SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_015933125.1 NCBI__GCF_000022085.1:WP_015933125.1 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)

O43175 D-3-phosphoglycerate dehydrogenase; 3-PGDH; 2-oxoglutarate reductase; Malate dehydrogenase; EC 1.1.1.95; EC 1.1.1.399; EC 1.1.1.37 from Homo sapiens (Human) (see 3 papers)
42% identity, 76% coverage: 5:405/531 of query aligns to 7:407/533 of O43175

query
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O43175

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T78 (≠ I78) binding NAD(+)
R135 (≠ K135) to W: in PHGDHD; results in a 2-fold decrease in enzyme activity with 3-phosphohydroxypyruvate, but no change in substrate affinity; dbSNP:rs267606949
RI 155:156 (≠ NI 155:156) binding NAD(+)
D175 (= D175) binding NAD(+)
T207 (≠ V207) binding NAD(+)
CAR 234:236 (= CAR 234:236) binding NAD(+)
D260 (= D260) binding NAD(+)
V261 (= V261) to M: in PHGDHD; results in a four-fold decrease in substrate affinity and a slight increase in maximal enzyme activity with 3-phosphohydroxypyruvate; dbSNP:rs267606947
HLGA 283:286 (= HLGA 283:286) binding NAD(+)
A373 (≠ S373) to T: in PHGDHD; results in almost undetectable enzyme activity with 3-phosphohydroxypyruvate; dbSNP:rs201553627
G377 (= G377) to S: in PHGDHD; results in a 2-fold decrease in enzyme activity with 3-phosphohydroxypyruvate, but no change in substrate affinity; dbSNP:rs267606948

Sites not aligning to the query:

1 modified: Initiator methionine, Removed
2 modified: N-acetylalanine
425 V → M: in PHGDHD; results in almost undetectable enzyme activity with 3-phosphohydroxypyruvate; dbSNP:rs121907988
490 V → M: in PHGDHD; results in almost undetectable enzyme activity with 3-phosphohydroxypyruvate; dbSNP:rs121907987

3ddnB Crystal structure of hydroxypyruvic acid phosphate bound d-3- phosphoglycerate dehydrogenase in mycobacterium tuberculosis (see paper)
40% identity, 95% coverage: 7:509/531 of query aligns to 5:502/525 of 3ddnB

query
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3ddnB

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active site: N97 (= N102), R231 (= R236), D255 (= D260), E260 (= E265), H278 (= H283)
binding 2-oxo-3-(phosphonooxy)propanoic acid: R70 (= R75), V73 (≠ I78), N97 (= N102), A281 (= A286), Q287 (= Q292)

3dc2A Crystal structure of serine bound d-3-phosphoglycerate dehydrogenase from mycobacterium tuberculosis (see paper)
40% identity, 95% coverage: 7:509/531 of query aligns to 4:503/526 of 3dc2A

query
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3dc2A

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S

G

I

G

S

V

A

V

E

N

E

E

A

-

P

-

R

E

L

V

R

A

P

P

F

W

V

L

T

D

L

L

A

V

E

R

Q

K

L

L

G

G

S

V

F

L

L

A

G

G

Q

V

L

L

T

S

E

D

A

E

P

L

I

P

R

V

G

S

I

L

R

S

I

V

A

Q

F

V

E

R

G

G

E

E

I

L

A

A

S

A

M

E

N

E

L

V

K

E

A

V

L

L

T

R

A

L

S

S

A

A

V

L

A

R

G

G

A

L

L

F

K

S

P

A

F

V

L

I

E

E

-

D

G

A

V

V

N

T

M

F

V

V

S

N

A

A

T

P

E

A

V

L

A

A

R

A

Q

E

R

R

G

G

I

V

V

T

V

A

E

E

T

-

T

I

T

C

R

K

T

A

G

S

S

E

A

S

H

P

N

N

Y

H

A

R

S

S

V

V

L

V

H

D

V

V

-

R

T

A

V

V

E

G

A

A

E

D

D

G

M

S

P

V

R

V

D

T

A

V

A

S

G

G

T

T

V

L

F

Y

H

G

D

P

G

Q

V

L

P

S

-

Q

R

K

T

I

V

V

E

Q

I

I

R

N

S

G

I

R

P

H

L

F

E

D

A

L

A

R

F

A

A

Q

P

G

H

I

M

N

L

L

Y

I

V

I

R

H

N
x
Y

A

V

D
|
D

Q
x
R

P
|
P

G
|
G

F
x
A

I
x
L

G

G

R

K

F

I

G

G

T

T

L

L

G

G

E

T

A

A

G

G

V

V

N

N

V

I

A

Q

T

A

F

A

H

Q

L
|
L

G

S

R

E

D

D

R

A

P

E

G

G

G

P

D

G

A

A

I

T

C

I

F

L

V

L

A

R

V

L

D

D

Q

Q

P

D

V

V

active site: N96 (= N102), R230 (= R236), D254 (= D260), E259 (= E265), H277 (= H283)
binding serine: Y458 (≠ N464), D460 (= D466), R461 (≠ Q467), P462 (= P468), G463 (= G469), A464 (≠ F470), L465 (≠ I471), L484 (= L490)

