SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_089303133.1 NCBI__GCF_900188115.1:WP_089303133.1 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)

A0R079 Glutamine synthetase; GS; Glutamate--ammonia ligase; Glutamine synthetase I beta; GSI beta; EC 6.3.1.2 from Mycolicibacterium smegmatis (strain ATCC 700084 / mc(2)155) (Mycobacterium smegmatis) (see paper)
74% identity, 100% coverage: 3:430/430 of query aligns to 4:434/478 of A0R079

query
sites
A0R079

K

K

S

T

P

S

E

D

D

D

L

I

L

F

S

K

F

L

I

I

S
x
K

D

D

E

E

G

N

V

V

K

E

F

Y

I

V

D

D

V

I

R

R

F

F

C

C

D

D

L

L

P

P

G

G

V

V

M

V

Q

Q

H

H

F

F

T

S

V

I

P

P

A

A

S

S

S

A

F

F

D

D

N

E

E

S

T

V

F

F

T

E

N

D

G

G

L

L

A

A

F

F

D

D

G

G

S

S

V

V

R

R

G

G

F

F

Q

Q

E

S

I

I

H

H

E

E

S

S

D

D

M

M

L

M

L

L

P

P

D

D

P

P

Y

N

T

T

A

A

R

R

L

I

D

D

P

P

F

F

R

R

T

A

E

A

K

K

T

T

L

L

M

N

M

M

N

N

F

F

V

V

H

H

D

D

P

P

F

F

T

T

R

R

E

E

P

A

Y

Y

S

S

R

R

D

D

P

P

R

R

N

N

I

V

A

A

K

R

K

K

A

A

E

E

D

N

Y

Y

I

L

A

A

E

S

S

T

G

G

I

I

A

A

D

D

L

T

A

A

F

F

G

G

P

A

E

E

A

A

E

E

F

F

Y

Y

V

I

F

F

D

D

S

S

V

V

R

S

F

F

S

D

H

S

S

K

E

I

N

N

A

G

S

T

F

F

H

Y

E

E

I

V

D

D

S

S

I

E

E

S

G

G

W

W

N

N

T

T

G

G

R

E

D

P

E

F

E

E

G

S

-

D

-

G

-

S

G

A

N

N

R

R

G

G

Y

Y

K

K

T

V

R

R

F

P

K

K

G

G

Y

Y

F

F

P

P

V

V

P

A

P

P

V

Y

D

D

H

H

Y

Y

A

V

D

D

L

L

R

R

D

D

K

Q

I

M

S

A

L

T

K

N

L

L

E

Q

E

N

A

A

G

G

L

F

T

T

V

L

E

E

R

R

A

G

H

H

E

E

V

V

G

G

T

T

A

A

G

G

Q

Q

A

A

E

E

I

I

N

N

Y

Y

K

K

F

F

N

N

T

T

L

L

H

A

A

A

G

A

D

D

L

V

Q

L

L

L

F

F

K

K

Y

Y

I

I

V

I

K

K

N

N

T

T

A

A

W

W

E

Q

E

A

G

G

K

K

S

T

A

V

T

T

F

F

M

M

P

P

K

K

P

P

L

L

F

F

G

G

D

D

N

N

G

G

S

S

G

G

M

M

H

H

C

A

H

H

Q

Q

S

S

L

L

W

W

K

K

D

D

G

G

V

Q

P

P

L

L

F

F

H

H

D

D

E

E

S

S

G

G

Y

Y

A

A

G

G

L

L

S

S

D

D

T

I

A

A

R

R

H

H

Y

Y

I

I

G

G

I

I

L

L

T

H

H

H

A

A

P

P

S

S

L

L

A

A

F

F

T

T

N

N

P

P

T

T

I

V

N

N

S

S

Y

Y

R

K

R

R

L

L

V

V

P

P

G

G

F

Y

E

E

A

A

P

P

V

I

S

N

L

L

V

V

Y

Y

S

S

Q

Q

R

R

N

N

R

R

S

S

A

A

C

C

V

V

R

R

I

I

P

P

I

I

T

T

G

G

D

N

S

N

P

P

K

K

A

A

K

K

R

R

I

L

E

E

F

F

R

R

C

C

P

P

D

D

S

S

G

G

N

N

P

P

Y

Y

L

L

A

A

F

F

A

A

M

M

L

L

M

M

A

A

G

G

I

I

D

D

G

G

V

I

R

K

N

K

K

K

I

I

E

E

P

P

P

L

E

Q

P

P

I

V

D

D

K

K

D

D

L

L

Y

Y

E

E

L

L

P

P

E

D

E

E

Q

A

A

A

D

A

V

I

A

P

Q

Q

V

A

P

P

G

T

D

S

L

L

N

S

S

A

V

V

L

I

D

D

N

K

L

L

E

E

R

E

D

D

H

H

K14 (≠ S13) modified: Isoglutamyl lysine isopeptide (Lys-Gln) (interchain with Q-Cter in protein Pup)

1htoA Crystallographic structure of a relaxed glutamine synthetase from mycobacterium tuberculosis (see paper)
72% identity, 100% coverage: 3:430/430 of query aligns to 3:433/477 of 1htoA

