

G

G

N

N

V

A

C

P

L

L

V

E

T

E

L

V

G

V

M

M

N

A

L

L

-

K

-

C

-

R

-

G

-

E

-

S

F

L

T

M

Q

D

G

G

V

V

D

Y

P

T

E

K

I

I

D

D

F

S

G

R

D

Q

I

I

D

M

S

A

I

T

R

S

R

K

K

M

V

V

E

Q

Y

E

C

H

N

T

R

G

L

M

P

Y

V

V

P

Q

E

P

R

H

H

K

P

P

Y

I

A

V

G

G

D

D

L

N

V

C

F

F

T

V

A

H

F

E

S

S

G

G

S

I

H

H

Q

Q

D

D

A

G

I

I

K

L

K

K

G

N

L

R

Q

S

A

T

L

Y

E

E

G263 (≠ E221) mutation to E: In gsm2-1; loss of activity and lack of C6, C7 and C8 aliphatic glucosinolates.

P0DO78 Methylthioalkylmalate synthase 1-2, chloroplastic; EjMAM1-2; EC 2.3.3.17 from Eutrema japonicum (Wasabi plant) (Eutrema wasabi) (see paper)
27% identity, 35% coverage: 22:356/956 of query aligns to 79:404/503 of P0DO78

query
sites
P0DO78

L

L

P

P

D

D

R

K

T

N

W

Y

P

V

D

-

R

R

I

V

I

F

D

D

H

T

A

T

P

-

T

-

W

-

C

-

A

-

V

-

D

-

L

L

R
|
R

D
|
D

G

G

N

E

Q

Q

A

A

-

P

-

G

-

A

L

L

I

T

D

P

P

P

M

Q

D

K

L

L

E

E

R

I

K

A

K

R

T

K

M

L

F

A

Q

K

T

L

L

R

V

V

D

D

M

V

G

-

Y

-

K

-

E

-

I

M

E

E

V

V

G

G

F

F

P

P

A

G

A

S

S

S

Q

E

T

E

D

E

F

F

D

E

F

T

V

V

R

K

A

T

L

I

-

A

-

K

-

T

-

V

-

G

-

N

-

E

I

V

E

D

E

E

R

T

-

G

-

Y

I

I

P

P

A

V

D

-

V

-

S

-

I

I

Q

C

V

A

L

I

T

A

Q

R

C

S

R

K

D

Q

H

R

L

D

I

I

K

E

R

A

T

A

F

W

E

E

S

A

L

V

R

K

G

Y

A

A

R

K

Q

R

A

P

I

K

V

I

H

L

F

I

Y

F

N

T

S

S

T

T

S

S

I

D

L

I

Q

H

R

M

K

K

V

Y

V

K

F

L

Q

K

A

K

D

T

K

K

P

E

S

E

I

V

T

I

K

E

I

M

A

A

T

T

D

S

G

S

A

-

E

-

L

-

C

-

L

I

K

R

Y

F

A

A

A

K

D

S

I

L

T

G

P

-

D

-

T

-

D

F

I

I

R

D

Y

V

E

Q

Y

L

S

G

P

C

E

E

S

D

F

G

T

G

G

R

T

S

E

E

L

K

E

E

Y

F

A

-

V

-

D

-

I

L

C

C

N

K

A

I

V

L

A

G

E

E

V

A

I

I

D

K

P

A

S

G

I

-

D

-

R

-

P

A

L

T

I

A

L

V

N

N

L

V

P

A

A

D

T

T

V

V

E

G

M

I

A

N

T

M

P

P

N

E

I

E

Y

Y

A

G

D

E

S

L

I

V

E

R

W

Y

F

L

K

K

R

A

H

N

F

T

A

P

R

G

P

I

E

D

A

D

M

I

I

V

L

F

S

S

V

V

H
|
H

P

C

H
|
H

N

N

D

D

R

L

G

G

T

V

G

A

V

T

A

A

A

N

A

T

E

I

L

A

A

G

V

V

Q

C

A

A

G

G

A

A

D

R

R

Q

V

V

E

E

G

V

C

T

L

V

F

N

G

G

N

I

G

G

E

E

R

R

T

S

G

G

N

N

V

A

C

P

L

L

V

E

T

E

L

V

G

V

M

M

N

A

L

L

-

K

-

C

-

R

-

G

-

A

-

Y

F

V

T

M

Q

D

G

G

V

V

D

Y

P

T

E

R

I

I

D

D

F

T

G

R

D

Q

I

I

D

M

S

A

I

T

R

S

R

K

K

M

V

V

E

Q

Y

E

C

Y

N

T

R

G

L

L

P

Y

V

V

P

Q

E

P

R

H

H

K

P

P

Y

I

A

V

G

G

D

A

L

N

V

C

F

F

T

V

A

H

F

E

S

S

G

G

S

V

H
|
H

Q

Q

D

D

A

G

I

I

K

L

K

K

G

N

L

R

Q

S

A

T

L

Y

E

E

R93 (= R44) mutation to A: Lost catalytic activity.
D94 (= D45) mutation to A: Lost catalytic activity.
H292 (= H250) mutation to A: Lost catalytic activity.
H294 (= H252) mutation to A: Lost catalytic activity.
H392 (= H344) mutation to A: Lost catalytic activity.