6rj5A Crystal structure of phgdh in complex with compound 39 (see paper)
49% identity, 57% coverage: 5:305/531 of query aligns to 2:300/301 of 6rj5A

query
sites
6rj5A

K

R

R

K

V

V

L

L

I

I

S

S

D

D

A

S

L

L

S

D

P

P

A

C

V

R

A

K

I

I

F

L

R

Q

E

D

R

G

G

G

L

L

V

Q

A

V

D

V

L

E

R

K

P

Q

E

N

L

L

G

-

K

-

D

S

K

K

E

E

A

E

L

L

A

I

A

A

A

E

I

L

G

Q

D

D

Y

C

D

E

G

G

L

L

A

I

I

V

R

R

S

S

T

A

T

T

K

K

V

V

T

T

A

A

A

D

L

V

L

I

D

N

K

A

A

A

E

E

R

K

L

L

R

Q

V

V

G

G

R

R

A

A

G

G

I

T

G

G

V

V

D

D

N

N

V

V

D

D

V

L

P

E

A

A

T

T

A

R

R

K

G

G

V

I

I

L

V

V

M

M

N

N

T

T

P

P

H

N

G

G

N

N

A

S

V

L

T

S

T

A

A

A

E

E

H

L

A

T

I

C

A

G

M

M

M

I

L

M

A

C

L

L

A

A

R

R

E

Q

I

I

P

P

Q

Q

A

A

D

T

A

A

S

S

T

M

Q

K

Q

D

G

G

R

K

W

W

E

E

K

R

N

K

R

K

F

F

L

M

G

G

I

T

E

E

L

L

T

N

A

G

K

K

T

T

L

L

G

G

V

I

I
x
L

G

G

C

L

G

G

N

R

I

I

G

G

S

R

I

E

V

V

A

A

D

T

R

R

G

M

I

Q

G

S

L

F

R

G

M

M

R

K

V

T

I

I

A

G

Y
|
Y

D
|
D

P
|
P

F

I

L
x
I

T

S

P

P

E

E

R

V

A

S

I

A

E

S

I

F

G

G

V

V

E

Q

K

Q

V

L

E

P

L

L

D

E

E

E

L

I

L

W

R

P

R

L

A

C

D

D

V

F

I

I

T

T

L

V

H
|
H

V
x
T

P
|
P

L

L

T

L

E

P

K

S

T

T

R

T

N

G

I
x
L

L

L

S

N

A

D

E

N

A

T

L

F

A

A

R

Q

T

C

K

K

P

K

G

G

V

V

R

R

I

V

V

V

N

N

C

C

A

A

R

R

G

G

L

I

V

V

D

D

E

E

A

G

A

A

L

L

R

L

A

R

A

A

L

L

D

Q

R

S

G

G

H

Q

V

C

A

A

G

G

A

A

F

L

D

D

V

V

F

F

S

T

V

E

E

E

P

P

A

P

T

R

E

D

N

R

V

A

L

L

F

V

G

D

H

H

P

E

H

N

V

V

I

I

C

S

T

C

P

P

H

H

L

L

G

G

A

A

S

S

T

T

R

K

E

E

A

A

Q

Q

E

S

N

R

V

C

A

G

L

E

Q

E

V

I

A

A

E

V

Q

Q

M

F

A

V

D

D

binding 2-methyl-~{N}-[(1~{R})-1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-5-phenyl-pyrazole-3-carboxamide: L146 (≠ I151), Y169 (= Y174), D170 (= D175), P171 (= P176), I173 (≠ L178), H201 (= H206), T202 (≠ V207), P203 (= P208), L211 (≠ I216)