query
sites
1htoA

K

K

S

T

P

P

E

D

D

D

L

V

L

F

S

K

F

L

I

A

S

K

D

D

E

E

G

K

V

V

K

E

F

Y

I

V

D

D

V

V

R

R

F

F

C

C

D

D

L

L

P

P

G

G

V

I

M

M

Q

Q

H

H

F

F

T

T

V

I

P

P

A

A

S

S

S

A

F

F

D

D

N

K

E

S

T

V

F

F

T

D

N

D

G

G

L

L

A

A

F

F

D
|
D

G

G

S

S

V

I

R

R

G

G

F

F

Q

Q

E

S

I

I

H

H

E

E

S

S

D

D

M

M

L

L

P

P

D

D

P

P

Y

E

T

T

A

A

R

R

L

I

D

D

P

P

F

F

R

R

T

A

E

A

K

K

T

T

L

L

M

N

M

I

N

N

F

F

V

V

H

H

D

D

P

P

F

F

T

T

R

L

E

E

P

P

Y

Y

S

S

R

R

D

D

P

P

R

R

N

N

I

I

A

A

K

R

K

K

A

A

E

E

D

N

Y

Y

I

L

A

I

E

S

S

T

G

G

I

I

A

A

D

D

L

T

A

A

F
x
Y

F

F

G
|
G

P

A

E
|
E

A

A

E
|
E

F

F

Y

Y

V

I

F

F

D

D

S

S

V

V

R

S

F

F

S

D

H

S

S

R

E

A

N

N

A

G

S

S

F

F

H

Y

E

E

I

V

D

D

S

A

I

I

E

S

G

G

W

W

N

N

T

T

G

G

R

A

D

A

E

T

E

E

G

A

G

D

-

G

-

S

-

P

N

N

R

R

G

G

Y

Y

K

K

T

V

R

R

F

H

K

K

G

G

Y

Y

F

F

P

P

V

V

P

A

P

P

V

N

D

D

H

Q

Y

Y

A

V

D

D

L

L

R

R

D

D

K

K

I

M

S

L

L

T

K

N

L

L

E

I

E

N

A

S

G

G

L

F

T

I

V

L

E

E

R

K

A

G

H

H

E
|
E

V

V

G

G

T

S

A

G

G

G

Q

Q

A

A

E
|
E

I

I

N

N

Y

Y

K

Q

F
|
F

N

N

T

S

L

L

H

H

A

A

G

A

D

D

L

M

Q

Q

L

L

F

Y

K

K

Y

Y

I

I

V

I

K

K

N

N

T

T

A

A

W

W

E

Q

E

N

G

G

K

K

S

T

A

V

T

T

F

F

M

M

P

P

K

K

P

P

L

L

F

F

G

G

D

D

N

N

G

G

S

S

G

G

M

M

H
|
H

C

C

H
|
H

Q

Q

S
|
S

L

L

W

W

K

K

D

D

G

G

V

A

P

P

L

L

F

M

H

Y

D

D

E

E

S

T

G

G

Y

Y

A

A

G

G

L

L

S

S

D

D

T

T

A

A

R

R

H

H

Y

Y

I

I

G

G

I

L

L

L

T

H

H

H

A

A

P

P

S

S

L

L

A

A

F

F

T

T

N

N

P

P

T

T

I

V

N

N

S

S

Y

Y

R

K

R

R

L

L

V

V

P

P

G

G

F

Y

E

E

A

A

P

P

V

I

S

N

L

L

V

V

Y

Y

S

S

Q

Q

R

R

N

N

R
|
R

S

S

A

A

C

C

V

V

R

R

I

I

P

P

I

I

T

T

G

G

D

S

S

N

P

P

K

K

A

A

K

K

R
|
R

I

L

E
|
E

F

F

R
|
R

C

S

P

P

D

D

S

S

G

G

N

N

P

P

Y

Y

L

L

A

A

F

F

A

S

A

A

M

M

L

L

M

M

A

A

G

G

I

L

D

D

G

G

V

I

R

K

N

N

K

K

I

I

E

E

P

P

P

Q

E

A

P

P

I

V

D

D

K

K

D

D

L

L

Y

Y

E

E

L

L

P

P

E

E

Q

A

A

A

D

S

V

I

A

P

Q

Q

V

T

P

P

G

T

D

Q

L

L

N

S

S

D

V

V

L

I

D

D

N

R

L

L

E

E

R

A

D

D

H

H

active site: D53 (= D53), E132 (= E132), E134 (= E134), E218 (= E215), E226 (= E223), H275 (= H272), R346 (= R343), E365 (= E362), R367 (= R364)
binding adenosine monophosphate: Y128 (≠ F128), G130 (= G130), E132 (= E132), F231 (= F228), H277 (= H274), S279 (= S276), R363 (= R360)
binding manganese (ii) ion: E132 (= E132), H275 (= H272), E365 (= E362)

P9WN39 Glutamine synthetase; GS; Glutamate--ammonia ligase; Glutamine synthetase I beta; GSI beta; EC 6.3.1.2 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see 5 papers)
72% identity, 100% coverage: 3:430/430 of query aligns to 4:434/478 of P9WN39