6e1jA Crystal structure of methylthioalkylmalate synthase (bjumam1.1) from brassica juncea (see paper)
27% identity, 35% coverage: 27:356/956 of query aligns to 4:337/409 of 6e1jA

query
sites
6e1jA

W

W

P

P

D

E

R

Y

I

I

I

P

D

N

H

K

A

L

P

P

T

D

W

K

C

N

A

Y

V

V

-

R

-

V

-

F

-

D

-

T

D

T

L

L

R

R

D
|
D

G

G

N

E

Q
|
Q

-

S

-

P

-

G

-

A

A

A

L

L

I

T

D

P

P

P

M

Q

D

K

L

I

E

E

R

I

K

A

K

R

T

Q

M

L

F

A

Q

K

T

L

L

R

V

V

D

D

M

I

G

-

Y

-

K

-

E

-

I

M

E

E

V

V

G

G

F
|
F

P

P

A

V

A
x
S

S

S

Q

E

T

E

D

E

F

F

D

E

F

T

V

I

R

Q

A

T

L

I

-

A

-

K

-

T

-

V

-

G

-

N

-

E

I
x
V

E

D

E
|
E

E

E

R

T

-

G

-

Y

I

I

P

P

A

V

D

-

V

-

S

-

I

I

Q

C

V

V

L
x
I

T

A

Q
x
R

C

S

R

K

D

E

H

R

L

D

I

I

K

K

R

A

T

A

F

W

E

E

S

S

L

V

R

K

G

Y

A

A

R

K

Q

R

A

P

I

R

V

I

H

V

F

I

Y
x
F

N

T

S

S

T

T

S

S

I

D

L

I

Q

H

R

L

K

K

V

Y

V
x
K

F
x
L

Q

K

A

M

D

T

K

R

P

E

S

E

I

V

T

V

K

D

I

M

A

V

T

A

D

S

G

S

A

-

E

-

L

-

C

-

L

I

K

R

Y

F

A

A

A

K

D

S

I

L

T

G

P

F

D

E

T

-

D

D

I

I

R

-

Y

-

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

Y

Y

A

-

V

-

D

-

I

I

C

C

N

T

A

V

V

F

A

E

E

E

V

A

I

I

D

K

P

A

S

G

I

-

D

-

R

-

P

A

L

T

I

T

L

L

N

A

L

C

P
|
P

A

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

S

L

I

V

E

R

W

Y

F

I

K

K

R

A

H

N

F

T

A

P

R

G

P

I

E

D

A

D

M

V

I

I

L

F

S

S

V

A

H
|
H

P

C

H
|
H

N

N

D

D

R

L

G

G

T

V

G

A

V

T

A

A

A

N

A

T

E

I

L

A

A

G

V

I

Q

C

A

A

G

G

A

A

D

R

R

Q

V

V

E

E

G

V

C

T

L

I

F

N

G

G

N

I

G

G

E

E

R

R

T

S

G

G

N

N

V

A

C

P

L

L

V

E

T

E

L

V

G

V

M

M

N

A

L

L

F

K

T

C

Q

R

-

G

-

A

-

F

-

V

-

M

-

G

G

G

V

V

D

Y

P

T

E

R

I

I

D

D

F

T

G

R

D

Q

I

I

D

M

S

A

I

T

R

S

R

K

K

M

V

V

E

Q

Y

E

C

Y

N

T

R

G

L

L

P

Y

V

V

P

Q

E

P

R

H

H

K

P

P

Y

I

A

V

G

G

D

A

L

N

V

C

F

F

T

V

A

H

F

E

S
|
S

G
|
G

S
x
I

H

H

Q

Q

D
|
D

A

G

I

I

K

L

K
|
K

G

N

L

R

Q

S

A

T

L

Y

E

E

binding coenzyme a: Q30 (= Q48), F60 (= F78), S63 (≠ A81), I95 (≠ L107), R97 (≠ Q109), F121 (≠ Y133), K132 (≠ V144), L133 (≠ F145), S322 (= S341), G323 (= G342), I324 (≠ S343), D327 (= D346), K331 (= K350)
binding 4-(methylsulfanyl)-2-oxobutanoic acid: P192 (= P217), T194 (= T219), H225 (= H250), H227 (= H252)
binding manganese (ii) ion: D27 (= D45), V82 (≠ I93), E84 (= E95), H225 (= H250), H227 (= H252)

Sites not aligning to the query:

binding coenzyme a: 359, 362, 363

3rmjB Crystal structure of truncated alpha-isopropylmalate synthase from neisseria meningitidis (see paper)
26% identity, 31% coverage: 43:338/956 of query aligns to 11:293/308 of 3rmjB