7ewhA Crystal structure of human phgdh in complex with homoharringtonine (see paper)
49% identity, 57% coverage: 5:305/531 of query aligns to 2:300/302 of 7ewhA

query
sites
7ewhA

K

R

R

K

V

V

L

L

I

I

S

S

D

D

A

S

L

L

S

D

P

P

A

C

V

R

A

K

I

I

F

L

R

Q

E

D

R

G

G

G

L

L

V

Q

A

V

D

V

L

E

R

K

P

Q

E

N

L

L

G

-

K

-

D

S

K

K

E

E

A

E

L

L

A

I

A

A

A

E

I

L

G

Q

D

D

Y

C

D

E

G

G

L

L

A

I

I

V

R

R

S

S

T

A

T

T

K

K

V

V

T

T

A

A

A

D

L

V

L

I

D

N

K

A

A

A

E

E

R

K

L

L

R

Q

V

V

G

G

R

R

A

A

G

G

I

T

G

G

V

V

D

D

N

N

V

V

D

D

V

L

P

E

A

A

T

T

A

R

R

K

G

G

V

I

I

L

V

V

M

M

N

N

T

T

P

P

H

N

G

G

N

N

A

S

V

L

T

S

T

A

A

A

E

E

H

L

A

T

I

C

A

G

M

M

M

I

L

M

A

C

L

L

A

A

R

R

E

Q

I

I

P

P

Q

Q

A

A

D

T

A

A

S

S

T

M

Q

K

Q

D

G

G

R

K

W

W

E

E

K

R

N

K

R

K

F

F

L

M

G

G

I

T

E

E

L

L

T

N

A

G

K

K

T

T

L

L

G

G

V

I

I
x
L

G
|
G

C
x
L

G
|
G

N
x
R

I
|
I

G
|
G

S

R

I

E

V

V

A

A

D

T

R

R

G

M

I

Q

G

S

L

F

R

G

M

M

R

K

V

T

I

I

A

G

Y

Y

D
|
D

P

P

F

I

L

I

T

S

P

P

E

E

R

V

A

S

I

A

E

S

I

F

G

G

V

V

E

Q

K

Q

V

L

E

P

L

L

D

E

E

E

L

I

L

W

R

P

R

L

A

C

D

D

V

F

I

I

T

T

L

V

H
|
H

V
x
T

P
|
P

L

L

T

L

E

P

K

S

T

T

R

T

N

G

I

L

L

L

S

N

A

D

E

N

A

T

L

F

A

A

R

Q

T

C

K

K

P

K

G

G

V

V

R

R

I

V

V

V

N

N

C

C

A

A

R

R

G

G

L

I

V

V

D

D

E

E

A

G

A

A

L

L

R

L

A

R

A

A

L

L

D

Q

R

S

G

G

H

Q

V

C

A

A

G

G

A

A

F

L

D

D

V

V

F

F

S

T

V

E

E

E

P

P

A

P

T

R

E

D

N

R

V

A

L

L

F

V

G

D

H

H

P

E

H

N

V

V

I

I

C

S

T

C

P

P

H

H

L

L

G

G

A

A

S

S

T

T

R

K

E

E

A

A

Q

Q

E

S

N

R

V

C

A

G

L

E

Q

E

V

I

A

A

E

V

Q

Q

M

F

A

V

D

D

binding (3beta)-O~3~-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine: L146 (≠ I151), G147 (= G152), L148 (≠ C153), G149 (= G154), R150 (≠ N155), I151 (= I156), G152 (= G157), D170 (= D175), H201 (= H206), T202 (≠ V207), P203 (= P208)

6rihA Crystal structure of phgdh in complex with compound 9 (see paper)
49% identity, 57% coverage: 5:305/531 of query aligns to 2:300/302 of 6rihA