query
sites
P9WN39

K

K

S

T

P

P

E

D

D

D

L

V

L

F

S

K

F

L

I

A

S

K

D

D

E

E

G

K

V

V

K

E

F

Y

I

V

D

D

V

V

R

R

F

F

C

C

D

D

L

L

P

P

G

G

V

I

M

M

Q

Q

H

H

F

F

T

T

V

I

P

P

A

A

S

S

S

A

F

F

D

D

N

K

E

S

T

V

F

F

T

D

N

D

G

G

L

L

A

A

F

F

D

D

G

G

S

S

V

I

R

R

G

G

F

F

Q

Q

E

S

I

I

H

H

E

E

S

S

D

D

M

M

L

L

P

P

D

D

P

P

Y

E

T

T

A

A

R

R

L

I

D

D

P

P

F

F

R

R

T

A

E

A

K

K

T

T

L

L

M

N

M

I

N

N

F

F

V

V

H

H

D

D

P

P

F

F

T

T

R

L

E

E

P

P

Y

Y

S

S

R

R

D

D

P

P

R

R

N

N

I

I

A

A

K

R

K

K

A

A

E

E

D

N

Y

Y

I

L

A

I

E

S

S

T

G

G

I

I

A

A

D

D

L

T

A

A

F

Y

F

F

G

G

P

A

E
|
E

A

A

E
|
E

F

F

Y

Y

V

I

F

F

D

D

S

S

V

V

R

S

F

F

S

D

H

S

S

R

E

A

N

N

A

G

S

S

F

F

H

Y

E

E

I

V

D

D

S

A

I

I

E

S

G

G

W

W

N

N

T

T

G

G

R

A

D

A

E

T

E

E

G

A

G

D

-

G

-

S

-

P

N

N

R

R

G

G

Y

Y

K

K

T

V

R

R

F

H

K

K

G

G

Y

Y

F

F

P

P

V

V

P

A

P

P

V

N

D

D

H

Q

Y

Y

A

V

D

D

L

L

R

R

D

D

K

K

I

M

S

L

L

T

K

N

L

L

E

I

E

N

A

S

G

G

L

F

T

I

V

L

E

E

R

K

A

G

H

H

E
|
E

V

V

G

G

T

S

A

G

G

G

Q

Q

A

A

E
|
E

I

I

N

N

Y

Y

K

Q

F

F

N

N

T

S

L

L

H

H

A

A

G

A

D

D

L

M

Q

Q

L

L

F

Y

K

K

Y

Y

I

I

V

I

K

K

N

N

T

T

A

A

W

W

E

Q

E

N

G

G

K

K

S

T

A

V

T

T

F

F

M

M

P

P

K

K

P

P

L

L

F

F

G

G

D

D

N

N

G

G

S

S

G

G

M

M

H
|
H

C

C

H

H

Q

Q

S

S

L

L

W

W

K

K

D

D

G

G

V

A

P

P

L

L

F

M

H

Y

D

D

E

E

S

T

G

G

Y

Y

A

A

G

G

L

L

S

S

D

D

T

T

A

A

R

R

H

H

Y

Y

I

I

G

G

I

L

L

L

T

H

H

H

A

A

P

P

S

S

L

L

A

A

F

F

T

T

N

N

P

P

T

T

I

V

N

N

S

S

Y

Y

R

K

R

R

L

L

V

V

P

P

G

G

F

Y

E

E

A

A

P

P

V

I

S

N

L

L

V

V

Y

Y

S

S

Q

Q

R

R

N

N

R

R

S

S

A

A

C

C

V

V

R

R

I

I

P

P

I

I

T

T

G

G

D

S

S

N

P

P

K

K

A

A

K

K

R

R

I

L

E
|
E

F

F

R

R

C

S

P

P

D

D

S

S

G

G

N

N

P

P

Y

Y

L

L

A

A

F

F

A

S

A

A

M

M

L

L

M

M

A

A

G

G

I

L

D

D

G

G

V

I

R

K

N

N

K

K

I

I

E

E

P

P

P

Q

E

A

P

P

I

V

D

D

K

K

D

D

L

L

Y
|
Y

E

E

L

L

P

P

E

E

Q

A

A

A

D

S

V

I

A

P

Q

Q

V

T

P

P

G

T

D

Q

L

L

N

S

S

D

V

V

L

I

D

D

N

R

L

L

E

E

R

A

D

D

H

H

E133 (= E132) binding Mg(2+)
E135 (= E134) binding Mg(2+)
E219 (= E215) binding Mg(2+)
E227 (= E223) binding Mg(2+)
H276 (= H272) binding Mg(2+)
E366 (= E362) binding Mg(2+)
Y406 (= Y402) modified: O-AMP-tyrosine; mutation to F: Unable to be adenylylated.

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

4acfA Crystal structure of mycobacterium tuberculosis glutamine synthetase in complex with imidazopyridine inhibitor ((4-(6-bromo-3- (butylamino)imidazo(1,2-a)pyridin-2-yl)phenoxy) acetic acid) and l- methionine-s-sulfoximine phosphate.
72% identity, 100% coverage: 3:430/430 of query aligns to 1:431/475 of 4acfA

query
sites
4acfA

K

K

S

T

P

P

E

D

D

D

L

V

L

F

S

K

F

L

I

A

S

K

D

D

E

E

G

K

V

V

K

E

F

Y

I

V

D

D

V

V

R

R

F

F

C

C

D

D

L

L

P

P

G

G

V

I

M

M

Q

Q

H

H

F

F

T

T

V

I

P

P

A

A

S

S

S

A

F

F

D

D

N

K

E

S

T

V

F

F

T

D

N

D

G

G

L

L

A

A

F

F

D
|
D

G

G

S

S

V

I

R

R

G

G

F

F

Q

Q

E

S

I

I

H

H

E

E

S

S

D

D

M

M

L

L

P

P

D

D

P

P

Y

E

T

T

A

A

R

R

L

I

D

D

P

P

F

F

R

R

T

A

E

A

K

K

T

T

L

L

M

N

M

I

N

N

F

F

V

V

H

H

D

D

P

P

F

F

T

T

R

L

E

E

P

P

Y

Y

S

S

R

R

D

D

P

P

R

R

N

N

I

I

A

A

K

R

K

K

A

A

E

E

D

N

Y

Y

I

L

A

I

E

S

S

T

G

G

I

I

A

A

D

D

L

T

A

A

F
x
Y

F

F

G

G

P

A

E
|
E

A

A

E
|
E

F

F

Y

Y

V

I

F

F

D

D

S

S

V

V

R

S

F

F

S

D

H

S

S

R

E

A

N

N

A

G

S

S

F

F

H

Y

E

E

I

V

D

D

S

A

I

I

E

S

G

G

W

W

N

N

T

T

G

G

R

A

D

A

E

T

E

E

G

A

G

D

-

G

-

S

-

P

N

N

R

R

G

G

Y

Y

K

K

T

V

R

R

F

H

K

K

G

G

Y

Y

F

F

P

P

V

V

P

A

P

P

V

N

D

D

H

Q

Y

Y

A

V

D

D

L

L

R

R

D

D

K

K

I

M

S

L

L

T

K

N

L

L

E

I

E

N

A

S

G

G

L

F

T

I

V

L

E

E

R

K

A

G

H

H

E
|
E

V

V

G

G

T

S

A

G

G

G

Q

Q

A

A

E
|
E

I

I

N

N

Y

Y

K

Q

F
|
F

N

N

T

S

L

L

H

H

A

A

G

A

D

D

L

M

Q

Q

L

L

F

Y

K

K

Y

Y

I

I

V

I

K

K

N

N

T

T

A

A

W

W

E

Q

E

N

G

G

K

K

S

T

A

V

T

T

F

F

M

M

P

P

K

K

P

P

L

L

F

F

G

G

D

D

N

N

G
|
G

S

S

G

G

M

M

H
|
H

C

C

H
|
H

Q
|
Q

S

S

L

L

W
|
W

K

K

D

D

G

G

V

A

P

P

L

L

F

M

H

Y

D

D

E

E

S

T

G

G

Y

Y

A

A

G

G

L

L

S

S

D

D

T

T

A

A

R

R

H

H

Y

Y

I

I

G

G

I

L

L

L

T

H

H

H

A

A

P

P

S

S

L

L

A

A

F

F

T

T

N

N

P

P

T

T

I

V

N

N

S

S

Y

Y

R

K

R
|
R

L

L

V

V

P

P

G

G

F

Y

E
|
E

A

A

P

P

V

I

S

N

L

L

V

V

Y

Y

S

S

Q

Q

R

R

N

N

R
|
R

S

S

A

A

C

C

V

V

R

R

I

I

P

P

I

I

T

T

G

G

D

S

S
x
N

P

P

K
|
K

A

A

K

K

R
|
R

I

L

E
|
E

F

F

R
|
R

C

S

P

P

D

D

S

S

G

G

N

N

P

P

Y

Y

L

L

A

A

F

F

A

S

A

A

M

M

L

L

M

M

A

A

G

G

I

L

D

D

G

G

V

I

R

K

N

N

K

K

I

I

E

E

P

P

P

Q

E

A

P

P

I

V

D

D

K

K

D

D

L

L

Y

Y

E

E

L

L

P

P

E

E

Q

A

A

A

D

S

V

I

A

P

Q

Q

V

T

P

P

G

T

D

Q

L

L

N

S

S

D

V

V

L

I

D

D

N

R

L

L

E

E

R

A

D

D

H

H

active site: D51 (= D53), E130 (= E132), E132 (= E134), E216 (= E215), E224 (= E223), H273 (= H272), R344 (= R343), E363 (= E362), R365 (= R364)
binding {4-[6-bromo-3-(butylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy}acetic acid: Y126 (≠ F128), F229 (= F228), H275 (= H274), Q276 (= Q275), W279 (= W278), N356 (≠ S355), K358 (= K357), R361 (= R360)
binding magnesium ion: E130 (= E132), E130 (= E132), E132 (= E134), E216 (= E215), E224 (= E223), E224 (= E223), H273 (= H272), E363 (= E362)
binding l-methionine-s-sulfoximine phosphate: E130 (= E132), E132 (= E134), E216 (= E215), E224 (= E223), G269 (= G268), H273 (= H272), R326 (= R325), E332 (= E331), R344 (= R343), R365 (= R364)