query
sites
3rmjB

L

L

R

R

D
|
D

G

G

N

E

Q
|
Q

A

S

L

P

I

G

D

A

P

A

M

M

D

T

L

K

E

E

R

E

K

K

K

I

T

R

M

V

F

A

Q

R

T

Q

L

L

V

E

D

K

M

L

G

G

Y

V

K

D

E

I

I

I

E

E

V

A

G

G

F

F

P

A

A

A

S

S

Q

P

T

G

D

D

F

F

D

E

F

A

V

V

R

N

A

A

L

I

I

-

E

-

E

A

R

K

I

T

P

I

A

T

D

K

V

S

S

T

I

V

Q

C

V

S

L

L

T

S

Q

R

C

A

R

I

D

E

H

R

L

D

I

I

K

R

R

Q

T

A

F

G

E

E

S

A

L

V

R

A

G

P

A

A

R

P

Q

K

A

K

I

R

V

I

H

H

F

T

Y

F

N

I

S

A

T

T

S

S

I

P

L

I

Q

H

R

M

K

E

V

Y

V

K

F

L

Q

K

A

M

D

K

K

P

P

K

S

Q

I

V

T

I

K

E

I

A

A

A

T

V

D

K

G

A

A

V

E

K

L

I

C

A

L

R

K

E

Y

Y

A

T

A

D

D

D

I

V

T

-

P

-

D

-

T

-

D

-

I

-

R

-

Y

-

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

Y

F

A

L

V

A

D

E

I

I

C

C

N

G

A

A

V

V

A

I

E

E

V

A

I

G

D

A

P

T

S

T

I

I

D

-

R

-

P

-

L

-

I

-

L

-

N

N

L

I

P

P

A

D

T

T

V

V

E

G

M

Y

A

S

T

I

P

P

N

Y

I

-

Y

-

A

-

D

K

S

T

I

E

E

E

W

F

F

F

K

R

R

E

H

L

F

I

A

A

R

K

P

T

-

P

-

N

-

G

E

G

A

K

M

V

I

V

L

W

S

S

V

A

H
|
H

P

C

H
|
H

N

N

D

D

R

L

G

G

T

L

G

A

V

V

A

A

A

N

A

S

E

L

L

A

A

A

V

L

Q

K

A

G

G

G

A

A

D

R

R

Q

V

V

E

E

G

C

C

T

L

V

F

N

G

G

N

L

G

G

E

E

R

R

T

A

G

G

N
|
N

V

A

C

S

L

V

V

E

T

E

L

I

G

V

M

M

N

A

L

L

F

K

T

V

Q

R

-

H

-

D

-

L

-

F

G

G

V

L

D

E

P

T

E

G

I

I

D

D

F

T

G

T

D

Q

I

I

D

V

S

P

I

S

R

S

R

K

K

L

V

V

E

S

Y

T

C

I

N

T

R

G

L

Y

P

P

V

V

P

Q

E

P

R

N

H

K

P

A

Y

I

A

V

G

G

D

A

L

N

V

A

F

F

T

S

active site: Q16 (= Q48)
binding manganese (ii) ion: D13 (= D45), H201 (= H250), H203 (= H252), N237 (= N286)

O87198 Homocitrate synthase; HCS; EC 2.3.3.14 from Thermus thermophilus (strain ATCC BAA-163 / DSM 7039 / HB27) (see paper)
25% identity, 33% coverage: 38:356/956 of query aligns to 4:304/376 of O87198

