SitesBLAST

5fi7A Crystal structure of human gac in complex with inhibitor upgl_00015: 2-phenyl-~{n}-[5-[(3~{s})-3-[[5-(2-phenylethanoylamino)-1,3,4- thiadiazol-2-yl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl]ethanamide (see paper)
38% identity, 90% coverage: 21:295/304 of query aligns to 108:385/410 of 5fi7A

query
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5fi7A

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active site: S150 (= S63), K153 (= K66), Y278 (= Y189), Y330 (= Y240), V348 (= V258)
binding 2-phenyl-~{N}-[5-[(3~{S})-3-[[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl]ethanamide: K184 (≠ S97), L185 (= L98), F186 (≠ V99), L187 (≠ Q100), E189 (= E102), Y258 (≠ L171)

5fi6A Crystal structure of human gac in complex with inhibitor upgl_00011: 2-phenyl-~{n}-[5-[[(3~{s})-1-[5-(2-phenylethanoylamino)-1,3,4- thiadiazol-2-yl]pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2- yl]ethanamide (see paper)
38% identity, 90% coverage: 21:295/304 of query aligns to 108:385/410 of 5fi6A

query
sites
5fi6A

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active site: S150 (= S63), K153 (= K66), Y278 (= Y189), Y330 (= Y240), V348 (= V258)
binding 2-phenyl-~{N}-[5-[[(3~{S})-1-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide: R181 (≠ S94), F182 (= F95), K184 (≠ S97), L185 (= L98), F186 (≠ V99), L187 (≠ Q100), N188 (≠ I101), E189 (= E102), Y258 (≠ L171)

5fi2A Crystal structure of human gac in complex with inhibitor upgl_00009: 2-phenyl-~{n}-[5-[[(3~{r})-1-[5-(2-phenylethanoylamino)-1,3,4- thiadiazol- 2-yl]pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2- yl]ethanamide (see paper)
38% identity, 90% coverage: 21:295/304 of query aligns to 108:385/410 of 5fi2A

query
sites
5fi2A

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active site: S150 (= S63), K153 (= K66), Y278 (= Y189), Y330 (= Y240), V348 (= V258)
binding 2-phenyl-~{N}-[5-[[(3~{R})-1-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide: K184 (≠ S97), L185 (= L98), F186 (≠ V99), L187 (≠ Q100), Y258 (≠ L171)

8jubA Crystal structure of glutaminasE C in complex with compound 27 (see paper)
38% identity, 90% coverage: 21:295/304 of query aligns to 100:377/401 of 8jubA

query
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8jubA

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binding 3-[2-oxidanylidene-2-[[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]amino]ethyl]benzoic acid: R173 (≠ S94), K176 (≠ S97), L177 (= L98), F178 (≠ V99), L179 (≠ Q100), Y250 (≠ L171)

4o7dA Crystal structure of human glutaminase in complex don (see paper)
38% identity, 90% coverage: 21:295/304 of query aligns to 26:303/313 of 4o7dA

query
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4o7dA

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E

V

P

P

F

F

S

C

I

L

Q
|
Q

S
|
S

I

C

S

V

K
|
K

V

P

F

L

S

K

L

Y

T

A

V

I

A

A

L

V

T

N

L

D

Y

L

E

G

E

T

A

E

E

Y

I

V

W

H

S

R

R

Y

V

V

G

G

K

K

E

E

P

P

S

S

G

G

Q

L

S

R

F

F

N

N

S

K

L

L

V

F

Q

L

I

N

E

E

L

D

E

D

R

K

G

-

V

-

P

P

R

H

N

N

P

P

F

M

I

V

N
|
N

A

A

G

G

A

A

L

I

I

V

A

T

D

S

L

L

L

I

Q

K

S

Q

R

G

L

V

G

N

A

N

P

A

K

E

H

K

-

F

-

D

R

Y

M

V

L

M

E

Q

V

F

V

L

R

N

K

K

L

M

S

A

A

G

N

N

P

E

H

Y

V

V

I

G

Y

F

D

S

K

N

R

A

V

T

A

F

A

Q

S

S

E
|
E

Y

R

E

E

H

S

S

G

A

D

R

R

N

N

A

F

A

A

I

I

A

G

Y

Y

L

Y

M

L

K

K

S

E

F

K

G

K

N

C

F

F

N

P

N

E

D

G

V

T

D

D

R

M

V

V

-

G

-

I

L

L

R

D

N

F

Y
|
Y

F

F

H

Q

Y

L

C

C

A

S

L

I

K

E

M

V

S

T

C

C

A

E

D

S

L

A

S

S

K

V

A

M

M

A

L

A

Y

T

L

L

A

A

N

N

R

G

G

G

Q

F

S

C

-

P

L

I

S

T

A

G

E

E

Q

R

V

V

V

L

S

S

P

P

I

E

Q

A

T

V

R

R

K

N

L

T

N

L

A

S

L

L

L

M

A

H

T

S

S

C

G

G

L

M

Y
|
Y

D

D

G

F

A

S

G

G

E

Q

F

F

A

A

Y

F

R

H

V

V

G

G

M

L

P

P

G

A

K

K

S

S

G
|
G

V
|
V

G

A

G

G

I

I

I

L

A

L

V

V

I

V

P

P

G

N

D

V

M

M

S

G

I

M

C

M

V

C

W

W

S

S

P

P

E

P

L

L

D

D

K

K

N

M

G

G

N

N

S

S

L

V

A

K

G

G

T

I

A

H

A

F

L

C

E

H

K

D

L

L

active site: S68 (= S63), K71 (= K66), Y196 (= Y189), Y248 (= Y240), V266 (= V258)
binding 5-oxo-l-norleucine: Y31 (= Y26), Q67 (= Q62), S68 (= S63), N117 (= N114), E163 (= E158), Y196 (= Y189), Y248 (= Y240), G265 (= G257), V266 (= V258)

6umdB Crystal structure of human gac in complex with inhibitor upgl00012
38% identity, 90% coverage: 21:295/304 of query aligns to 108:385/409 of 6umdB