3zxvA Crystal structure of mycobacterium tuberculosis glutamine synthetase in complex with tri-substituted imidazole inhibitor (4-(2-tert-butyl- 4-(6-methoxynaphthalen-2-yl)-1h-imidazol-5-yl)pyridin-2-amine) and l- methionine-s-sulfoximine phosphate (see paper)
72% identity, 100% coverage: 3:430/430 of query aligns to 1:431/475 of 3zxvA

query
sites
3zxvA

K

K

S

T

P

P

E

D

D

D

L

V

L

F

S

K

F

L

I

A

S

K

D

D

E

E

G

K

V

V

K

E

F

Y

I

V

D

D

V

V

R

R

F

F

C

C

D

D

L

L

P

P

G

G

V

I

M

M

Q

Q

H

H

F

F

T

T

V

I

P

P

A

A

S

S

S

A

F

F

D

D

N

K

E

S

T

V

F

F

T

D

N

D

G

G

L

L

A

A

F

F

D
|
D

G

G

S

S

V

I

R

R

G

G

F

F

Q

Q

E

S

I

I

H

H

E

E

S

S

D

D

M

M

L

L

P

P

D

D

P

P

Y

E

T

T

A

A

R

R

L

I

D

D

P

P

F

F

R

R

T

A

E

A

K

K

T

T

L

L

M

N

M

I

N

N

F

F

V

V

H

H

D

D

P

P

F

F

T

T

R

L

E

E

P

P

Y

Y

S

S

R

R

D

D

P

P

R

R

N

N

I

I

A

A

K

R

K

K

A

A

E

E

D

N

Y

Y

I

L

A

I

E

S

S

T

G

G

I

I

A

A

D

D

L

T

A

A

F
x
Y

F

F

G
|
G

P

A

E
|
E

A

A

E
|
E

F

F

Y

Y

V

I

F

F

D

D

S

S

V

V

R

S

F

F

S

D

H

S

S

R

E

A

N

N

A

G

S

S

F

F

H

Y

E

E

I

V

D

D

S

A

I

I

E

S

G

G

W

W

N

N

T

T

G

G

R

A

D

A

E

T

E

E

G

A

G

D

-

G

-

S

-

P

N

N

R

R

G

G

Y

Y

K

K

T

V

R

R

F

H

K

K

G

G

Y

Y

F

F

P

P

V

V

P

A

P

P

V

N

D

D

H

Q

Y

Y

A

V

D

D

L

L

R

R

D

D

K

K

I

M

S

L

L

T

K

N

L

L

E

I

E

N

A

S

G

G

L

F

T

I

V

L

E

E

R

K

A

G

H

H

E
|
E

V

V

G

G

T

S

A

G

G

G

Q

Q

A

A

E
|
E

I

I

N

N

Y

Y

K

Q

F
|
F

N

N

T

S

L

L

H

H

A

A

G

A

D

D

L

M

Q

Q

L

L

F

Y

K

K

Y

Y

I

I

V

I

K

K

N

N

T

T

A

A

W

W

E

Q

E

N

G

G

K

K

S

T

A

V

T

T

F

F

M

M

P

P

K

K

P

P

L

L

F

F

G

G

D

D

N

N

G
|
G

S

S

G

G

M

M

H
|
H

C

C

H
|
H

Q

Q

S
|
S

L

L

W

W

K

K

D

D

G

G

V

A

P

P

L

L

F

M

H

Y

D

D

E

E

S

T

G

G

Y

Y

A

A

G

G

L

L

S

S

D

D

T

T

A

A

R

R

H

H

Y

Y

I

I

G

G

I

L

L

L

T

H

H

H

A

A

P

P

S

S

L

L

A

A

F

F

T

T

N

N

P

P

T

T

I

V

N

N

S

S

Y

Y

R

K

R
|
R

L

L

V

V

P

P

G

G

F

Y

E
|
E

A

A

P

P

V

I

S

N

L

L

V

V

Y

Y

S

S

Q

Q

R

R

N

N

R
|
R

S

S

A

A

C

C

V

V

R

R

I

I

P

P

I

I

T

T

G

G

D

S

S

N

P

P

K
|
K

A

A

K

K

R
|
R

I

L

E
|
E

F

F

R
|
R

C

S

P

P

D

D

S

S

G

G

N

N

P

P

Y

Y

L

L

A

A

F

F

A

S

A

A

M

M

L

L

M

M

A

A

G

G

I

L

D

D

G

G

V

I

R

K

N

N

K

K

I

I

E

E

P

P

P

Q

E

A

P

P

I

V

D

D

K

K

D

D

L

L

Y

Y

E

E

L

L

P

P

E

E

Q

A

A

A

D

S

V

I

A

P

Q

Q

V

T

P

P

G

T

D

Q

L

L

N

S

S

D

V

V

L

I

D

D

N

R

L

L

E

E

R

A

D

D

H

H

active site: D51 (= D53), E130 (= E132), E132 (= E134), E216 (= E215), E224 (= E223), H273 (= H272), R344 (= R343), E363 (= E362), R365 (= R364)
binding magnesium ion: E130 (= E132), E130 (= E132), E132 (= E134), E216 (= E215), E224 (= E223), E224 (= E223), H273 (= H272), E363 (= E362)
binding 4-(2-tert-butyl-4-(6-methoxynaphthalen-2-yl)-3h-imidazol-4-yl)pyridin-2-amine: Y126 (≠ F128), G128 (= G130), F229 (= F228), H275 (= H274), S277 (= S276), K358 (= K357), R361 (= R360)
binding l-methionine-s-sulfoximine phosphate: E130 (= E132), E132 (= E134), E216 (= E215), E224 (= E223), G269 (= G268), H273 (= H272), R326 (= R325), E332 (= E331), R344 (= R343), R365 (= R364)