query
sites
O87198

W

W

C

K

A

I

V

I

D

D

-

S

-

T

L

L

R
|
R

D
x
E

G

G

N

E

Q

Q

A

F

L

E

I

K

D

A

P

N

M

F

D

S

L

T

E

Q

R

D

K

K

K

V

T

E

M

I

F

A

Q

K

T

A

L

L

V

D

D

E

M

F

G

G

Y

I

K

E

E

Y

I

I

E

E

V

V

G

T

F

T

P

P

A

V

A

A

S

S

-

P

-

Q

-

S

Q

R

T

K

D

D

F

A

D

E

F

V

V

L

R

A

A

S

L

L

I

G

E

L

E

K

E

A

R

K

I

V

P

V

A

T

D
x
H

V

I

S

-

I

-

Q

-

V

-

L

-

T

-

Q

Q

C

C

R

R

D

L

H

D

L

A

I

A

K

K

R

V

T

A

F

V

E

E

S

T

L

-

R

-

G

-

A

G

R

V

Q

Q

A

G

I

I

V
x
D

H

L

F

L

Y

F

N

G

S

T

T

S

S

K

I

Y

L

L

Q

-

R

-

K

R

V

A

F

H

Q

G

A

R

D

D

K

I

P

P

S

R

I

I

T

I

K

E

I

E

A

A

T

K

D

E

G

-

A

-

E

-

L

-

C

V

L

I

K

A

Y

Y

A

I

A

R

D

E

I

A

T

A

P

P

D

H

T

V

D

E

I

V

R
|
R

Y

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

Y

-

A

-

V

-

D

-

I

-

C

L

N

L

A

A

V

V

A

Y

E

E

V

A

I

V

D

A

P

P

S

Y

I

V

D

D

R

R

P

-

L

-

I

-

L

V

N

G

L

L

P

A

A

D

T
|
T

V

V

E

G

M

V

A

A

T

T

P

P

-

R

N

Q

I

V

Y

Y

A

A

D

L

S

V

I

R

E

E

W

V

F

-

K

-

R

R

H

R

F

V

A

V

R

G

P

P

E

R

A

V

M

D

I

I

L

-

S

E

V

F

H
|
H

P

G

H
|
H

N

N

D

D

R

T

G

G

T

C

G

A

V

I

A

A

A

N

A

A

E

Y

L

E

A

A

V

I

Q

E

A

A

G

G

A

A

D

T

R

H

V

V

E

D

G

T

C

T

L

I

F

L

G

G

N

I

G

G

E

E

R

R

T

N

G

G

N

I

V

T

C

P

L

L

V

G

T

G

L

F

G

L

M

A

N

R

L

M

F

Y

T

T

-

L

-

Q

-

P

Q

E

G

Y

V

V

D

R

P

R

E

K

I

Y

D

K

F

L

G

E

D

M

I

L

D

P

S

E

I

L

R

D

R

R

K

M

V

V

E

A

Y

R

C

M

N

V

R

G

L

V

P

E

V

I

P

P

E

F

R

N

H

N

P

Y

Y

I

A

T

G

G

D

E

L

T

V

A

F

F

T

S

A

H

F

K

S

A

G

G

S

M

H

H

Q

L

D

K

A

A

I

I

K

Y

K

I

G

N

L

P

Q

E

A

A

L

Y

E

E

R12 (= R44) binding 2-oxoglutarate
E13 (≠ D45) binding Mg(2+)
H72 (≠ D101) 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 (≠ V130) binding L-lysine
R133 (= R177) binding 2-oxoglutarate
S135 (≠ E179) binding L-lysine
T166 (= T219) binding 2-oxoglutarate; binding L-lysine
H195 (= H250) binding Mg(2+)
H197 (= H252) binding Mg(2+)

6ktqA Crystal structure of catalytic domain of homocitrate synthase from sulfolobus acidocaldarius (sahcs(dram)) in complex with alpha- ketoglutarate/zn2+/coa (see paper)
23% identity, 38% coverage: 43:402/956 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

A

T

L

P

I

G

D

V

P

V

M

F

D

T

L

T

E

D

R

Q

K

R

K

V

T

E

M

I

F

A

Q

K

T

A

L

L

V

S

D

D

M

I

G

G

Y

V

K

Q

E

M

I

I

E

E

V

A

G

G

F

H

P

P

A

A

A
x
V

S

S

Q

P

T

D

D

I

F

Y

D

E

F

G

V

I

R

R

A

R

L

I

I

I

E

K

E

L

E

K

R

R

I

-

P

E

A

G

D

V

V

I

S

K

I

S

Q

E

V

I

L

V

T

A

Q

H

C

S

R
|
R

D

-

H

-

L
x
A

I

V

K

K

R

R

T

D

F

I

E

E

-

V

-

G

-

A

S

E

L

I

R

E

G

A

A

D

R

R

Q

I

A

A

I

I

V
x
F

H

Y

F

G

Y

I

N

S

S

D

T

T

S

H

I

L

L

K

Q

A

R

K

K
x
H

V

-

F

-

Q

-

A

-

D

-

K

-

P

-

S

-

I

-

T

-

K

H

I

T

A

T

T

R

D

D

G

E

A

A

E

L

L

R

C

S

L

I

K

A

Y

E

A

T

A

V

D

S

I

Y

T

A

P

K

D

S

T

H

D

G

I

V

R

K

Y

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

Y

Y

A

L

V

L

D

E

I

V

C

I

N

K

A

T

V

V

A

R

E

-

V

-

I

-

D

D

P

A

S

G

I

A

D

D

R

R

P

-

L

-

I

-

L

V

N
x
S

L

I

P

A

A

D

T
|
T

V

V

E

G

M

V

A

L

T

Y

P

P

N

S

I

-

Y

-

A

-

D

R

S

T

I

R

E

E

W

L

F

F

K

K

R

D

H

L

F

T

A

S

R

R

P

F

E

P

A

D

M

I

I

E

L

F

S

D

V

I

H
|
H

P

A

H
|
H

N

N

D

D

R

L

G

G

T

M

G

A

V

V

A

A

A

N

A

V

E

L

L

A

A

A

V

A

Q

E

A

G

G

G

A

A

D

T

R

I

V

I

E

H

G

T

C

T

L

L

F

N

G

G

N

L

G

G

E

E

R

R

T

V

G

G

N

I

V

A

C

P

L

L

V

Q

T

V

L

V

G

A

M

A

N

A

L

L

-

K

F

Y

T

H

Q

F

G

G

V

I

D

E

P

V

E

-

I

V

D

D

F

L

G

K

D

K

I

L

D

S

S

E

I

V

R

A

R

S

K

L

V

V

E

E

Y

K

C

Y

N

S

R

G

L

I

P

A

V

L

P

P

E

P

R

N

H

F

P

P

Y

I

A

T

G

G

D

D

L

Y

V

A

F

F

T

V

A

H

F

K

S

A

G

G

S

V

H

H

Q

-

D

-

A

-

I

-

K

-

G

-

L

-

Q

-

A

-

L

-

E

-

S

-

E

-

A

-

D

-

Q

V

A

A

G

G

V

V

A

L

V

N

E

D

Q

-

Y

-

P

P

W

K

A

T

V

Y

P

E

Y

F

L

L

P

P

V

-

D

-

P

P

K

E

D

T

I

F

G

G

R

R

N

S

Y

R

E

D

A

Y

V

V

I

I

R

-

V

-

N

D

S

K

Q

Y

S

T

G

G

K

K

G

H

G

A

V

V

binding 2-oxoglutaric acid: R30 (= R44), R154 (≠ E179), T156 (≠ S181), E158 (= E183), S184 (≠ N215), T188 (= T219), H216 (= H250), H218 (= H252)
binding coenzyme a: V67 (≠ A81), R96 (= R111), A97 (≠ L114), F116 (≠ V130), H128 (≠ K142), E158 (= E183)
binding zinc ion: E31 (≠ D45), H216 (= H250), H218 (= H252)