query
sites
6umdB

G

G

K

K

V

V

A

A

D

D

Y

Y

I

I

P

P

A

Q

L

L

A

A

E

K

V

F

D

S

P

P

T

D

K

L

L

W

G

G

I

V

A

S

V

V

T

C

T

T

I

V

D

D

G

G

Q

Q

T

R

I

H

G

S

A

T

G

G

D

D

Y

T

L

K

E

V

P

P

F

F

S

C

I

L

Q

Q

S
|
S

I

C

S

V

K
|
K

V

P

F

L

S

K

L

Y

T

A

V

I

A

A

L

V

T

N

L

D

Y

L

E

G

E

T

A

E

E

Y

I

V

W

H

S

R

R

Y

V

V

G

G

K

K

E

E

P

P

S

S

G

G

Q

L

S
x
R

F

F

N

N

S
x
K

L
|
L

V
x
F

Q
x
L

I
x
N

E
|
E

L

D

E

D

R

K

G

-

V

-

P

P

R

H

N

N

P

P

F

M

I

V

N

N

A

A

G

G

A

A

L

I

I

V

A

T

D

S

L

L

L

I

Q

K

S

Q

R

G

L

V

G

N

A

N

P

A

K

E

H

K

-

F

-

D

R

Y

M

V

L

M

E

Q

V

F

V

L

R

N

K

K

L

M

S

A

A

G

N

N

P

E

H

Y

V

V

I

G

Y

F

D

S

K

N

R

A

V

T

A

F

A

Q

S

S

E

E

Y

R

E

E

H

S

S

G

A

D

R

R

N

N

A

F

A

A

I

I

A

G

Y

Y

L
x
Y

M

L

K

K

S

E

F

K

G

K

N

C

F

F

N

P

N

E

D

G

V

T

D

D

R

M

V

V

-

G

-

I

L

L

R

D

N

F

Y
|
Y

F

F

H

Q

Y

L

C

C

A

S

L

I

K

E

M

V

S

T

C

C

A

E

D

S

L

A

S

S

K

V

A

M

M

A

L

A

Y

T

L

L

A

A

N

N

R

G

G

G

Q

F

S

C

-

P

L

I

S

T

A

G

E

E

Q

R

V

V

V

L

S

S

P

P

I

E

Q

A

T

V

R

R

K

N

L

T

N

L

A

S

L

L

L

M

A

H

T

S

S

C

G

G

L

M

Y
|
Y

D

D

G

F

A

S

G

G

E

Q

F

F

A

A

Y

F

R

H

V

V

G

G

M

L

P

P

G

A

K

K

S

S

G

G

V
|
V

G

A

G

G

I

I

I

L

A

L

V

V

I

V

P

P

G

N

D

V

M

M

S

G

I

M

C

M

V

C

W

W

S

S

P

P

E

P

L

L

D

D

K

K

N

M

G

G

N

N

S

S

L

V

A

K

G

G

T

I

A

H

A

F

L

C

E

H

K

D

L

L

active site: S150 (= S63), K153 (= K66), Y278 (= Y189), Y330 (= Y240), V348 (= V258)
binding 2-(pyridin-3-yl)-N-(5-{4-[(5-{[(pyridin-3-yl)acetyl]amino}-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl}-1,3,4-thiadiazol-2-yl)acetamide: R181 (≠ S94), K184 (≠ S97), L185 (= L98), F186 (≠ V99), L187 (≠ Q100), N188 (≠ I101), E189 (= E102), Y258 (≠ L171)

6ul9B Crystal structure of human gac in complex with inhibitor upgl00023
38% identity, 90% coverage: 21:295/304 of query aligns to 108:385/409 of 6ul9B

query
sites
6ul9B

G

G

K

K

V

V

A

A

D

D

Y

Y

I

I

P

P

A

Q

L

L

A

A

E

K

V

F

D

S

P

P

T

D

K

L

L

W

G

G

I

V

A

S

V

V

T

C

T

T

I

V

D

D

G

G

Q

Q

T

R

I

H

G

S

A

T

G

G

D

D

Y

T

L

K

E

V

P

P

F

F

S

C

I

L

Q

Q

S
|
S

I

C

S

V

K
|
K

V

P

F

L

S

K

L

Y

T

A

V

I

A

A

L

V

T

N

L

D

Y

L

E

G

E

T

A

E

E

Y

I

V

W

H

S

R

R

Y

V

V

G

G

K

K

E

E

P

P

S

S

G

G

Q

L

S
x
R

F

F

N

N

S
x
K

L
|
L

V
x
F

Q
x
L

I
x
N

E
|
E

L

D

E

D

R

K

G

-

V

-

P

P

R

H

N

N

P

P

F

M

I

V

N

N

A

A

G

G

A

A

L

I

I

V

A

T

D

S

L

L

L

I

Q

K

S

Q

R

G

L

V

G

N

A

N

P

A

K

E

H

K

-

F

-

D

R

Y

M

V

L

M

E

Q

V

F

V

L

R

N

K

K

L

M

S

A

A

G

N

N

P

E

H

Y

V

V

I

G

Y

F

D

S

K

N

R

A

V

T

A

F

A

Q

S

S

E

E

Y

R

E

E

H

S

S

G

A

D

R

R

N

N

A

F

A

A

I

I

A

G

Y

Y

L
x
Y

M

L

K

K

S

E

F

K

G

K

N

C

F

F

N

P

N

E

D

G

V

T

D

D

R

M

V

V

-

G

-

I

L

L

R

D

N

F

Y
|
Y

F

F

H

Q

Y

L

C

C

A

S

L

I

K

E

M

V

S

T

C

C

A

E

D

S

L

A

S

S

K

V

A

M

M

A

L

A

Y

T

L

L

A

A

N

N

R

G

G

G

Q

F

S

C

-

P

L

I

S

T

A

G

E

E

Q

R

V

V

V

L

S

S

P

P

I

E

Q

A

T

V

R

R

K

N

L

T

N

L

A

S

L

L

L

M

A

H

T

S

S

C

G

G

L

M

Y
|
Y

D

D

G

F

A

S

G

G

E

Q

F

F

A

A

Y

F

R

H

V

V

G

G

M

L

P

P

G

A

K

K

S

S

G

G

V
|
V

G

A

G

G

I

I

I

L

A

L

V

V

I

V

P

P

G

N

D

V

M

M

S

G

I

M

C

M

V

C

W

W

S

S

P

P

E

P

L

L

D

D

K

K

N

M

G

G

N

N

S

S

L

V

A

K

G

G

T

I

A

H

A

F

L

C

E

H

K

D

L

L

active site: S150 (= S63), K153 (= K66), Y278 (= Y189), Y330 (= Y240), V348 (= V258)
binding 2-phenyl-N-{5-[(1-{5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}azetidin-3-yl)oxy]-1,3,4-thiadiazol-2-yl}acetamide: R181 (≠ S94), K184 (≠ S97), L185 (= L98), F186 (≠ V99), L187 (≠ Q100), N188 (≠ I101), E189 (= E102), Y258 (≠ L171)

6loxA Crystal structure of human glutaminase with macrocyclic inhibitor (see paper)
38% identity, 90% coverage: 21:295/304 of query aligns to 106:383/407 of 6loxA