query
sites
6rihA

K

R

R

K

V

V

L

L

I

I

S

S

D

D

A

S

L

L

S

D

P

P

A

C

V

R

A

K

I

I

F

L

R

Q

E

D

R

G

G

G

L

L

V

Q

A

V

D

V

L

E

R

K

P

Q

E

N

L

L

G

-

K

-

D

S

K

K

E

E

A

E

L

L

A

I

A

A

A

E

I

L

G

Q

D

D

Y

C

D

E

G

G

L

L

A

I

I

V

R

R

S

S

T

A

T

T

K

K

V

V

T

T

A

A

A

D

L

V

L

I

D

N

K

A

A

A

E

E

R

K

L

L

R

Q

V

V

G

G

R

R

A

A

G

G

I

T

G

G

V

V

D

D

N

N

V

V

D

D

V

L

P

E

A

A

T

T

A

R

R

K

G

G

V

I

I

L

V

V

M

M

N

N

T

T

P

P

H

N

G

G

N

N

A

S

V

L

T

S

T

A

A

A

E

E

H

L

A

T

I

C

A

G

M

M

M

I

L

M

A

C

L

L

A

A

R

R

E

Q

I

I

P

P

Q

Q

A

A

D

T

A

A

S

S

T

M

Q

K

Q

D

G

G

R

K

W

W

E

E

K

R

N

K

R

K

F

F

L

M

G

G

I

T

E

E

L

L

T

N

A

G

K

K

T

T

L

L

G

G

V

I

I

L

G

G

C

L

G
|
G

N

R

I

I

G

G

S

R

I

E

V

V

A

A

D

T

R

R

G

M

I

Q

G

S

L

F

R

G

M

M

R

K

V

T

I

I

A

G

Y
|
Y

D
|
D

P
|
P

F
x
I

L
x
I

T

S

P

P

E

E

R

V

A

S

I

A

E

S

I

F

G

G

V

V

E

Q

K

Q

V

L

E

P

L

L

D

E

E

E

L

I

L

W

R

P

R

L

A

C

D

D

V

F

I

I

T

T

L

V

H

H

V
x
T

P
|
P

L

L

T

L

E

P

K

S

T

T

R

T

N

G

I
x
L

L

L

S

N

A

D

E

N

A

T

L

F

A

A

R

Q

T

C

K

K

P

K

G

G

V

V

R

R

I

V

V

V

N

N

C

C

A

A

R

R

G

G

L

I

V

V

D

D

E

E

A

G

A

A

L

L

R

L

A

R

A

A

L

L

D

Q

R

S

G

G

H

Q

V

C

A

A

G

G

A

A

F

L

D

D

V

V

F

F

S

T

V

E

E

E

P

P

A

P

T

R

E

D

N

R

V

A

L

L

F

V

G

D

H

H

P

E

H

N

V

V

I

I

C

S

T

C

P

P

H

H

L

L

G

G

A

A

S

S

T

T

R

K

E

E

A

A

Q

Q

E

S

N

R

V

C

A

G

L

E

Q

E

V

I

A

A

E

V

Q

Q

M

F

A

V

D

D

binding ~{N}-cyclopropyl-2-methyl-5-phenyl-pyrazole-3-carboxamide: G149 (= G154), Y169 (= Y174), D170 (= D175), P171 (= P176), I172 (≠ F177), I173 (≠ L178), T202 (≠ V207), P203 (= P208), L211 (≠ I216)

6cwaA Crystal structure phgdh in complex with nadh and 3-phosphoglycerate at 1.77 a resolution (see paper)
49% identity, 57% coverage: 5:305/531 of query aligns to 1:299/299 of 6cwaA