3a9iA Crystal structure of homocitrate synthase from thermus thermophilus complexed with lys (see paper)
25% identity, 33% coverage: 38:356/956 of query aligns to 3:297/347 of 3a9iA

query
sites
3a9iA

W

W

C

K

A

I

V

I

D

D

-

S

-

T

L

L

R
|
R

D
x
E

G

G

N

E

Q

Q

A

F

L

E

I

K

D

A

P

N

M

F

D

S

L

T

E

Q

R

D

K

K

K

V

T

E

M

I

F

A

Q

K

T

A

L

L

V

D

D

E

M

F

G

G

Y

I

K

E

E

Y

I

I

E

E

V

V

G

T

F

T

P

P

A

V

A

A

S

S

-

P

-

Q

-

S

Q

R

T

K

D

D

F

A

D

E

F

V

V

L

R

A

A

S

L

L

I

G

E

L

E

K

E

A

R

K

I

V

P

V

A

T

D

H

V

I

S

-

I

-

Q

-

V

-

L

-

T

-

Q

Q

C

C

R

R

D

L

H

D

L

A

I

A

K

K

R

V

T

A

F

V

E

E

S

T

L

-

R

-

G

-

A

G

R

V

Q

Q

A

G

I

I

V
x
D

H

L

F

L

Y

F

N

G

S

T

T

S

S

K

I

Y

L

L

Q

-

R

-

K

-

V

-

F

-

Q

-

A

-

D

D

K

I

P

P

S

R

I

I

T

I

K

E

I

E

A

A

T

K

D

E

G

-

A

-

E

-

L

-

C

V

L

I

K

A

Y

Y

A

I

A

R

D

E

I

A

T

A

P

P

D

H

T

V

D

E

I

V

R

R

Y

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

Y

-

A

-

V

-

D

-

I

-

C

L

N

L

A

A

V

V

A

Y

E

E

V

A

I

V

D

A

P

P

S

Y

I

V

D

D

R

R

P

-

L

-

I

-

L

V

N

G

L

L

P

A

A

D

T
|
T

V

V

E

G

M

V

A

A

T

T

P

P

-

R

N

Q

I

V

Y

Y

A

A

D

L

S

V

I

R

E

E

W

-

F

-

K

V

R

R

H

R

F

V

A

V

R

G

P

P

E

R

A

V

M

D

I

I

L

-

S

E

V

F

H
|
H

P

G

H
|
H

N

N

D

D

R

T

G

G

T

C

G

A

V

I

A

A

A

N

A

A

E

Y

L

E

A

A

V

I

Q

E

A

A

G

G

A

A

D

T

R

H

V

V

E

D

G

T

C

T

L

I

F

L

G

G

N

I

G

G

E

E

R

R

T

N

G

G

N

I

V

T

C

P

L

L

V

G

T

G

L

F

G

L

M

A

N

R

L

M

F

Y

T

T

-

L

-

Q

-

P

Q

E

G

Y

V

V

D

R

P

R

E

K

I

Y

D

K

F

L

G

E

D

M

I

L

D

P

S

E

I

L

R

D

R

R

K

M

V

V

E

A

Y

R

C

M

N

V

R

G

L

V

P

E

V

I

P

P

E

F

R

N

H

N

P

Y

Y

I

A

T

G

G

D

E

L

T

V

A

F

F

T

S

A

H

F

K

S

A

G

G

S

M

H

H

Q

L

D

K

A

A

I

I

K

Y

K

I

G

N

L

P

Q

E

A

A

L

Y

E

E

binding cobalt (ii) ion: E12 (≠ D45), H188 (= H250), H190 (= H252)
binding lysine: R11 (= R44), D91 (≠ V130), S128 (≠ E179), T159 (= T219), H188 (= H250), H190 (= H252)

Q8F3Q1 (R)-citramalate synthase CimA; LiCMS; EC 2.3.3.21 from Leptospira interrogans serogroup Icterohaemorrhagiae serovar Lai (strain 56601) (see 2 papers)
25% identity, 33% coverage: 250:567/956 of query aligns to 207:511/516 of Q8F3Q1