3zxrA Crystal structure of mycobacterium tuberculosis glutamine synthetase in complex with tri-substituted imidazole inhibitor (3-(2-tert-butyl- 5-(pyridin-4-yl)-1h-imidazol-4-yl)quinoline) and l-methionine-s- sulfoximine phosphate. (see paper)
72% identity, 100% coverage: 3:430/430 of query aligns to 1:431/475 of 3zxrA

query
sites
3zxrA

K

K

S

T

P

P

E

D

D

D

L

V

L

F

S

K

F

L

I

A

S

K

D

D

E

E

G

K

V

V

K

E

F

Y

I

V

D

D

V

V

R

R

F

F

C

C

D

D

L

L

P

P

G

G

V

I

M

M

Q

Q

H

H

F

F

T

T

V

I

P

P

A

A

S

S

S

A

F

F

D

D

N

K

E

S

T

V

F

F

T

D

N

D

G

G

L

L

A

A

F

F

D
|
D

G

G

S

S

V

I

R

R

G

G

F

F

Q

Q

E

S

I

I

H

H

E

E

S

S

D

D

M

M

L

L

P

P

D

D

P

P

Y

E

T

T

A

A

R

R

L

I

D

D

P

P

F

F

R

R

T

A

E

A

K

K

T

T

L

L

M

N

M

I

N

N

F

F

V

V

H

H

D

D

P

P

F

F

T

T

R

L

E

E

P

P

Y

Y

S

S

R

R

D

D

P

P

R

R

N

N

I

I

A

A

K

R

K

K

A

A

E

E

D

N

Y

Y

I

L

A

I

E

S

S

T

G

G

I

I

A

A

D

D

L

T

A

A

F

Y

F

F

G
|
G

P

A

E
|
E

A

A

E
|
E

F

F

Y

Y

V

I

F

F

D

D

S

S

V

V

R

S

F

F

S

D

H

S

S

R

E

A

N

N

A

G

S

S

F

F

H

Y

E

E

I

V

D

D

S

A

I

I

E

S

G

G

W

W

N

N

T

T

G

G

R

A

D

A

E

T

E

E

G

A

G

D

-

G

-

S

-

P

N

N

R

R

G

G

Y

Y

K

K

T

V

R

R

F

H

K

K

G

G

Y

Y

F

F

P

P

V

V

P

A

P

P

V

N

D

D

H

Q

Y

Y

A

V

D

D

L

L

R

R

D

D

K

K

I

M

S

L

L

T

K

N

L

L

E

I

E

N

A

S

G

G

L

F

T

I

V

L

E

E

R

K

A

G

H

H

E
|
E

V

V

G

G

T

S

A

G

G

G

Q

Q

A

A

E
|
E

I

I

N

N

Y

Y

K

Q

F
|
F

N

N

T

S

L

L

H

H

A

A

G

A

D

D

L

M

Q

Q

L

L

F

Y

K

K

Y

Y

I

I

V

I

K

K

N

N

T

T

A

A

W

W

E

Q

E

N

G

G

K

K

S

T

A

V

T

T

F

F

M

M

P

P

K

K

P

P

L

L

F

F

G

G

D

D

N

N

G

G

S

S

G

G

M

M

H
|
H

C

C

H
|
H

Q

Q

S
|
S

L

L

W

W

K

K

D

D

G

G

V

A

P

P

L

L

F

M

H

Y

D

D

E

E

S

T

G

G

Y

Y

A

A

G

G

L

L

S

S

D

D

T

T

A

A

R

R

H

H

Y

Y

I

I

G

G

I

L

L

L

T

H

H

H

A

A

P

P

S

S

L

L

A

A

F

F

T

T

N

N

P

P

T

T

I

V

N

N

S

S

Y

Y

R

K

R
|
R

L

L

V

V

P

P

G

G

F

Y

E
|
E

A

A

P

P

V

I

S

N

L

L

V

V

Y

Y

S

S

Q

Q

R

R

N

N

R
|
R

S

S

A

A

C

C

V

V

R

R

I

I

P

P

I

I

T

T

G

G

D

S

S

N

P

P

K

K

A

A

K

K

R
|
R

I

L

E
|
E

F

F

R
|
R

C

S

P

P

D

D

S

S

G

G

N

N

P

P

Y

Y

L

L

A

A

F

F

A

S

A

A

M

M

L

L

M

M

A

A

G

G

I

L

D

D

G

G

V

I

R

K

N

N

K

K

I

I

E

E

P

P

P

Q

E

A

P

P

I

V

D

D

K

K

D

D

L

L

Y

Y

E

E

L

L

P

P

E

E

Q

A

A

A

D

S

V

I

A

P

Q

Q

V

T

P

P

G

T

D

Q

L

L

N

S

S

D

V

V

L

I

D

D

N

R

L

L

E

E

R

A

D

D

H

H

active site: D51 (= D53), E130 (= E132), E132 (= E134), E216 (= E215), E224 (= E223), H273 (= H272), R344 (= R343), E363 (= E362), R365 (= R364)
binding 3-(2-tert-butyl-5-(pyridin-4-yl)-1h-imidazol-4-yl)quinoline: G128 (= G130), F229 (= F228), H275 (= H274), S277 (= S276), R361 (= R360)
binding magnesium ion: E130 (= E132), E130 (= E132), E132 (= E134), E216 (= E215), E224 (= E223), E224 (= E223), H273 (= H272), E363 (= E362)
binding l-methionine-s-sulfoximine phosphate: E130 (= E132), E132 (= E134), E216 (= E215), E224 (= E223), H273 (= H272), R326 (= R325), E332 (= E331), R344 (= R343), R365 (= R364)

2bvcA Crystal structure of mycobacterium tuberculosis glutamine synthetase in complex with a transition state mimic (see paper)
72% identity, 100% coverage: 3:430/430 of query aligns to 1:431/475 of 2bvcA