query
sites
6cwaA

K

R

R

K

V

V

L

L

I

I

S

S

D

D

A

S

L

L

S

D

P

P

A

C

V

R

A

K

I

I

F

L

R

Q

E

D

R

G

G

G

L

L

V

Q

A

V

D

V

L

E

R

K

P

Q

E

N

L

L

G

-

K

-

D

S

K

K

E

E

A

E

L

L

A

I

A

A

A

E

I

L

G

Q

D

D

Y

C

D

E

G

G

L

L

A

I

I

V

R

R

S

S

T

A

T

T

K

K

V

V

T

T

A

A

A

D

L

V

L

I

D

N

K

A

A

A

E

E

R

K

L

L

R

Q

V

V

G

G

R

R

A

A

G

G

I

T

G

G

V

V

D

D

N

N

V

V

D

D

V

L

P

E

A

A

T

T

A

R

R

K

G

G

V

I

I

L

V

V

M

M

N

N

T

T

P

P

H

N

G

G

N
|
N

A

S

V

L

T

S

T
x
A

A

A

E

E

H

L

A

T

I

C

A

G

M

M

M

I

L

M

A

C

L

L

A

A

R

R

E

Q

I

I

P

P

Q

Q

A

A

D

T

A

A

S

S

T

M

Q

K

Q

D

G

G

R

K

W

W

E

E

K

R

N

K

R

K

F

F

L

M

G

G

I

T

E

E

L

L

T

N

A

G

K

K

T

T

L

L

G

G

V

I

I

L

G

G

C

L

G

G

N
x
R

I
|
I

G

G

S

R

I

E

V

V

A

A

D

T

R

R

G

M

I

Q

G

S

L

F

R

G

M

M

R

K

V

T

I

I

A

G

Y
|
Y

D
|
D

P
|
P

F
x
I

L

I

T

S

P

P

E

E

R

V

A

S

I

A

E

S

I

F

G

G

V

V

E

Q

K

Q

V

L

E

P

L

L

D

E

E

E

L

I

L

W

R

P

R

L

A

C

D

D

V

F

I

I

T

T

L

V

H
|
H

V
x
T

P
|
P

L

L

T

L

E

P

K

S

T
|
T

R

T

N

G

I

L

L

L

S

N

A

D

E

N

A

T

L

F

A

A

R

Q

T

C

K

K

P

K

G

G

V

V

R

R

I

V

V

V

N

N

C
|
C

A
|
A

R
|
R

G

G

L

I

V

V

D

D

E

E

A

G

A

A

L

L

R

L

A

R

A

A

L

L

D

Q

R

S

G

G

H

Q

V

C

A

A

G

G

A

A

F

L

D

D

V

V

F

F

S

T

V

E

E

E

P

P

A

P

T

R

E

D

N

R

V

A

L

L

F

V

G

D

H

H

P

E

H

N

V

V

I

I

C

S

T

C

P

P

H
|
H

L

L

G
|
G

A

A

S

S

T

T

R

K

E

E

A

A

Q

Q

E

S

N

R

V

C

A

G

L

E

Q

E

V

I

A

A

E

V

Q

Q

M

F

A

V

D

D

binding 1,4-dihydronicotinamide adenine dinucleotide: N96 (= N102), A100 (≠ T106), R149 (≠ N155), I150 (= I156), Y168 (= Y174), D169 (= D175), P170 (= P176), I171 (≠ F177), H200 (= H206), T201 (≠ V207), P202 (= P208), T207 (= T213), C228 (= C234), A229 (= A235), R230 (= R236), H277 (= H283), G279 (= G285)

6plfA Crystal structure of human phgdh complexed with compound 1 (see paper)
49% identity, 57% coverage: 5:305/531 of query aligns to 3:301/305 of 6plfA

query
sites
6plfA

K

R

R

K

V

V

L

L

I

I

S

S

D

D

A

S

L

L

S

D

P

P

A

C

V

R

A

K

I

I

F

L

R

Q

E

D

R

G

G

G

L

L

V

Q

A

V

D

V

L

E

R

K

P

Q

E

N

L

L

G

-

K

-

D

S

K

K

E

E

A

E

L

L

A

I

A

A

A

E

I

L

G

Q

D

D

Y

C

D

E

G

G

L

L

A

I

I

V

R

R

S

S

T

A

T

T

K

K

V

V

T

T

A

A

A

D

L

V

L

I

D

N

K

A

A

A

E

E

R

K

L

L

R

Q

V

V

G

G

R

R

A

A

G

G

I

T

G

G

V

V

D

D

N

N

V

V

D

D

V

L

P

E

A

A

T

T

A

R

R

K

G

G

V

I

I

L

V

V

M

M

N

N

T

T

P

P

H

N

G

G

N

N

A

S

V

L

T

S

T

A

A

A

E

E

H

L

A

T

I

C

A

G

M

M

M

I

L

M

A

C

L

L

A

A

R

R

E

Q

I

I

P

P

Q

Q

A

A

D

T

A

A

S

S

T

M

Q

K

Q

D

G

G

R

K

W

W

E

E

K

R

N

K

R

K

F

F

L

M

G

G

I

T

E

E

L

L

T

N

A

G

K

K

T

T

L

L

G

G

V

I

I

L

G

G

C

L

G

G

N

R

I

I

G

G

S

R

I

E

V

V

A

A

D

T

R

R

G

M

I

Q

G

S

L

F

R

G

M

M

R

K

V

T

I

I

A

G

Y
|
Y

D
|
D

P
|
P

F

I

L

I

T

S

P

P

E

E

R

V

A

S

I

A

E

S

I

F

G

G

V

V

E

Q

K

Q

V

L

E

P

L
|
L

D

E

E

E

L

I

L

W

R

P

R

L

A

C

D

D

V

F

I

I

T

T

L

V

H
|
H

V
x
T

P
|
P

L

L

T

L

E

P

K

S

T

T

R

T

N

G

I
x
L

L

L

S

N

A

D

E

N

A

T

L

F

A

A

R

Q

T

C

K

K

P

K

G

G

V

V

R

R

I

V

V

V

N

N

C

C

A

A

R

R

G

G

L

I

V

V

D

D

E

E

A

G

A

A

L

L

R

L

A

R

A

A

L

L

D

Q

R

S

G

G

H

Q

V

C

A

A

G

G

A

A

F

L

D

D

V

V

F

F

S

T

V

E

E

E

P

P

A

P

T

R

E

D

N

R

V

A

L

L

F

V

G

D

H

H

P

E

H

N

V

V

I

I

C

S

T

C

P

P

H

H

L

L

G

G

A

A

S

S

T

T

R

K

E

E

A

A

Q

Q

E

S

N

R

V

C

A

G

L

E

Q

E

V

I

A

A

E

V

Q

Q

M

F

A

V

D

D

binding 4-{(1S)-1-[(5-chloro-6-{[(5S)-2-oxo-1,3-oxazolidin-5-yl]methoxy}-1H-indole-2-carbonyl)amino]-2-hydroxyethyl}benzoic acid: Y170 (= Y174), D171 (= D175), P172 (= P176), L189 (= L193), H202 (= H206), T203 (≠ V207), P204 (= P208), L212 (≠ I216)