query
sites
6loxA

G

G

K

K

V

V

A

A

D

D

Y

Y

I

I

P

P

A

Q

L

L

A

A

E

K

V

F

D

S

P

P

T

D

K

L

L

W

G

G

I

V

A

S

V

V

T

C

T

T

I

V

D

D

G

G

Q

Q

T

R

I

H

G

S

A

T

G

G

D

D

Y

T

L

K

E

V

P

P

F

F

S

C

I

L

Q

Q

S
|
S

I

C

S

V

K
|
K

V

P

F

L

S

K

L

Y

T

A

V

I

A

A

L

V

T

N

L

D

Y

L

E

G

E

T

A

E

E

Y

I

V

W

H

S

R

R

Y

V

V

G

G

K

K

E

E

P

P

S

S

G

G

Q

L

S

R

F

F

N

N

S
x
K

L
|
L

V
x
F

Q
x
L

I
x
N

E

E

L

D

E

D

R

K

G

-

V

-

P

P

R

H

N

N

P

P

F

M

I

V

N

N

A

A

G

G

A

A

L

I

I

V

A

T

D

S

L

L

L

I

Q

K

S

Q

R

G

L

V

G

N

A

N

P

A

K

E

H

K

-

F

-

D

R

Y

M

V

L

M

E

Q

V

F

V

L

R

N

K

K

L

M

S

A

A

G

N

N

P

E

H

Y

V

V

I

G

Y

F

D

S

K

N

R

A

V

T

A

F

A

Q

S

S

E

E

Y

R

E

E

H

S

S

G

A

D

R

R

N

N

A

F

A

A

I

I

A

G

Y

Y

L
x
Y

M

L

K

K

S

E

F

K

G

K

N

C

F

F

N

P

N

E

D

G

V

T

D

D

R

M

V

V

-

G

-

I

L

L

R

D

N

F

Y
|
Y

F

F

H

Q

Y

L

C

C

A

S

L

I

K

E

M

V

S

T

C

C

A

E

D

S

L

A

S

S

K

V

A

M

M

A

L

A

Y

T

L

L

A

A

N

N

R

G

G

G

Q

F

S

C

-

P

L

I

S

T

A

G

E

E

Q

R

V

V

V

L

S

S

P

P

I

E

Q

A

T

V

R

R

K

N

L

T

N

L

A

S

L

L

L

M

A

H

T

S

S

C

G

G

L

M

Y
|
Y

D

D

G

F

A

S

G

G

E

Q

F

F

A

A

Y

F

R

H

V

V

G

G

M

L

P

P

G

A

K

K

S

S

G

G

V
|
V

G

A

G

G

I

I

I

L

A

L

V

V

I

V

P

P

G

N

D

V

M

M

S

G

I

M

C

M

V

C

W

W

S

S

P

P

E

P

L

L

D

D

K

K

N

M

G

G

N

N

S

S

L

V

A

K

G

G

T

I

A

H

A

F

L

C

E

H

K

D

L

L

active site: S148 (= S63), K151 (= K66), Y276 (= Y189), Y328 (= Y240), V346 (= V258)
binding (E)-15,22-Dioxa-4,11-diaza-5(2,5)-thiadiazola-10(3,6)-pyridazina-1,14(1,3)-dibenzenacyclodocosaphan-18-ene-3,12-dione: K182 (≠ S97), L183 (= L98), F184 (≠ V99), L185 (≠ Q100), N186 (≠ I101), Y256 (≠ L171)

5w2jB Crystal structure of dimeric form of mouse glutaminasE C (see paper)
38% identity, 90% coverage: 21:295/304 of query aligns to 109:386/411 of 5w2jB

query
sites
5w2jB

G

G

K

K

V

V

A

A

D

D

Y

Y

I

I

P

P

A

Q

L

L

A

A

E

K

V

F

D

S

P

P

T

D

K

L

L

W

G

G

I

V

A

S

V

V

T

C

T

T

I

V

D

D

G

G

Q

Q

T

R

I

H

G

S

A

I

G

G

D

D

Y

T

L

K

E

V

P

P

F

F

S

C

I

L

Q

Q

S
|
S

I

C

S

V

K
|
K

V

P

F

L

S

K

L

Y

T

A

V

I

A

A

L

V

T

N

L

D

Y

L

E

G

E

T

A

E

E

Y

I

V

W

H

S

R

R

Y

V

V

G

G

K

K

E

E

P

P

S

S

G

G

Q

L

S

R

F

F

N

N

S

K

L

L

V

F

Q

L

I

N

E

E

L

D

E

D

R

K

G

-

V

-

P

P

R

H

N

N

P

P

F

M

I

V

N

N

A

A

G

G

A

A

L

I

I

V

A

T

D

S

L

L

L

I

Q

K

S

Q

R

G

L

V

G

N

A

N

P

A

K

E

H

K

-

F

-

D

R

Y

M

V

L

M

E

Q

V

F

V

L

R

N

K

K

L

M

S

A

A

G

N

N

P

E

H

Y

V

V

I

G

Y

F

D

S

K

N

R

A

V

T

A

F

A

Q

S

S

E

E

Y

R

E

E

H

S

S

G

A

K

R

R

N

N

A

F

A

A

I

I

A

G

Y

Y

L

Y

M

L

K

K

S

E

F

K

G

K

N

C

F

F

N

P

N

E

D

G

V

T

D

D

R

M

V

V

-

G

-

I

L

L

R

D

N

F

Y
|
Y

F

F

H

Q

Y

L

C

C

A

S

L

I

K

E

M

V

S

T

C

C

A

E

D

S

L

A

S

S

K

V

A

M

M

A

L

A

Y

T

L

L

A

A

N

N

R

G

G

G

Q

F

S

C

-

P

L

I

S

T

A

G

E

E

Q

R

V

V

V

L

S

S

P

P

I

E

Q

A

T

V

R

R

K

N

L

T

N

L

A

S

L

L

L

M

A

H

T

S

S

C

G

G

L

M

Y
|
Y

D

D

G

F

A

S

G

G

E

Q

F

F

A

A

Y

F

R

H

V

V

G

G

M

L

P

P

G

A

K

K

S

S

G

G

V
|
V

G

A

G

G

I

I

I

L

A

L

V

V

I

V

P

P

G

N

D

V

M

M

S

G

I

M

C

M

V

C

W

W

S

S

P

P

E

P

L

L

D

D

K

K

N

M

G

G

N

N

S

S

L

V

A

K

G

G

T

I

A

H

A

F

L

C

E

H

K

D

L

L

active site: S151 (= S63), K154 (= K66), Y279 (= Y189), Y331 (= Y240), V349 (= V258)

Sites not aligning to the query:

binding : 2, 4, 81, 83

8bsnA Human gls in complex with compound 27 (see paper)
38% identity, 90% coverage: 21:295/304 of query aligns to 23:300/311 of 8bsnA