query
sites
Q8F3Q1

H

H

P

G

H

H

N

N

D

D

R

Y

G

D

T

L

G

S

V

V

A

A

A

N

A

S

E

L

L

Q

A

A

V

I

Q

R

A

A

G

G

A

V

D

K

R

G

V

L

E

H

G

A

C

S

L

I

F

N

G

G

N

L

G

G

E

E

R

R

T

A

G

G

N

N

V

T

C

P

L

L

V

E

T

A

L

L

G

V

M

T

N

T

L

I

F

H

T

D

Q

K

-

S

G

N

V

S

D

K

P

T

E

N

I

I

D

N

F

E

G

I

D

A

I

I

D

T

S

E

I

A

R

S

R

R

K

L

V

V

E

E

Y

V

C

F

N

S

R

G

L

K

P

R

V

I

P

S

E

A

R

N

H

R

P

P

Y

I

A

V

G

G

D

E

L

D

V

V

F

F

T

T

A

Q

F

T

S

A

G

G

S

V

H
|
H

Q

A

D
|
D

A

G

I

D

K

K

G

G

L

-

Q

-

A

-

L

-

E

-

S

-

E

-

A

-

D

-

Q

-

A

-

G

-

V

-

A

-

V

-

E

-

Q

-

Y
x
N

P
x
L

W
x
Y

A

A

V

N

P

P

Y

I

L

L

P

-

V

-

D

-

P

P

K

E

D

R

I

F

G

G

R

R

N

K

Y

R

E

S

A

Y

V

A

I

L

R

-

V

-

N

G

S

K

Q

L

S

A

G

G

K

K

G

A

G

S

V

I

S

S

Y

E

I

N

M

V

H

K

H

Q

D

-

Y

L

G

G

F

M

D

V

L

L

P

S

R

E

R

V

M

V

Q

L

I

Q

E

K

F

V

S

L

Q

E

A

R

I

V

Q

I

K

E

H

L

T

G

D

D

H

Q

S

N

G

-

R

K

E

L

V

V

T

T

P

P

E

E

E

D

-

L

-

P

-

F

-

I

I

I

H

A

D

D

V

V

F

S

R

G

R

R

E

-

Y

-

H

-

P

-

E

-

Y

-

Q

T

P

G

N

E

A

K

R

V

L

L

A

T

V

I

G

K

S

S

C

C

N

N

T

I

S

H

T

S

H

-

G

G

D

I

E

G

V

I

T

R

V

P

E

H

A

A

V

Q

V

I

T

E

L

L

D

E

-

Y

-

Q

G

G

Q

K

E

I

H

H

K

K

I

E

I

I

G

S

D

E

G

G

N

D

G

G

P

G

L
x
Y

S
x
D

A

A

F

F

V

M

S

N

A

A

L

L

A

T

E

K

V

I

D

T

-

N

-

R

V

L

A

G

V

I

E

S

V

I

Q

P

E

K

Y
x
L

V

I

Q

D

H
x
Y

S

E

L

V

S

R

T
x
I

G

P

S

P

D

G

A

G

K

K

S
x
T

A

D

A

A

Y

L

V
|
V

E

E

C

T

A

R

I

I

G

T

-

W

-

N

-

K

-

S

-

L

-

D

-

L

-

E

E

D

R

Q

T

T

V

F

W

K

G

T

A

M

G

G

V

V

H

H

S
x
P

N

D

I
x
Q

T

T

L

V

A

A

T

A

L

V

R

H

A

A

L

T

A

E

S

K

A

M

V

L

N

N

R

Q

V

I

L

L

H302 (= H344) mutation H->A,N: Loss of activity.
D304 (= D346) mutation to A: 5.2-fold increase in Km for acetyl-CoA and 16.6-fold decrease in kcat.
N310 (≠ Y369) mutation to A: 2.2-fold increase in Km for acetyl-CoA and 1.7-fold decrease in kcat.
L311 (≠ P370) mutation to A: 8-fold increase in Km for acetyl-CoA and 6-fold decrease in kcat.
Y312 (≠ W371) mutation to A: Loss of activity.
Y430 (≠ L497) mutation to L: No change in Km for acetyl-CoA and 2.3-fold decrease in kcat. Severely impairs inhibition by isoleucine.
D431 (≠ S498) mutation to A: 1.8-fold decrease in Km for acetyl-CoA and 5-fold decrease in kcat.
L451 (≠ Y516) mutation to V: 1.5-fold increase in Km for acetyl-CoA and 4.3 decrease in kcat.
Y454 (≠ H519) mutation to A: 1.4 decrease in Km for acetyl-CoA and 17-fold decrease in kcat. Still inhibited by isoleucine and weakly inhibited by leucine.
I458 (≠ T523) mutation to A: 1.3-fold decrease in Km for acetyl-CoA and 14-fold decrease in kcat. Abolishes inhibition by isoleucine.
T464 (≠ S529) mutation to A: 1.8-fold decrease in Km for acetyl-CoA and 4.3-fold decrease in kcat.
V468 (= V533) mutation to A: No change in Km for acetyl-CoA and 2-fold decrease in kcat. Increases inhibition by isoleucine and leucine becomes an effective inhibitor.
P493 (≠ S549) mutation to A: 1.5-fold decrease in Km for acetyl-CoA and 2.6-fold decrease in kcat.
Q495 (≠ I551) mutation to A: 1.6-fold decrease in Km for acetyl-CoA and 2.8-fold decrease in kcat.

Sites not aligning to the query:

16 mutation R->K,Q: Loss of activity.
16:17 binding pyruvate
17 D→A: 34-fold increase in Km for pyruvate and 315-fold decrease in kcat.; D→N: 4.4-fold increase in Km for pyruvate and 480-fold decrease in kcat.
81 L→A: 4.7-fold increase in Km for pyruvate and 15.7-fold decrease in kcat.; L→V: 3.3-fold increase in Km for pyruvate and 10.1-fold decrease in kcat.
83 F→A: 5-fold increase in Km for acetyl-CoA and 120-fold decrease in kcat.
104 L→V: 1.8-fold increase in Km for pyruvate and 3.4-fold decrease in kcat.
144 binding pyruvate; Y→L: 259-fold increase in Km for pyruvate and 76-fold decrease in kcat.; Y→V: 114-fold increase in Km for pyruvate and 5.3-fold decrease in kcat.
146 mutation E->D,Q: Minor effects on the binding of acetyl-CoA, but causes a strong decrease in kcat.
179 binding pyruvate; T→A: 16.4-fold increase in Km for pyruvate and 186-fold decrease in kcat.