6plgA Crystal structure of human phgdh complexed with compound 15 (see paper)
49% identity, 57% coverage: 5:305/531 of query aligns to 2:300/303 of 6plgA

query
sites
6plgA

K

R

R

K

V

V

L

L

I

I

S

S

D

D

A

S

L

L

S

D

P

P

A

C

V

R

A

K

I

I

F

L

R

Q

E

D

R

G

G

G

L

L

V

Q

A

V

D

V

L

E

R

K

P

Q

E

N

L

L

G

-

K

-

D

S

K

K

E

E

A

E

L

L

A

I

A

A

A

E

I

L

G

Q

D

D

Y

C

D

E

G

G

L

L

A

I

I

V

R

R

S

S

T

A

T

T

K

K

V

V

T

T

A

A

A

D

L

V

L

I

D

N

K

A

A

A

E

E

R

K

L

L

R

Q

V

V

G

G

R

R

A

A

G

G

I

T

G

G

V

V

D

D

N

N

V

V

D

D

V

L

P

E

A

A

T

T

A

R

R

K

G

G

V

I

I

L

V

V

M

M

N

N

T

T

P

P

H

N

G

G

N

N

A

S

V

L

T

S

T

A

A

A

E

E

H

L

A

T

I

C

A

G

M

M

M

I

L

M

A

C

L

L

A

A

R

R

E

Q

I

I

P

P

Q

Q

A

A

D

T

A

A

S

S

T

M

Q

K

Q

D

G

G

R

K

W

W

E

E

K

R

N

K

R

K

F

F

L

M

G

G

I

T

E

E

L

L

T

N

A

G

K

K

T

T

L

L

G

G

V

I

I

L

G

G

C

L

G
|
G

N
x
R

I

I

G

G

S

R

I

E

V

V

A

A

D

T

R

R

G

M

I

Q

G

S

L

F

R

G

M

M

R

K

V

T

I

I

A

G

Y

Y

D
|
D

P
|
P

F
x
I

L
x
I

T

S

P

P

E

E

R

V

A

S

I

A

E

S

I

F

G

G

V

V

E

Q

K

Q

V

L

E

P

L

L

D

E

E

E

L

I

L

W

R

P

R

L

A

C

D

D

V

F

I

I

T

T

L

V

H
|
H

V
x
T

P

P

L

L

T
x
L

E

P

K

S

T

T

R

T

N

G

I

L

L

L

S

N

A

D

E

N

A

T

L

F

A

A

R

Q

T

C

K

K

P

K

G

G

V

V

R

R

I

V

V

V

N

N

C

C

A

A

R

R

G

G

L

I

V

V

D

D

E

E

A

G

A

A

L

L

R

L

A

R

A

A

L

L

D

Q

R

S

G

G

H

Q

V

C

A

A

G

G

A

A

F

L

D

D

V

V

F

F

S

T

V

E

E

E

P

P

A

P

T

R

E

D

N

R

V

A

L

L

F

V

G

D

H

H

P

E

H

N

V

V

I

I

C

S

T

C

P

P

H

H

L

L

G

G

A

A

S

S

T

T

R

K

E

E

A

A

Q

Q

E

S

N

R

V

C

A

G

L

E

Q

E

V

I

A

A

E

V

Q

Q

M

F

A

V

D

D

binding (2S)-(4-{3-[(4,5-dichloro-1-methyl-1H-indole-2-carbonyl)amino]oxetan-3-yl}phenyl)(pyridin-3-yl)acetic acid: G149 (= G154), R150 (≠ N155), D170 (= D175), P171 (= P176), I172 (≠ F177), I173 (≠ L178), H201 (= H206), T202 (≠ V207), L205 (≠ T210)

7dkmA Phgdh covalently linked to oridonin (see paper)
49% identity, 57% coverage: 5:305/531 of query aligns to 3:301/306 of 7dkmA