query
sites
8bsnA

G

G

K

K

V

V

A

A

D

D

Y

Y

I

I

P

P

A

Q

L

L

A

A

E

K

V

F

D

S

P

P

T

D

K

L

L

W

G

G

I

V

A

S

V

V

T

C

T

T

I

V

D

D

G

G

Q

Q

T

R

I

H

G

S

A

T

G

G

D

D

Y

T

L

K

E

V

P

P

F

F

S

C

I

L

Q

Q

S

S

I

C

S

V

K

K

V

P

F

L

S

K

L

Y

T

A

V

I

A

A

L

V

T

N

L

D

Y

L

E

G

E

T

A

E

E

Y

I

V

W

H

S

R

R

Y

V

V

G

G

K

K

E

E

P

P

S

S

G

G

Q

L

S

R

F

F

N

N

S
x
K

L
|
L

V
x
F

Q
x
L

I

N

E

E

L

D

E

D

R

K

G

-

V

-

P

P

R

H

N

N

P

P

F

M

I

V

N

N

A

A

G

G

A

A

L

I

I

V

A

T

D

S

L

L

L

I

Q

K

S

Q

R

G

L

V

G

N

A

N

P

A

K

E

H

K

-

F

-

D

R

Y

M

V

L

M

E

Q

V

F

V

L

R

N

K

K

L

M

S

A

A

G

N

N

P

E

H

Y

V

V

I

G

Y

F

D

S

K

N

R

A

V

T

A

F

A

Q

S

S

E

E

Y

R

E

E

H

S

S

G

A

D

R

R

N

N

A

F

A

A

I

I

A

G

Y

Y

L
x
Y

M

L

K

K

S

E

F

K

G

K

N

C

F

F

N

P

N

E

D

G

V

T

D

D

R

M

V

V

-

G

-

I

L

L

R

D

N

F

Y

Y

F

F

H

Q

Y

L

C

C

A

S

L

I

K

E

M

V

S

T

C

C

A

E

D

S

L

A

S

S

K

V

A

M

M

A

L

A

Y

T

L

L

A

A

N

N

R

G

G

G

Q

F

S

C

-

P

L

I

S

T

A

G

E

E

Q

R

V

V

V

L

S

S

P

P

I

E

Q

A

T

V

R

R

K

N

L

T

N

L

A

S

L

L

L

M

A

H

T

S

S

C

G

G

L

M

Y

Y

D

D

G

F

A

S

G

G

E

Q

F

F

A

A

Y

F

R

H

V

V

G

G

M

L

P

P

G

A

K

K

S

S

G

G

V

V

G

A

G

G

I

I

I

L

A

L

V

V

I

V

P

P

G

N

D

V

M

M

S

G

I

M

C

M

V

C

W

W

S

S

P

P

E

P

L

L

D

D

K

K

N

M

G

G

N

N

S

S

L

V

A

K

G

G

T

I

A

H

A

F

L

C

E

H

K

D

L

L

binding (2~{S})-2-methoxy-2-phenyl-~{N}-[5-[[(3~{R})-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide: K99 (≠ S97), L100 (= L98), F101 (≠ V99), L102 (≠ Q100), Y173 (≠ L171)

5uqeD Multidomain structure of human kidney-type glutaminase(kga/gls) (see paper)
38% identity, 90% coverage: 21:295/304 of query aligns to 108:385/507 of 5uqeD

query
sites
5uqeD

G

G

K

K

V

V

A

A

D

D

Y

Y

I

I

P

P

A

Q

L

L

A

A

E

K

V

F

D

S

P

P

T

D

K

L

L

W

G

G

I

V

A

S

V

V

T

C

T

T

I

V

D

D

G

G

Q

Q

T

R

I

H

G

S

A

T

G

G

D

D

Y

T

L

K

E

V

P

P

F

F

S

C

I

L

Q

Q

S
|
S

I

C

S

V

K
|
K

V

P

F

L

S

K

L

Y

T

A

V

I

A

A

L

V

T

N

L

D

Y

L

E

G

E

T

A

E

E

Y

I

V

W

H

S

R

R

Y

V

V

G

G

K

K

E

E

P

P

S

S

G

G

Q

L

S

R

F

F

N

N

S
x
K

L
|
L

V

F

Q

L

I

N

E

E

L

D

E
x
D

R

K

G

-

V

-

P

P

R

H

N

N

P

P

F

M

I

V

N

N

A

A

G

G

A

A

L

I

I

V

A

T

D

S

L

L

L

I

Q

K

S

Q

R

G

L

V

G

N

A

N

P

A

K

E

H

K

-

F

-

D

R

Y

M

V

L

M

E

Q

V

F

V

L

R

N

K

K

L

M

S

A

A

G

N

N

P

E

H

Y

V

V

I

G

Y

F

D

S

K

N

R

A

V

T

A

F

A

Q

S

S

E

E

Y

R

E

E

H

S

S

G

A

D

R

R

N

N

A

F

A

A

I

I

A

G

Y

Y

L
x
Y

M

L

K

K

S

E

F

K

G

K

N

C

F

F

N

P

N

E

D

G

V

T

D

D

R

M

V

V

-

G

-

I

L

L

R

D

N

F

Y
|
Y

F

F

H

Q

Y

L

C

C

A

S

L

I

K

E

M

V

S

T

C

C

A

E

D

S

L

A

S

S

K

V

A

M

M

A

L

A

Y

T

L

L

A

A

N

N

R

G

G

G

Q

F

S

C

-

P

L

I

S

T

A

G

E

E

Q

R

V

V

V

L

S

S

P

P

I

E

Q

A

T

V

R

R

K

N

L

T

N

L

A

S

L

L

L

M

A

H

T

S

S

C

G

G

L

M

Y
|
Y

D

D

G

F

A

S

G

G

E

Q

F

F

A

A

Y

F

R

H

V

V

G

G

M

L

P

P

G

A

K

K

S

S

G

G

V
|
V

G

A

G

G

I

I

I

L

A

L

V

V

I

V

P

P

G

N

D

V

M

M

S

G

I

M

C

M

V

C

W

W

S

S

P

P

E

P

L

L

D

D

K

K

N

M

G

G

N

N

S

S

L

V

A

K

G

G

T

I

A

H

A

F

L

C

E

H

K

D

L

L

active site: S150 (= S63), K153 (= K66), Y278 (= Y189), Y330 (= Y240), V348 (= V258)
binding N,N'-[sulfanediylbis(ethane-2,1-diyl-1,3,4-thiadiazole-5,2-diyl)]bis(2-phenylacetamide): K184 (≠ S97), L185 (= L98), D191 (≠ E104), Y258 (≠ L171)

8gwrB Near full length kidney type glutaminase in complex with 2,2-dimethyl- 2,3-dihydrobenzo[a] phenanthridin-4(1h)-one (ddp) (see paper)
38% identity, 90% coverage: 21:295/304 of query aligns to 101:378/501 of 8gwrB