2zyfA Crystal structure of homocitrate synthase from thermus thermophilus complexed with magnesuim ion and alpha-ketoglutarate (see paper)
25% identity, 33% coverage: 38:356/956 of query aligns to 4:298/314 of 2zyfA

query
sites
2zyfA

W

W

C

K

A

I

V

I

D

D

-

S

-

T

L

L

R
|
R

D
x
E

G

G

N

E

Q
|
Q

A

F

L

E

I

K

D

A

P

N

M

F

D

S

L

T

E

Q

R

D

K

K

K

V

T

E

M

I

F

A

Q

K

T

A

L

L

V

D

D

E

M

F

G

G

Y

I

K

E

E

Y

I

I

E

E

V

V

G

T

F

T

P

P

A

V

A

A

S

S

-

P

-

Q

-

S

Q

R

T

K

D

D

F

A

D

E

F

V

V

L

R

A

A

S

L

L

I

G

E

L

E

K

E

A

R

K

I

V

P

V

A

T

D
x
H

V

I

S

-

I

-

Q

-

V

-

L

-

T

-

Q

Q

C

C

R

R

D

-

H

-

L

-

I

-

K

-

R

-

T

-

F

-

E

-

S

-

L

L

R

D

G

A

A

A

R

K

Q

V

A

A

I

V

V

-

H

-

F

-

Y

-

N

-

S

E

T

T

S

G

I

V

L

Q

Q

G

R

I

K

D

V

L

V
x
L

F

F

Q

G

A

T

D

S

K

K

P

G

-

R

S

D

I

I

T

P

K

R

I

I

A

I

T

E

D

E

G

A

A

K

E

E

L

V

C

-

L

I

K

A

Y

Y

A

I

A

R

D

E

I

A

T

A

P

P

D

H

T

V

D

E

I

V

R
|
R

Y

F

E

S

Y

-

S

A

P

E

E

D

S

T

F

F

T

R

G

S

T

E

E

E

L

Q

E

D

Y

L

A

L

V

-

D

-

I

-

C

-

N

-

A

A

V

V

A

Y

E

E

V

A

I

V

D

A

P

P

S

Y

I

V

D

D

R

R

P

-

L

-

I

-

L

V

N

G

L

L

P

A

A

D

T
|
T

V

V

E

G

M

V

A

A

T

T

P

P

-

R

N

Q

I

V

Y

Y

A

A

D

L

S

V

I

R

E

E

W

V

F

-

K

-

R

R

H

R

F

V

A

V

R

G

P

P

E

R

A

V

M

D

I

I

L

-

S

E

V

F

H
|
H

P

G

H
|
H

N

N

D

D

R

T

G

G

T

C

G

A

V

I

A

A

A

N

A

A

E

Y

L

E

A

A

V

I

Q

E

A

A

G

G

A

A

D

T

R

H

V

V

E

D

G

T

C

T

L

I

F

L

G

G

N

I

G

G

E

E

R

R

T

N

G

G

N

I

V

T

C

P

L

L

V

G

T

G

L

F

G

L

M

A

N

R

L

M

F

Y

T

T

-

L

-

Q

-

P

Q

E

G

Y

V

V

D

R

P

R

E

K

I

Y

D

K

F

L

G

E

D

M

I

L

D

P

S

E

I

L

R

D

R

R

K

M

V

V

E

A

Y

R

C

M

N

V

R

G

L

V

P

E

V

I

P

P

E

F

R

N

H

N

P

Y

Y

I

A

T

G

G

D

E

L

T

V

A

F

F

T

S

A

H

F

K

S

A

G

G

S

M

H

H

Q

L

D

K

A

A

I

I

K

Y

K

I

G

N

L

P

Q

E

A

A

L

Y

E

E

active site: Q16 (= Q48)
binding 2-oxoglutaric acid: R12 (= R44), H72 (≠ D101), L94 (≠ V144), R127 (= R177), T160 (= T219), H189 (= H250)
binding magnesium ion: E13 (≠ D45), H189 (= H250), H191 (= H252)

2ztjA Crystal structure of homocitrate synthase from thermus thermophilus complexed with alpha-ketoglutarate (see paper)
25% identity, 33% coverage: 38:356/956 of query aligns to 4:296/312 of 2ztjA