query
sites
7dkmA

K

R

R

K

V

V

L

L

I

I

S

S

D

D

A

S

L

L

S

D

P

P

A
x
C

A

C

V

R

A
x
K

I
|
I

F

L

R

Q

E

D

R

G

G

G

L

L

V

Q

A

V

D

V

L

E

R

K

P

Q

E

N

L

L

G

-

K

-

D

S

K

K

E

E

A

E

L

L

A

I

A

A

A

E

I

L

G

Q

D

D

Y

C

D

E

G

G

L

L

A

I

I

V

R

R

S

S

T

A

T

T

K

K

V

V

T

T

A

A

A

D

L

V

L

I

D

N

K

A

A

A

E

E

R

K

L

L

R

Q

V

V

G

G

R

R

A

A

G

G

I
x
T

G

G

V

V

D

D

N

N

V

V

D

D

V

L

P

E

A

A

T

T

A

R

R

K

G

G

V

I

I

L

V

V

M

M

N

N

T

T

P

P

H

N

G

G

N

N

A

S

V

L

T

S

T
x
A

A

A

E

E

H

L

A

T

I

C

A

G

M

M

M

I

L

M

A

C

L

L

A

A

R

R

E

Q

I

I

P

P

Q

Q

A

A

D

T

A

A

S

S

T

M

Q

K

Q

D

G

G

R

K

W

W

E

E

K

R

N

K

R

K

F

F

L

M

G

G

I

T

E

E

L

L

T

N

A

G

K

K

T

T

L

L

G

G

V

I

I

L

G
|
G

C

L

G

G

N
x
R

I
|
I

G

G

S

R

I

E

V

V

A

A

D

T

R

R

G

M

I

Q

G

S

L

F

R

G

M

M

R

K

V

T

I

I

A

G

Y
|
Y

D
|
D

P
|
P

F
x
I

L

I

T

S

P

P

E

E

R

V

A

S

I

A

E

S

I

F

G

G

V

V

E

Q

K

Q

V

L

E

P

L

L

D

E

E

E

L

I

L

W

R

P

R

L

A

C

D

D

V

F

I

I

T

T

L

V

H
|
H

V
x
T

P
|
P

L

L

T

L

E

P

K

S

T
|
T

R

T

N

G

I

L

L

L

S

N

A

D

E

N

A

T

L

F

A

A

R

Q

T

C

K

K

P

K

G

G

V

V

R

R

I

V

V

V

N

N

C
|
C

A
|
A

R
|
R

G

G

L

I

V

V

D

D

E

E

A

G

A

A

L

L

R

L

A

R

A

A

L

L

D

Q

R

S

G

G

H

Q

V

C

A

A

G

G

A

A

F

L

D

D

V

V

F

F

S

T

V

E

E

E

P

P

A

P

T

R

E

D

N

R

V

A

L

L

F

V

G

D

H

H

P

E

H

N

V

V

I

I

C

S

T

C

P

P

H
|
H

L

L

G
|
G

A

A

S

S

T

T

R

K

E

E

A

A

Q

Q

E

S

N

R

V

C

A

G

L
x
E

Q

E

V

I

A

A

E

V

Q

Q

M

F

A

V

D

D

binding nicotinamide-adenine-dinucleotide: T74 (≠ I78), A102 (≠ T106), G148 (= G152), R151 (≠ N155), I152 (= I156), Y170 (= Y174), D171 (= D175), P172 (= P176), I173 (≠ F177), H202 (= H206), T203 (≠ V207), P204 (= P208), T209 (= T213), C230 (= C234), A231 (= A235), R232 (= R236), H279 (= H283), G281 (= G285)
binding (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one: C14 (≠ A16), K17 (≠ A19), I18 (= I20), E293 (≠ L297)

6rj2A Crystal structure of phgdh in complex with compound 40 (see paper)
49% identity, 56% coverage: 7:305/531 of query aligns to 1:297/299 of 6rj2A