query
sites
8gwrB

G

G

K

K

V

V

A

A

D

D

Y

Y

I

I

P

P

A

Q

L

L

A

A

E

K

V

F

D

S

P

P

T

D

K

L

L

W

G

G

I

V

A

S

V

V

T

C

T

T

I

V

D

D

G

G

Q

Q

T

R

I

H

G

S

A

T

G

G

D

D

Y

T

L

K

E

V

P

P

F

F

S

C

I

L

Q

Q

S

S

I

C

S

V

K

K

V

P

F

L

S

K

L

Y

T

A

V

I

A

A

L

V

T

N

L

D

Y

L

E

G

E

T

A

E

E

Y

I

V

W

H

S

R

R

Y

V

V

G

G

K

K

E

E

P

P

S

S

G

G

Q

L

S

R

F

F

N

N

S

K

L

L

V

F

Q

L

I

N

E

E

L

D

E

D

R

K

G

-

V

-

P

P

R

H

N

N

P

P

F

M

I

V

N

N

A

A

G

G

A

A

L

I

I

V

A

T

D

S

L

L

L

I

Q

K

S

Q

R

G

L

V

G

N

A

N

P

A

K

E

H

K

-

F

-

D

R

Y

M

V

L

M

E

Q

V

F

V

L

R

N

K

K

L

M

S

A

A

G

N

N

P

E

H

Y

V

V

I

G

Y

F

D

S

K

N

R

A

V

T

A

F

A

Q

S

S

E

E

Y

R

E

E

H

S

S

G

A

D

R

R

N

N

A

F

A

A

I

I

A

G

Y

Y

L

Y

M

L

K

K

S

E

F

K

G

K

N

C

F

F

N

P

N

E

D

G

V

T

D

D

R

M

V

V

-

G

-

I

L

L

R

D

N

F

Y

Y

F

F

H

Q

Y

L

C

C

A

S

L

I

K

E

M

V

S

T

C

C

A

E

D

S

L

A

S

S

K

V

A

M

M

A

L

A

Y

T

L

L

A

A

N

N

R

G

G

G

Q

F

S

C

-

P

L

I

S

T

A

G

E

E

Q

R

V

V

V

L

S

S

P

P

I

E

Q

A

T

V

R

R

K

N

L

T

N

L

A

S

L

L

L

M

A

H

T

S

S

C

G

G

L

M

Y

Y

D

D

G

F

A

S

G

G

E

Q

F

F

A

A

Y

F

R
x
H

V

V

G

G

M

L

P

P

G

A

K

K

S

S

G

G

V

V

G

A

G

G

I

I

I

L

A

L

V

V

I

V

P

P

G

N

D

V

M

M

S

G

I

M

C

M

V

C

W

W

S

S

P

P

E

P

L

L

D

D

K

K

N

M

G

G

N

N

S

S

L

V

A

K

G

G

T

I

A

H

A

F

L

C

E
x
H

K

D

L

L

binding 2,2-dimethyl-1,3-dihydrobenzo[a]phenanthridin-4-one: H332 (≠ R249), H376 (≠ E293)

O94925 Glutaminase kidney isoform, mitochondrial; GLS; K-glutaminase; L-glutamine amidohydrolase; EC 3.5.1.2 from Homo sapiens (Human) (see 5 papers)
38% identity, 88% coverage: 21:288/304 of query aligns to 244:514/669 of O94925

query
sites
O94925

G

G

K

K

V

V

A

A

D

D

Y
|
Y

I

I

P

P

A

Q

L

L

A

A

E

K

V

F

D

S

P

P

T

D

K

L

L

W

G

G

I

V

A

S

V

V

T

C

T

T

I

V

D

D

G

G

Q

Q

T

R

I

H

G

S

A

T

G

G

D

D

Y

T

L

K

E

V

P

P

F

F

S

C

I

L

Q

Q

S
|
S

I

C

S

V

K
|
K

V

P

F

L

S

K

L

Y

T

A

V

I

A

A

L

V

T

N

L

D

Y

L

E

G

E

T

A

E

E

Y

I

V

W

H

S

R

R

Y

V

V

G

G

K

K

E

E

P
|
P

S

S

G

G

Q

L

S

R

F
|
F

N

N

S

K

L
|
L

V
x
F

Q
x
L

I

N

E

E

L

D

E

D

R

K

G

-

V

-

P

P

R

H

N

N

P

P

F

M

I

V

N
|
N

A

A

G

G

A

A

L

I

I

V

A

T

D

S

L

L

L

I

Q

K

S

Q

R

G

L

V

G

N

A

N

P

A

K

E

H

K

-

F

-

D

R

Y

M

V

L

M

E

Q

V

F

V

L

R

N

K

K

L

M

S

A

A

G

N

N

P

E

H

Y

V

V

I

G

Y

F

D

S

K

N

R

A

V

T

A

F

A

Q

S

S

E
|
E

Y

R

E

E

H

S

S

G

A

D

R

R

N
|
N

A

F

A

A

I

I

A

G

Y

Y

L
x
Y

M

L

K

K

S

E

F

K

G

K

N

C

F

F

N

P

N

E

D

G

V

T

D

D

R

M

V

V

-

G

-

I

L

L

R

D

N

F

Y
|
Y

F

F

H

Q

Y

L

C

C

A

S

L

I

K

E

M

V

S

T

C

C

A

E

D

S

L

A

S

S

K

V

A

M

M

A

L

A

Y

T

L

L

A

A

N

N

R

G

G

G

Q

F

S

C

-

P

L

I

S

T

A

G

E

E

Q

R

V

V

V

L

S

S

P

P

I

E

Q

A

T

V

R

R

K

N

L

T

N

L

A

S

L

L

L

M

A

H

T

S

S

C

G

G

L

M

Y
|
Y

D

D

G

F

A

S

G

G

E

Q

F

F

A

A

Y

F

R

H

V

V

G

G

M

L

P

P

G

A

K

K

S
|
S

G

G

V
|
V

G

A

G

G

I

I

I

L

A

L

V

V

I

V

P

P

G

N

D

V

M

M

S

G

I

M

C

M

V

C

W

W

S

S

P

P

E

P

L

L

D

D

K

K

N

M

G

G

N

N

S

S

L

V

A

K

G

G

Y249 (= Y26) mutation to A: Loss of enzyme activity.
S286 (= S63) binding ; mutation to A: Loss of enzyme activity.
K289 (= K66) mutation to A: Loss of enzyme activity.
P313 (= P90) to L: in GDPAG; loss of enzyme activity; dbSNP:rs1558973667
F318 (= F95) mutation to Y: No effect on catalytic activity. Loss of inhibition by BPTES; when associated with S-322.
L321 (= L98) mutation to A: Decreased enzyme activity.
F322 (≠ V99) mutation to S: No effect on catalytic activity. Loss of inhibition by BPTES; when associated with Y-318.
L323 (≠ Q100) mutation to A: Decreased enzyme activity.
N335 (= N114) binding
E381 (= E158) binding
N388 (= N165) binding
Y394 (≠ L171) mutation to A: Decreased enzyme activity.; mutation to L: No effect on catalytic activity. Loss of inhibition by BPTES.
Y414 (= Y189) binding
Y466 (= Y240) binding ; mutation to A: Loss of enzyme activity.
S482 (= S256) to C: in CASGID; increased enzyme activity; dbSNP:rs1558986214
V484 (= V258) binding

D3Z7P3 Glutaminase kidney isoform, mitochondrial; GLS; EC 3.5.1.2 from Mus musculus (Mouse) (see 3 papers)
38% identity, 88% coverage: 21:288/304 of query aligns to 249:519/674 of D3Z7P3