query
sites
2ztjA

W

W

C

K

A

I

V

I

D

D

-

S

-

T

L

L

R
|
R

D
x
E

G

G

N

E

Q
|
Q

A

F

L

E

I

K

D

A

P

N

M

F

D

S

L

T

E

Q

R

D

K

K

K

V

T

E

M

I

F

A

Q

K

T

A

L

L

V

D

D

E

M

F

G

G

Y

I

K

E

E

Y

I

I

E

E

V

V

G

T

F

T

P

P

A

V

A

A

S

S

-

P

-

Q

-

S

Q

R

T

K

D

D

F

A

D

E

F

V

V

L

R

A

A

S

L

L

I

G

E

L

E

K

E

A

R

K

I

V

P

V

A

T

D
x
H

V

I

S

-

I

-

Q

-

V

-

L

-

T

-

Q

Q

C

C

R

R

D

-

H

-

L

-

I

-

K

-

R

-

T

-

F

-

E

-

S

-

L

L

R

D

G

A

A

A

R

K

Q

V

A

A

I

V

V

-

H

-

F

-

Y

-

N

-

S

E

T

T

S

G

I

V

L

Q

Q

G

R

I

K

D

V

L

V
x
L

F

F

Q

G

A

T

D

G

K

R

P

-

S

D

I

I

T

P

K

R

I

I

A

I

T

E

D

E

G

A

A

K

E

E

L

V

C

-

L

I

K

A

Y

Y

A

I

A

R

D

E

I

A

T

A

P

P

D

H

T

V

D

E

I

V

R
|
R

Y

F

E

S

Y

-

S

A

P

E

E

D

S

T

F

F

T

R

G

S

T

E

E

E

L

Q

E

D

Y

L

A

L

V

-

D

-

I

-

C

-

N

-

A

A

V

V

A

Y

E

E

V

A

I

V

D

A

P

P

S

Y

I

V

D

D

R

R

P

-

L

-

I

-

L

V

N

G

L

L

P
x
A

A

D

T
|
T

V

V

E

G

M

V

A

A

T

T

P

P

-

R

N

Q

I

V

Y

Y

A

A

D

L

S

V

I

R

E

E

W

V

F

-

K

-

R

R

H

R

F

V

A

V

R

G

P

P

E

R

A

V

M

D

I

I

L

-

S

E

V

F

H
|
H

P

G

H
|
H

N

N

D

D

R

T

G

G

T

C

G

A

V

I

A

A

A

N

A

A

E

Y

L

E

A

A

V

I

Q

E

A

A

G

G

A

A

D

T

R

H

V

V

E

D

G

T

C

T

L

I

F

L

G

G

N

I

G

G

E

E

R

R

T

N

G

G

N

I

V

T

C

P

L

L

V

G

T

G

L

F

G

L

M

A

N

R

L

M

F

Y

T

T

-

L

-

Q

-

P

Q

E

G

Y

V

V

D

R

P

R

E

K

I

Y

D

K

F

L

G

E

D

M

I

L

D

P

S

E

I

L

R

D

R

R

K

M

V

V

E

A

Y

R

C

M

N

V

R

G

L

V

P

E

V

I

P

P

E

F

R

N

H

N

P

Y

Y

I

A

T

G

G

D

E

L

T

V

A

F

F

T

S

A

H

F

K

S

A

G

G

S

M

H

H

Q

L

D

K

A

A

I

I

K

Y

K

I

G

N

L

P

Q

E

A

A

L

Y

E

E

active site: Q16 (= Q48)
binding 2-oxoglutaric acid: R12 (= R44), H72 (≠ D101), L94 (≠ V144), R125 (= R177), A156 (≠ P217), T158 (= T219), H187 (= H250), H189 (= H252)
binding copper (ii) ion: E13 (≠ D45), H187 (= H250), H189 (= H252)

Query Sequence

>WP_025273525.1 NCBI__GCF_000527155.1:WP_025273525.1
MTDFRQRATRYRPFHEEIRVHLPDRTWPDRIIDHAPTWCAVDLRDGNQALIDPMDLERKK
TMFQTLVDMGYKEIEVGFPAASQTDFDFVRALIEEERIPADVSIQVLTQCRDHLIKRTFE
SLRGARQAIVHFYNSTSILQRKVVFQADKPSITKIATDGAELCLKYAADITPDTDIRYEY
SPESFTGTELEYAVDICNAVAEVIDPSIDRPLILNLPATVEMATPNIYADSIEWFKRHFA
RPEAMILSVHPHNDRGTGVAAAELAVQAGADRVEGCLFGNGERTGNVCLVTLGMNLFTQG
VDPEIDFGDIDSIRRKVEYCNRLPVPERHPYAGDLVFTAFSGSHQDAIKKGLQALESEAD
QAGVAVEQYPWAVPYLPVDPKDIGRNYEAVIRVNSQSGKGGVSYIMHHDYGFDLPRRMQI
EFSQAIQKHTDHSGREVTPEEIHDVFRREYHPEYQPNARLAVGSCNTSTHGDEVTVEAVV
TLDGQEHKIIGDGNGPLSAFVSALAEVDVAVEVQEYVQHSLSTGSDAKSAAYVECAIGER
TVWGAGVHSNITLATLRALASAVNRVLGSLAGRRRSRRLPFVSGPAGLIDLLQPVETVAR
DVEIPGQEDPVQQTHEDPAAEQIGEHRPSENADFEVQPGHTPHRDRCAPGTRGIAGDVER
TPHQDDSTRQNRRTGHGQRTAPQLPTGNEIPNEGHDFQDEPNDQHASCSRHGHFLQRASN
GFAFSMAQRLPRHERFNPPKRSFSQPYRLKEHRQTGPQEGRTPSRAALTTHVPRKGLRSA
DELSRVGSRGRTLSQFVRPLQRQWQIVFQSKVHLSPFGGHKAAVEAQPGVSRAVGDNVPP
FRGGRPLNKQKTKHGRLDVLTPVGARQALNLRTQNLTELHTVEPGLLIVLPKCLLGNGLS
RVDSPARYLNAGLGNVNVTEGQHLPRVKSGPTEHIGHHPLANTHPSIIHNSSVLRT

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