query
sites
2bvcA

K

K

S

T

P

P

E

D

D

D

L

V

L

F

S

K

F

L

I

A

S

K

D

D

E

E

G

K

V

V

K

E

F

Y

I

V

D

D

V

V

R

R

F

F

C

C

D

D

L

L

P

P

G

G

V

I

M

M

Q

Q

H

H

F

F

T

T

V

I

P

P

A

A

S

S

S

A

F

F

D

D

N

K

E

S

T

V

F

F

T

D

N

D

G

G

L

L

A

A

F

F

D
|
D

G

G

S

S

V

I

R

R

G

G

F

F

Q

Q

E

S

I

I

H

H

E

E

S

S

D

D

M

M

L

L

P

P

D

D

P

P

Y

E

T

T

A

A

R

R

L

I

D

D

P

P

F

F

R

R

T

A

E

A

K

K

T

T

L

L

M

N

M

I

N

N

F

F

V

V

H

H

D

D

P

P

F

F

T

T

R

L

E

E

P

P

Y

Y

S

S

R

R

D

D

P

P

R

R

N

N

I

I

A

A

K

R

K

K

A

A

E

E

D

N

Y

Y

I

L

A

I

E

S

S

T

G

G

I

I

A

A

D

D

L

T

A

A

F

Y

F

F

G

G

P

A

E
|
E

A

A

E
|
E

F

F

Y

Y

V

I

F

F

D

D

S

S

V

V

R

S

F

F

S

D

H

S

S

R

E

A

N

N

A

G

S

S

F

F

H

Y

E

E

I

V

D

D

S

A

I

I

E

S

G

G

W

W

N

N

T

T

G

G

R

A

D

A

E

T

E

E

G

A

G

D

-

G

-

S

-

P

N

N

R

R

G

G

Y

Y

K

K

T

V

R

R

F

H

K

K

G

G

Y

Y

F

F

P

P

V

V

P

A

P

P

V

N

D

D

H

Q

Y

Y

A

V

D

D

L

L

R

R

D

D

K

K

I

M

S

L

L

T

K

N

L

L

E

I

E

N

A

S

G

G

L

F

T

I

V

L

E
|
E

R
x
K

A

G

H

H

E
|
E

V

V

G

G

T

S

A

G

G

G

Q

Q

A

A

E
|
E

I

I

N
|
N

Y

Y

K

Q

F
|
F

N

N

T

S

L

L

H

H

A

A

G

A

D

D

L

M

Q

Q

L

L

F

Y

K

K

Y

Y

I

I

V

I

K

K

N

N

T

T

A

A

W

W

E

Q

E

N

G

G

K

K

S

T

A

V

T

T

F

F

M

M

P

P

K

K

P

P

L

L

F

F

G

G

D

D

N

N

G
|
G

S

S

G

G

M

M

H
|
H

C

C

H
|
H

Q

Q

S
|
S

L

L

W

W

K

K

D

D

G

G

V

A

P

P

L

L

F

M

H

Y

D

D

E

E

S

T

G

G

Y

Y

A

A

G

G

L

L

S

S

D

D

T

T

A

A

R

R

H

H

Y

Y

I

I

G

G

I

L

L

L

T

H

H

H

A

A

P

P

S

S

L

L

A

A

F

F

T

T

N

N

P

P

T

T

I

V

N

N

S

S

Y

Y

R

K

R
|
R

L

L

V

V

P

P

G

G

F

Y

E
|
E

A

A

P

P

V

I

S

N

L

L

V

V

Y

Y

S

S

Q

Q

R

R

N

N

R
|
R

S

S

A

A

C

C

V

V

R
|
R

I

I

P

P

I

I

T

T

G

G

D

S

S

N

P

P

K

K

A

A

K

K

R
|
R

I

L

E
|
E

F

F

R
|
R

C

S

P

P

D

D

S

S

G

G

N

N

P

P

Y

Y

L

L

A

A

F

F

A

S

A

A

M

M

L

L

M

M

A

A

G

G

I

L

D

D

G

G

V

I

R

K

N

N

K

K

I

I

E

E

P

P

P

Q

E

A

P

P

I

V

D

D

K

K

D

D

L

L

Y

Y

E

E

L

L

P

P

E

E

Q

A

A

A

D

S

V

I

A

P

Q

Q

V

T

P

P

G

T

D

Q

L

L

N

S

S

D

V

V

L

I

D

D

N

R

L

L

E

E

R

A

D

D

H

H

active site: D51 (= D53), E130 (= E132), E132 (= E134), E216 (= E215), E224 (= E223), H273 (= H272), R344 (= R343), E363 (= E362), R365 (= R364)
binding adenosine-5'-diphosphate: E130 (= E132), E211 (= E210), K212 (≠ R211), N226 (= N225), F229 (= F228), H275 (= H274), S277 (= S276), R344 (= R343), R349 (= R348), R361 (= R360), E363 (= E362)
binding magnesium ion: E130 (= E132), E130 (= E132), E132 (= E134), E216 (= E215), E224 (= E223), E224 (= E223), H273 (= H272), E363 (= E362)
binding l-methionine-s-sulfoximine phosphate: E130 (= E132), E132 (= E134), E216 (= E215), E224 (= E223), G269 (= G268), H273 (= H272), R326 (= R325), E332 (= E331), R344 (= R343), R365 (= R364)

2whiA Crystal structure of mycobacterium tuberculosis glutamine synthetase in complex with a purine analogue inhibitor and l-methionine-s- sulfoximine phosphate. (see paper)
72% identity, 100% coverage: 3:430/430 of query aligns to 2:432/476 of 2whiA