query
sites
D3Z7P3

G

G

K

K

V

V

A

A

D

D

Y
|
Y

I

I

P

P

A

Q

L

L

A

A

E

K

V

F

D

S

P

P

T

D

K

L

L

W

G

G

I

V

A

S

V

V

T

C

T

T

I

V

D

D

G

G

Q

Q

T

R

I

H

G

S

A

I

G

G

D

D

Y

T

L

K

E

V

P

P

F

F

S

C

I

L

Q

Q

S
|
S

I

C

S

V

K

K

V

P

F

L

S

K

L

Y

T

A

V

I

A

A

L

V

T

N

L

D

Y

L

E

G

E

T

A

E

E

Y

I

V

W

H

S

R

R

Y

V

V

G

G

K
|
K

E

E

P

P

S

S

G
|
G

Q
x
L

S
x
R

F
|
F

N
|
N

S
x
K

L
|
L

V
x
F

Q

L

I

N

E

E

L

D

E

D

R

K

G

-

V

-

P

P

R

H

N

N

P

P

F

M

I

V

N
|
N

A

A

G

G

A

A

L

I

I

V

A

T

D

S

L

L

L

I

Q

K

S

Q

R

G

L

V

G

N

A

N

P

A

K

E

H

K

-

F

-

D

R

Y

M

V

L

M

E

Q

V

F

V

L

R

N

K

K

L

M

S

A

A

G

N

N

P

E

H

Y

V

V

I

G

Y

F

D

S

K

N

R

A

V

T

A

F

A

Q

S

S

E
|
E

Y

R

E

E

H

S

S

G

A
x
D

R

R

N
|
N

A
x
F

A

A

I

I

A

G

Y

Y

L

Y

M

L

K

K

S

E

F

K

G

K

N

C

F

F

N

P

N

E

D

G

V

T

D

D

R

M

V

V

-

G

-

I

L

L

R

D

N

F

Y
|
Y

F

F

H

Q

Y

L

C

C

A

S

L

I

K

E

M

V

S

T

C

C

A

E

D

S

L

A

S

S

K

V

A

M

M

A

L

A

Y

T

L

L

A

A

N

N

R

G

G

G

Q

F

S

C

-

P

L

I

S

T

A

G

E

E

Q

R

V

V

V

L

S

S

P

P

I

E

Q

A

T

V

R

R

K

N

L

T

N

L

A

S

L

L

L

M

A

H

T

S

S

C

G

G

L

M

Y
|
Y

D

D

G

F

A

S

G

G

E

Q

F

F

A

A

Y

F

R

H

V

V

G

G

M

L

P

P

G

A

K

K

S

S

G

G

V
|
V

G

A

G

G

I

I

I

L

A

L

V

V

I

V

P

P

G

N

D

V

M

M

S

G

I

M

C

M

V

C

W

W

S

S

P

P

E

P

L

L

D

D

K

K

N

M

G

G

N

N

S

S

L

V

A

K

G

G

Y254 (= Y26) mutation to F: Increased enzyme activity in the absence of phosphate. No effect on stimulation of enzyme activity by phosphate.
S291 (= S63) binding
K316 (= K88) mutation to Q: Forms dimers with full, phosphate-independent activity; when associated with A-325 and K-391.
G320 (= G92) mutation to P: Loss of enzyme activity.
320:327 (vs. 92:99, 50% identical) Highly mobile activation loop
K325 (≠ S97) mutation to A: Constitutive enzyme activity that is fully active also in the absence phosphate. Forms oligomers with full, phosphate-independent activity; when associated with K-391. Forms dimers with full, phosphate-independent activity; when associated with Q-316 and K-391.
N340 (= N114) binding
E386 (= E158) binding
D391 (≠ A163) mutation to K: Abolishes assembly of dimers into functional tetramers. Loss of enzyme activity. Forms oligomers with full, phosphate-independent activity; when associated with A-325. Forms dimers with full, phosphate-independent activity; when associated with Q-316 and A-325.
N393 (= N165) binding
F394 (≠ A166) mutation to S: Impairs tetramerization and promotes formation of homodimers. Impairs activation by phosphate.
Y419 (= Y189) binding
Y471 (= Y240) binding
V489 (= V258) binding

Sites not aligning to the query:

202 K→E: Increased stimulation of enzyme activity by phosphate.
207 K→E: Increased stimulation of enzyme activity by phosphate.

P13264 Glutaminase kidney isoform, mitochondrial; GLS; K-glutaminase; L-glutamine amidohydrolase; EC 3.5.1.2 from Rattus norvegicus (Rat) (see paper)
38% identity, 88% coverage: 21:288/304 of query aligns to 249:519/674 of P13264

query
sites
P13264

G

G

K

K

V

V

A

A

D

D

Y

Y

I

I

P

P

A

Q

L

L

A

A

E

K

V

F

D

S

P

P

T

D

K

L

L

W

G

G

I

V

A

S

V

V

T

C

T

T

I

V

D

D

G

G

Q

Q

T

R

I

H

G

S

A

I

G

G

D

D

Y

T

L

K

E

V

P

P

F

F

S

C

I

L

Q

Q

S

S

I

C

S

V

K

K

V

P

F

L

S

K

L

Y

T

A

V

I

A

A

L

V

T

N

L

D

Y

L

E

G

E

T

A

E

E

Y

I

V

W

H

S

R

R

Y

V

V

G

G

K

K

E

E

P

P

S

S

G

G

Q

L

S

R

F

F

N

N

S

K

L

L

V

F

Q

L

I

N

E

E

L

D

E

D

R

K

G

-

V

-

P

P

R

H

N

N

P

P

F

M

I

V

N

N

A

A

G

G

A

A

L

I

I

V

A

T

D

S

L

L

L

I

Q

K

S

Q

R

G

L

V

G

N

A

N

P

A

K

E

H

K

-

F

-

D

R

Y

M

V

L

M

E

Q

V

F

V

L

R

N

K

K

L

M

S

A

A

G

N

N

P

E

H

Y

V

V

I

G

Y

F

D

S

K

N

R

A

V

T

A

F

A

Q

S

S

E

E

Y

R

E

E

H

S

S

G

A

D

R

R

N

N

A

F

A

A

I

I

A

G

Y

Y

L

Y

M

L

K

K

S

E

F

K

G

K

N

C

F

F

N

P

N

E

D

G

V

T

D

D

R

M

V

V

-

G

-

I

L

L

R

D

N

F

Y

Y

F

F

H

Q

Y

L

C

C

A

S

L

I

K

E

M

V

S

T

C

C

A

E

D

S

L

A

S

S

K

V

A

M

M

A

L

A

Y

T

L

L

A

A

N

N

R

G

G

G

Q

F

S

C

-

P

L

I

S

T

A

G

E

E

Q

R

V

V

V

L

S

S

P

P

I

E

Q

A

T

V

R

R

K

N

L

T

N

L

A

S

L

L

L

M

A

H

T

S

S

C

G

G

L

M

Y

Y

D

D

G

F

A

S

G

G

E

Q

F

F

A

A

Y

F

R

H

V

V

G

G

M

L

P

P

G

A

K

K

S

S

G

G

V

V

G

A

G

G

I

I

I

L

A

L

V

V

I

V

P

P

G

N

D

V

M

M

S

G

I

M

C

M

V

C

W

W

S

S

P

P

E

P

L

L

D

D

K

K

N

M

G

G

N

N

S

S

L

V

A

K

G

G

Sites not aligning to the query:

72:73 Cleavage; MPP

6umcB Crystal structure of human gac in complex with inhibitor upgl00012
38% identity, 90% coverage: 21:295/304 of query aligns to 108:385/410 of 6umcB

query
sites
6umcB

G

G

K

K

V

V

A

A

D

D

Y

Y

I

I

P

P

A

Q

L

L

A

A

E

K

V

F

D

S

P

P

T

D

K

L

L

W

G

G

I

V

A

S

V

V

T

C

T

T

I

A

D

D

G

G

Q

Q

T

R

I

H

G

S

A

T

G

G

D

D

Y

T

L

K

E

V

P

P

F

F

S

C

I

L

Q

Q

S
|
S

I

C

S

V

K
|
K

V

P

F

L

S

K

L

Y

T

A

V

I

A

A

L

V

T

N

L

D

Y

L

E

G

E

T

A

E

E

Y

I

V

W

H

S

R

R

Y

V

V

G

G

K

K

E

E

P

P

S

S

G

G

Q

L

S

R

F

F

N

N

S
x
K

L
|
L

V
x
F

Q
x
L

I

N

E
|
E

L

D

E

D

R

K

G

-

V

-

P

P

R

H

N

N

P

P

F

M

I

V

N

N

A

A

G

G

A

A

L

I

I

V

A

T

D

S

L

L

L

I

Q

K

S

Q

R

G

L

V

G

N

A

N

P

A

K

E

H

K

-

F

-

D

R

Y

M

V

L

M

E

Q

V

F

V

L

R

N

K

K

L

M

S

A

A

G

N

N

P

E

H

Y

V

V

I

G

Y

F

D

S

K

N

R

A

V

T

A

F

A

Q

S

S

E

E

Y

R

E

E

H

S

S

G

A

D

R

R

N

N

A

F

A

A

I

I

A

G

Y

Y

L
x
Y

M

L

K

K

S

E

F

K

G

K

N

C

F

F

N

P

N

E

D

G

V

T

D

D

R

M

V

V

-

G

-

I

L

L

R

D

N

F

Y
|
Y

F

F

H

Q

Y

L

C

C

A

S

L

I

K

E

M

V

S

T

C

C

A

E

D

S

L

A

S

S

K

V

A

M

M

A

L

A

Y

T

L

L

A

A

N

N

R

G

G

G

Q

F

S

C

-

P

L

I

S

T

A

G

E

E

Q

R

V

V

V

L

S

S

P

P

I

E

Q

A

T

V

R

R

K

N

L

T

N

L

A

S

L

L

L

M

A

H

T

S

S

C

G

G

L

M

Y
|
Y

D

D

G

F

A

S

G

G

E

Q

F

F

A

A

Y

F

R

H

V

V

G

G

M

L

P

P

G

A

K

K

S

S

G

G

V
|
V

G

A

G

G

I

I

I

L

A

L

V

V

I

V

P

P

G

N

D

V

M

M

S

G

I

M

C

M

V

C

W

W

S

S

P

P

E

P

L

L

D

D

K

K

N

M

G

G

N

N

S

S

L

V

A

K

G

G

T

I

A

H

A

F

L

C

E

H

K

D

L

L

active site: S150 (= S63), K153 (= K66), Y278 (= Y189), Y330 (= Y240), V348 (= V258)
binding 2-phenyl-N-{5-[(3R)-3-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide: K184 (≠ S97), L185 (= L98), F186 (≠ V99), L187 (≠ Q100), E189 (= E102), Y258 (≠ L171)

6ujgA Crystal structure of human gac in complex with inhibitor upgl00012
38% identity, 90% coverage: 21:295/304 of query aligns to 108:385/410 of 6ujgA

query
sites
6ujgA

G

G

K

K

V

V

A

A

D

D

Y

Y

I

I

P

P

A

Q

L

L

A

A

E

K

V

F

D

S

P

P

T

D

K

L

L

W

G

G

I

V

A

S

V

V

T

C

T

T

I

A

D

D

G

G

Q

Q

T

R

I

H

G

S

A

T

G

G

D

D

Y

T

L

K

E

V

P

P

F

F

S

C

I

L

Q

Q

S
|
S

I

C

S

V

K
|
K

V

P

F

L

S

K

L

Y

T

A

V

I

A

A

L

V

T

N

L

D

Y

L

E

G

E

T

A

E

E

Y

I

V

W

H

S

R

R

Y

V

V

G

G

K

K

E

E

P

P

S

S

G

G

Q

L

S

R

F

F

N

N

S
x
K

L
|
L

V
x
F

Q
x
L

I

N

E

E

L

D

E

D

R

K

G

-

V

-

P

P

R

H

N

N

P

P

F

M

I

V

N

N

A

A

G

G

A

A

L

I

I

V

A

T

D

S

L

L

L

I

Q

K

S

Q

R

G

L

V

G

N

A

N

P

A

K

E

H

K

-

F

-

D

R

Y

M

V

L

M

E

Q

V

F

V

L

R

N

K

K

L

M

S

A

A

G

N

N

P

E

H

Y

V

V

I

G

Y

F

D

S

K

N

R

A

V

T

A

F

A

Q

S

S

E

E

Y

R

E

E

H

S

S

G

A

D

R

R

N

N

A

F

A

A

I

I

A

G

Y

Y

L
x
Y

M

L

K

K

S

E

F

K

G

K

N

C

F

F

N

P

N

E

D

G

V

T

D

D

R

M

V

V

-

G

-

I

L

L

R

D

N

F

Y
|
Y

F

F

H

Q

Y

L

C

C

A

S

L

I

K

E

M

V

S

T

C

C

A

E

D

S

L

A

S

S

K

V

A

M

M

A

L

A

Y

T

L

L

A

A

N

N

R

G

G

G

Q

F

S

C

-

P

L

I

S

T

A

G

E

E

Q

R

V

V

V

L

S

S

P

P

I

E

Q

A

T

V

R

R

K

N

L

T

N

L

A

S

L

L

L

M

A

H

T

S

S

C

G

G

L

M

Y
|
Y

D

D

G

F

A

S

G

G

E

Q

F

F

A

A

Y

F

R

H

V

V

G

G

M

L

P

P

G

A

K

K

S

S

G

G

V
|
V

G

A

G

G

I

I

I

L

A

L

V

V

I

V

P

P

G

N

D

V

M

M

S

G

I

M

C

M

V

C

W

W

S

S

P

P

E

P

L

L

D

D

K

K

N

M

G

G

N

N

S

S

L

V

A

K

G

G

T

I

A

H

A

F

L

C

E

H

K

D

L

L

active site: S150 (= S63), K153 (= K66), Y278 (= Y189), Y330 (= Y240), V348 (= V258)
binding N-{5-[(3S)-3-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]amino}pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide: K184 (≠ S97), L185 (= L98), F186 (≠ V99), L187 (≠ Q100), Y258 (≠ L171)