query
sites
2whiA

K

K

S

T

P

P

E

D

D

D

L

V

L

F

S

K

F

L

I

A

S

K

D

D

E

E

G

K

V

V

K

E

F

Y

I

V

D

D

V

V

R

R

F

F

C

C

D

D

L

L

P

P

G

G

V

I

M

M

Q

Q

H

H

F

F

T

T

V

I

P

P

A

A

S

S

S

A

F

F

D

D

N

K

E

S

T

V

F

F

T

D

N

D

G

G

L

L

A

A

F

F

D
|
D

G

G

S

S

V

I

R

R

G

G

F

F

Q

Q

E

S

I

I

H

H

E

E

S

S

D

D

M

M

L

L

P

P

D

D

P

P

Y

E

T

T

A

A

R

R

L

I

D

D

P

P

F

F

R

R

T

A

E

A

K

K

T

T

L

L

M

N

M

I

N

N

F

F

V

V

H

H

D

D

P

P

F

F

T

T

R

L

E

E

P

P

Y

Y

S

S

R

R

D

D

P

P

R

R

N

N

I

I

A

A

K

R

K

K

A

A

E

E

D

N

Y

Y

I

L

A

I

E

S

S

T

G

G

I

I

A

A

D

D

L

T

A

A

F
x
Y

F

F

G
|
G

P

A

E
|
E

A

A

E
|
E

F

F

Y

Y

V

I

F

F

D

D

S

S

V

V

R

S

F

F

S

D

H

S

S

R

E

A

N

N

A

G

S

S

F

F

H

Y

E

E

I

V

D

D

S

A

I

I

E

S

G

G

W

W

N

N

T

T

G

G

R

A

D

A

E

T

E

E

G

A

G

D

-

G

-

S

-

P

N

N

R

R

G

G

Y

Y

K

K

T

V

R

R

F

H

K

K

G

G

Y

Y

F

F

P

P

V

V

P

A

P

P

V

N

D

D

H

Q

Y

Y

A

V

D

D

L

L

R

R

D

D

K

K

I

M

S

L

L

T

K

N

L

L

E

I

E

N

A

S

G

G

L

F

T

I

V

L

E

E

R

K

A

G

H

H

E
|
E

V

V

G

G

T

S

A

G

G

G

Q

Q

A

A

E
|
E

I

I

N

N

Y

Y

K

Q

F
|
F

N

N

T

S

L

L

H

H

A

A

G

A

D

D

L

M

Q

Q

L

L

F

Y

K

K

Y

Y

I

I

V

I

K

K

N

N

T

T

A

A

W

W

E

Q

E

N

G

G

K

K

S

T

A

V

T

T

F

F

M

M

P

P

K

K

P

P

L

L

F

F

G

G

D

D

N

N

G
|
G

S

S

G

G

M

M

H
|
H

C

C

H
|
H

Q

Q

S
|
S

L

L

W
|
W

K

K

D

D

G

G

V

A

P

P

L

L

F

M

H

Y

D

D

E

E

S

T

G

G

Y

Y

A

A

G

G

L

L

S

S

D

D

T

T

A

A

R

R

H

H

Y

Y

I

I

G

G

I

L

L

L

T

H

H

H

A

A

P

P

S

S

L

L

A

A

F

F

T

T

N

N

P

P

T

T

I

V

N

N

S

S

Y

Y

R

K

R
|
R

L

L

V

V

P

P

G

G

F

Y

E
|
E

A

A

P

P

V

I

S

N

L

L

V

V

Y

Y

S

S

Q

Q

R

R

N

N

R
|
R

S

S

A

A

C

C

V

V

R
|
R

I

I

P

P

I

I

T

T

G

G

D

S

S

N

P

P

K
|
K

A

A

K

K

R
|
R

I

L

E
|
E

F

F

R
|
R

C

S

P

P

D

D

S

S

G

G

N

N

P

P

Y

Y

L

L

A

A

F

F

A

S

A

A

M

M

L

L

M

M

A

A

G

G

I

L

D

D

G

G

V

I

R

K

N

N

K

K

I

I

E

E

P

P

P

Q

E

A

P

P

I

V

D

D

K

K

D

D

L

L

Y

Y

E

E

L

L

P

P

E

E

Q

A

A

A

D

S

V

I

A

P

Q

Q

V

T

P

P

G

T

D

Q

L

L

N

S

S

D

V

V

L

I

D

D

N

R

L

L

E

E

R

A

D

D

H

H

active site: D52 (= D53), E131 (= E132), E133 (= E134), E217 (= E215), E225 (= E223), H274 (= H272), R345 (= R343), E364 (= E362), R366 (= R364)
binding 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-morpholin-4-yl-3,7-dihydro-1H-purine-2,6-dione: Y127 (≠ F128), G129 (= G130), F230 (= F228), H276 (= H274), S278 (= S276), W280 (= W278), K359 (= K357), R362 (= R360)
binding magnesium ion: E131 (= E132), E131 (= E132), E133 (= E134), E217 (= E215), E225 (= E223), E225 (= E223), H274 (= H272), E364 (= E362)
binding l-methionine-s-sulfoximine phosphate: E131 (= E132), E133 (= E134), E217 (= E215), E225 (= E223), G270 (= G268), H274 (= H272), R327 (= R325), E333 (= E331), R345 (= R343), R366 (= R364)
binding phosphate ion: E131 (= E132), R350 (= R348), E364 (= E362)

4xycA Nanomolar inhibitors of mycobacterium tuberculosis glutamine synthetase 1: synthesis, biological evaluation and x-ray crystallographic studies (see paper)
70% identity, 100% coverage: 3:430/430 of query aligns to 1:422/466 of 4xycA