5wj6A Crystal structure of glutaminasE C in complex with inhibitor 2-phenyl- n-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}amino) piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide (upgl-00004) (see paper)
38% identity, 90% coverage: 21:295/304 of query aligns to 108:385/410 of 5wj6A

query
sites
5wj6A

G

G

K

K

V

V

A

A

D

D

Y

Y

I

I

P

P

A

Q

L

L

A

A

E

K

V

F

D

S

P

P

T

D

K

L

L

W

G

G

I

V

A

S

V

V

T

C

T

T

I

A

D

D

G

G

Q

Q

T

R

I

H

G

S

A

T

G

G

D

D

Y

T

L

K

E

V

P

P

F

F

S

C

I

L

Q

Q

S
|
S

I

C

S

V

K
|
K

V

P

F

L

S

K

L

Y

T

A

V

I

A

A

L

V

T

N

L

D

Y

L

E

G

E

T

A

E

E

Y

I

V

W

H

S

R

R

Y

V

V

G

G

K

K

E

E

P

P

S

S

G

G

Q

L

S
x
R

F

F

N

N

S
x
K

L
|
L

V
x
F

Q
x
L

I
x
N

E
|
E

L

D

E

D

R

K

G

-

V

-

P

P

R

H

N

N

P

P

F

M

I

V

N

N

A

A

G

G

A

A

L

I

I

V

A

T

D

S

L

L

L

I

Q

K

S

Q

R

G

L

V

G

N

A

N

P

A

K

E

H

K

-

F

-

D

R

Y

M

V

L

M

E

Q

V

F

V

L

R

N

K

K

L

M

S

A

A

G

N

N

P

E

H

Y

V

V

I

G

Y

F

D

S

K

N

R

A

V

T

A

F

A

Q

S

S

E

E

Y

R

E

E

H

S

S

G

A

D

R

R

N

N

A

F

A

A

I

I

A

G

Y

Y

L
x
Y

M

L

K

K

S

E

F

K

G

K

N

C

F

F

N

P

N

E

D

G

V

T

D

D

R

M

V

V

-

G

-

I

L

L

R

D

N

F

Y
|
Y

F

F

H

Q

Y

L

C

C

A

S

L

I

K

E

M

V

S

T

C

C

A

E

D

S

L

A

S

S

K

V

A

M

M

A

L

A

Y

T

L

L

A

A

N

N

R

G

G

G

Q

F

S

C

-

P

L

I

S

T

A

G

E

E

Q

R

V

V

V

L

S

S

P

P

I

E

Q

A

T

V

R

R

K

N

L

T

N

L

A

S

L

L

L

M

A

H

T

S

S

C

G

G

L

M

Y
|
Y

D

D

G

F

A

S

G

G

E

Q

F

F

A

A

Y

F

R

H

V

V

G

G

M

L

P

P

G

A

K

K

S

S

G

G

V
|
V

G

A

G

G

I

I

I

L

A

L

V

V

I

V

P

P

G

N

D

V

M

M

S

G

I

M

C

M

V

C

W

W

S

S

P

P

E

P

L

L

D

D

K

K

N

M

G

G

N

N

S

S

L

V

A

K

G

G

T

I

A

H

A

F

L

C

E

H

K

D

L

L

active site: S150 (= S63), K153 (= K66), Y278 (= Y189), Y330 (= Y240), V348 (= V258)
binding 2-phenyl-N-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}amino)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide: R181 (≠ S94), K184 (≠ S97), L185 (= L98), F186 (≠ V99), L187 (≠ Q100), N188 (≠ I101), E189 (= E102), Y258 (≠ L171)

5i94A Crystal structure of human glutaminasE C in complex with the inhibitor upgl-00019 (see paper)
38% identity, 90% coverage: 21:295/304 of query aligns to 108:385/410 of 5i94A

query
sites
5i94A

G

G

K

K

V

V

A

A

D

D

Y

Y

I

I

P

P

A

Q

L

L

A

A

E

K

V

F

D

S

P

P

T

D

K

L

L

W

G

G

I

V

A

S

V

V

T

C

T

T

I

A

D

D

G

G

Q

Q

T

R

I

H

G

S

A

T

G

G

D

D

Y

T

L

K

E

V

P

P

F

F

S

C

I

L

Q

Q

S
|
S

I

C

S

V

K
|
K

V

P

F

L

S

K

L

Y

T

A

V

I

A

A

L

V

T

N

L

D

Y

L

E

G

E

T

A

E

E

Y

I

V

W

H

S

R

R

Y

V

V

G

G

K

K

E

E

P

P

S

S

G

G

Q

L

S
x
R

F

F

N

N

S
x
K

L
|
L

V
x
F

Q

L

I

N

E

E

L

D

E

D

R

K

G

-

V

-

P

P

R

H

N

N

P

P

F

M

I

V

N

N

A

A

G

G

A

A

L

I

I

V

A

T

D

S

L

L

L

I

Q

K

S

Q

R

G

L

V

G

N

A

N

P

A

K

E

H

K

-

F

-

D

R

Y

M

V

L

M

E

Q

V

F

V

L

R

N

K

K

L

M

S

A

A

G

N

N

P

E

H

Y

V

V

I

G

Y

F

D

S

K

N

R

A

V

T

A

F

A

Q

S

S

E

E

Y

R

E

E

H

S

S

G

A

D

R

R

N

N

A

F

A

A

I

I

A

G

Y

Y

L
x
Y

M

L

K

K

S

E

F

K

G

K

N

C

F

F

N

P

N

E

D

G

V

T

D

D

R

M

V

V

-

G

-

I

L

L

R

D

N

F

Y
|
Y

F

F

H

Q

Y

L

C

C

A

S

L

I

K

E

M

V

S

T

C

C

A

E

D

S

L

A

S

S

K

V

A

M

M

A

L

A

Y

T

L

L

A

A

N

N

R

G

G

G

Q

F

S

C

-

P

L

I

S

T

A

G

E

E

Q

R

V

V

V

L

S

S

P

P

I

E

Q

A

T

V

R

R

K

N

L

T

N

L

A

S

L

L

L

M

A

H

T

S

S

C

G

G

L

M

Y
|
Y

D

D

G

F

A

S

G

G

E

Q

F

F

A

A

Y

F

R

H

V

V

G

G

M

L

P

P

G

A

K

K

S

S

G

G

V
|
V

G

A

G

G

I

I

I

L

A

L

V

V

I

V

P

P

G

N

D

V

M

M

S

G

I

M

C

M

V

C

W

W

S

S

P

P

E

P

L

L

D

D

K

K

N

M

G

G

N

N

S

S

L

V

A

K

G

G

T

I

A

H

A

F

L

C

E

H

K

D

L

L

active site: S150 (= S63), K153 (= K66), Y278 (= Y189), Y330 (= Y240), V348 (= V258)
binding 2-phenyl-N-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide: R181 (≠ S94), K184 (≠ S97), L185 (= L98), F186 (≠ V99), Y258 (≠ L171)

Query Sequence

>5208617 FitnessBrowser__PV4:5208617
MPQKDLLETIIEQVRPLLGKGKVADYIPALAEVDPTKLGIAVTTIDGQTIGAGDYLEPFS
IQSISKVFSLTVALTLYEEAEIWSRVGKEPSGQSFNSLVQIELERGVPRNPFINAGALII
ADLLQSRLGAPKHRMLEVVRKLSANPHVIYDKRVAASEYEHSARNAAIAYLMKSFGNFNN
DVDRVLRNYFHYCALKMSCADLSKAMLYLANRGQSLSAEQVVSPIQTRKLNALLATSGLY
DGAGEFAYRVGMPGKSGVGGGIIAVIPGDMSICVWSPELDKNGNSLAGTAALEKLSQALG
RSIF

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