query
sites
4xycA

K

K

S

T

P

P

E

D

D

D

L

V

L

F

S

K

F

L

I

A

S

K

D

D

E

E

G

K

V

V

K

E

F

Y

I

V

D

D

V

V

R

R

F

F

C

C

D

D

L

L

P

P

G

G

V

I

M

M

Q

Q

H

H

F

F

T

T

V

I

P

P

A

A

S

S

S

A

F

F

D

D

N

K

E

S

T

V

F

F

T

D

N

D

G

G

L

L

A

A

F

F

D
|
D

G

G

S

-

V

-

R

-

G

-

F

-

Q

-

E

-

I

-

H

H

E

E

S

S

D

D

M

M

L

L

P

P

D

D

P

P

Y

E

T

T

A

A

R

R

L

I

D

D

P

P

F

F

R

R

T

A

E

A

K

K

T

T

L

L

M

N

M

I

N

N

F

F

V

V

H

H

D

D

P

P

F

F

T

T

R

L

E

E

P

P

Y

Y

S

S

R

R

D

D

P

P

R

R

N

N

I

I

A

A

K

R

K

K

A

A

E

E

D

N

Y

Y

I

L

A

I

E

S

S

T

G

G

I

I

A

A

D

D

L

T

A

A

F
x
Y

F

F

G

G

P

A

E
|
E

A

A

E
|
E

F

F

Y

Y

V

I

F

F

D

D

S

S

V

V

R

S

F

F

S

D

H

S

S

R

E

A

N

N

A

G

S

S

F

F

H

Y

E

E

I

V

D

D

S

A

I

I

E

S

G

G

W

W

N

N

T

T

G

G

R

A

D

A

E

T

E

E

G

A

G

D

-

G

-

S

-

P

N

N

R

R

G

G

Y

Y

K

K

T

V

R

R

F

H

K

K

G

G

Y

Y

F

F

P

P

V

V

P

A

P

P

V

N

D

D

H

Q

Y

Y

A

V

D

D

L

L

R

R

D

D

K

K

I

M

S

L

L

T

K

N

L

L

E

I

E

N

A

S

G

G

L

F

T

I

V

L

E

E

R

K

A

G

H

H

E
|
E

V

V

G

G

T

S

A

G

G

G

Q

Q

A

A

E
|
E

I

I

N

N

Y

Y

K

Q

F
|
F

N

N

T

S

L

L

H

H

A

A

G

A

D

D

L

M

Q

Q

L

L

F

Y

K

K

Y

Y

I

I

V

I

K

K

N

N

T

T

A

A

W

W

E

Q

E

N

G

G

K

K

S

T

A

V

T

T

F

F

M

M

P

P

K

K

P

P

L

L

F

F

G

G

D

D

N

N

G

G

S

S

G

G

M

M

H
|
H

C

C

H
|
H

Q

Q

S
|
S

L

L

W
|
W

K

K

D

D

G

G

V

A

P

P

L

L

F

M

H

Y

D

D

E

E

S

T

G

G

Y

Y

A

A

G

G

L

L

S

S

D

D

T

T

A

A

R

R

H

H

Y

Y

I

I

G

G

I

L

L

L

T

H

H

H

A

A

P

P

S

S

L

L

A

A

F

F

T

T

N

N

P

P

T

T

I

V

N

N

S

S

Y

Y

R

K

R

R

L

L

V

V

P

P

G

G

F

Y

E

E

A

A

P

P

V

I

S

N

L

L

V

V

Y

Y

S

S

Q

Q

R

R

N

N

R
|
R

S

S

A

A

C

C

V

V

R

R

I

I

P

P

I

I

T

T

G

G

D

S

S

N

P

P

K
|
K

A
|
A

K

K

R
|
R

I

L

E
|
E

F

F

R
|
R

C

S

P

P

D

D

S

S

G

G

N

N

P

P

Y

Y

L

L

A

A

F

F

A

S

A

A

M

M

L

L

M

M

A

A

G

G

I

L

D

D

G

G

V

I

R

K

N

N

K

K

I

I

E

E

P

P

P

Q

E

A

P

P

I

V

D

D

K

K

D

D

L

L

Y

Y

E

E

L

L

P

P

E

E

Q

A

A

A

D

S

V

I

A

P

Q

Q

V

T

P

P

G

T

D

Q

L

L

N

S

S

D

V

V

L

I

D

D

N

R

L

L

E

E

R

A

D

D

H

H

active site: D51 (= D53), E121 (= E132), E123 (= E134), E207 (= E215), E215 (= E223), H264 (= H272), R335 (= R343), E354 (= E362), R356 (= R364)
binding 9-phenyl-4H-imidazo[1,2-a]indeno[1,2-e]pyrazin-4-one: Y117 (≠ F128), F220 (= F228), H266 (= H274), S268 (= S276), W270 (= W278), K349 (= K357), A350 (= A358), R352 (= R360)

2wgsA Crystal structure of mycobacterium tuberculosis glutamine synthetase in complex with a purine analogue inhibitor. (see paper)
69% identity, 100% coverage: 3:430/430 of query aligns to 1:419/463 of 2wgsA

query
sites
2wgsA

K

K

S

T

P

P

E

D

D

D

L

V

L

F

S

K

F

L

I

A

S

K

D

D

E

E

G

K

V

V

K

E

F

Y

I

V

D

D

V

V

R

R

F

F

C

C

D

D

L

L

P

P

G

G

V

I

M

M

Q

Q

H

H

F

F

T

T

V

I

P

P

A

A

S

S

S

A

F

F

D

D

N

K

E

S

T

V

F

F

T

D

N

D

G

G

L

L

A

A

F

F

D
|
D

G

G

S

S

V

I

R

R

G

G

F

F

Q

Q

E

-

I

-

H

-

E

-

S

S

D

D

M

M

L

L

P

P

D

D

P

P

Y

E

T

T

A

A

R

R

L

I

D

D

P

P

F

F

R

R

T

A

E

A

K

K

T

T

L

L

M

N

M

I

N

N

F

F

V

V

H

H

D

D

P

P

F

F

T

T

R

L

E

E

P

P

Y

Y

S

S

R

R

D

D

P

P

R

R

N

N

I

I

A

A

K

R

K

K

A

A

E

E

D

N

Y

Y

I

L

A

I

E

S

S

T

G

G

I

I

A

A

D

D

L

T

A

A

F
x
Y

F

F

G
|
G

P

A

E
|
E

A

A

E
|
E

F

F

Y

Y

V

I

F

F

D

D

S

S

V

V

R

S

F

F

S

D

H

S

S

R

E

A

N

N

A

G

S

S

F

F

H

Y

E

E

I

V

D

D

S

A

I

I

E

S

G

G

W

W

N

N

T

T

G

G

R

A

D

A

E

T

E

E

G

A

G

D

-

G

-

S

-

P

N

N

R

R

G

G

Y

Y

K

K

T

V

R

R

F

H

K

K

G

G

Y

Y

F

F

P

P

V

V

P

A

P

P

V

N

D

D

H

Q

Y

Y

A

V

D

D

L

L

R

R

D

D

K

K

I

M

S

L

L

T

K

N

L

L

E

I

E

N

A

S

G

G

L

F

T

I

V

L

E

E

R

K

A

G

H

H

E
|
E

V

V

G

G

T

S

A

G

G

G

Q

Q

A

A

E
|
E

I

I

N
|
N

Y

Y

K

Q

F
|
F

N

N

T

S

L

L

H

H

A

A

G

A

D

D

L

M

Q

Q

L

L

F

Y

K

K

Y

Y

I

I

V

I

K

K

N

N

T

T

A

A

W

W

E

Q

E

N

G

G

K

K

S

T

A

V

T

T

F

F

M

M

P

P

K

K

P

P

L

L

F

F

G

G

D

D

N

N

G

G

S

S

G

G

M

M

H
|
H

C

C

H
|
H

Q

Q

S
|
S

L

L

W
|
W

K

K

D

D

G

G

V

A

P

P

L

L

F

M

H

Y

D

D

E

E

S

T

G

G

Y

Y

A

A

G

G

L

L

S

S

D

D

T

T

A

A

R

R

H

H

Y

Y

I

I

G

G

I

L

L

L

T

H

H

H

A

A

P

P

S

S

L

L

A

A

F

F

T

T

N

N

P

P

T

T

I

V

N

N

S

S

Y

Y

R

K

R

R

L

L

V

V

P

P

G

G

F

Y

E

E

A

A

P

P

V

I

S

N

L

L

V

V

Y

Y

S

S

Q

Q

R

R

N

N

R
|
R

S

S

A

A

C

C

V

V

R

R

I

I

P

P

I

I

T

T

G

G

D

S

S

N

P

P

K
|
K

A

A

K

K

R
|
R

I

L

E
|
E

F

F

R
|
R

C

S

P

P

D

D

S

S

G

G

N

N

P

P

Y

Y

L

L

A

A

F

F

A

S

A

A

M

M

L

L

M

M

A

A

G

G

I

L

D

D

G

G

V

I

R

K

N

N

K

K

I

I

E

E

P

P

P

Q

E

A

P

P

I

V

D

D

K

K

D

D

L

A

Y

A

E

S

L

I

P

P

P

-

E

-

Q

-

A

-

D

-

V

-

A

-

Q

Q

V

T

P

P

G

T

D

Q

L

L

N

S

S

D

V

V

L

I

D

D

N

R

L

L

E

E

R

A

D

D

H

H

active site: D51 (= D53), E126 (= E132), E128 (= E134), E212 (= E215), E220 (= E223),