query
sites
6rj2A

V

V

L

L

I

I

S

S

D

D

A

S

L

L

S

D

P

P

A

C

V

R

A

K

I

I

F

L

R

Q

E

D

R

G

G

G

L

L

V

Q

A

V

D

V

L

E

R

K

P

Q

E

N

L

L

G

-

K

-

D

S

K

K

E

E

A

E

L

L

A

I

A

A

A

E

I

L

G

Q

D

D

Y

C

D

E

G

G

L

L

A

I

I

V

R

R

S

S

T

A

T

T

K

K

V

V

T

T

A

A

A

D

L

V

L

I

D

N

K

A

A

A

E

E

R

K

L

L

R

Q

V

V

G

G

R

R

A

A

G

G

I

T

G

G

V

V

D

D

N

N

V

V

D

D

V

L

P

E

A

A

T

T

A

R

R

K

G

G

V

I

I

L

V

V

M

M

N

N

T

T

P

P

H

N

G

G

N

N

A

S

V

L

T

S

T

A

A

A

E

E

H

L

A

T

I

C

A

G

M

M

M

I

L

M

A

C

L

L

A

A

R

R

E

Q

I

I

P

P

Q

Q

A

A

D

T

A

A

S

S

T

M

Q

K

Q

D

G

G

R

K

W

W

E

E

K

R

N

K

R

K

F

F

L

M

G

G

I

T

E

E

L

L

T

N

A

G

K

K

T

T

L

L

G

G

V

I

I

L

G

G

C

L

G
|
G

N

R

I
|
I

G

G

S

R

I

E

V

V

A

A

D

T

R

R

G

M

I

Q

G

S

L

F

R

G

M

M

R

K

V

T

I

I

A

G

Y
|
Y

D
|
D

P
|
P

F
x
I

L
x
I

T

S

P

P

E

E

R

V

A

S

I

A

E

S

I

F

G

G

V

V

E

Q

K

Q

V

L

E

P

L

L

D

E

E

E

L

I

L

W

R

P

R

L

A

C

D

D

V

F

I

I

T

T

L

V

H
|
H

V
x
T

P

P

L

L

T

L

E

P

K

S

T

T

R

T

N

G

I
x
L

L

L

S

N

A

D

E

N

A

T

L

F

A

A

R

Q

T

C

K

K

P

K

G

G

V

V

R

R

I

V

V

V

N

N

C

C

A

A

R
|
R

G

G

L

I

V

V

D

D

E

E

A

G

A

A

L

L

R

L

A

R

A

A

L

L

D

Q

R

S

G

G

H

Q

V

C

A

A

G

G

A

A

F

L

D

D

V

V

F

F

S

T

V

E

E

E

P

P

A

P

T

R

E

D

N

R

V

A

L

L

F

V

G

D

H

H

P

E

H

N

V

V

I

I

C

S

T

C

P

P

H

H

L

L

G

G

A

A

S

S

T

T

R

K

E

E

A

A

Q

Q

E

S

N

R

V

C

A

G

L

E

Q

E

V

I

A

A

E

V

Q

Q

M

F

A

V

D

D

binding ~{N}-[(1~{R})-1-[4-(ethanoylsulfamoyl)phenyl]ethyl]-2-methyl-5-phenyl-pyrazole-3-carboxamide: G146 (= G154), I148 (= I156), Y166 (= Y174), D167 (= D175), P168 (= P176), I169 (≠ F177), I170 (≠ L178), H198 (= H206), T199 (≠ V207), L208 (≠ I216), R228 (= R236)

6rj3A Crystal structure of phgdh in complex with compound 15 (see paper)
48% identity, 56% coverage: 5:303/531 of query aligns to 1:297/297 of 6rj3A

query
sites
6rj3A

K

R

R

K

V

V

L

L

I

I

S

S

D

D

A

S

L

L

S

D

P

P

A

C

V

R

A

K

I

I

F

L

R

Q

E

D

R

G

G

G

L

L

V

Q

A

V

D

V

L

E

R

K

P

Q

E

N

L

L

G

-

K

-

D

S

K

K

E

E

A

E

L

L

A

I

A

A

A

E

I

L

G

Q

D

D

Y

C

D

E

G

G

L

L

A

I

I

V

R

R

S

S

T

A

T

T

K

K

V

V

T

T

A

A

A

D

L

V

L

I

D

N

K

A

A

A

E

E

R

K

L

L

R

Q

V

V

G

G

R

R

A

A

G

G

I

T

G

G

V

V

D

D

N

N

V

V

D

D

V

L

P

E

A

A

T

T

A

R

R

K

G

G

V

I

I

L

V

V

M

M

N

N

T

T

P

P

H

N

G

G

N

N

A

S

V

L

T

S

T

A

A

A

E

E

H

L

A

T

I

C

A

G

M

M

M

I

L

M

A

C

L

L

A

A

R

R

E

Q

I

I

P

P

Q

Q

A

A

D

T

A

A

S

S

T

M

Q

K

Q

D

G

G

R

K

W

W

E

E

K

R

N

K

R

K

F

F

L

M

G

G

I

T

E

E

L

L

T

N

A

G

K

K

T

T

L

L

G

G

V

I

I
x
L

G

G

C

L

G

G

N

R

I

I

G

G

S

R

I

E

V

V

A

A

D

T

R

R

G

M

I

Q

G

S

L

F

R

G

M

M

R

K

V

T

I

I

A

G

Y
|
Y

D
|
D

P
|
P

F
x
I

L
x
I

T

S

P

P

E

E

R

V

A

S

I

A

E

S

I

F

G

G

V

V

E

Q

K

Q

V

L

E

P

L

L

D

E

E

E

L

I

L

W

R

P

R

L

A

C

D

D

V

F

I

I

T

T

L

V

H
|
H

V
x
T

P
|
P

L

L

T

L

E

P

K

S

T

T

R

T

N

G

I
x
L

L

L

S

N

A

D

E

N

A

T

L

F

A

A

R

Q

T

C

K

K

P

K

G

G

V

V

R

R

I

V

V

V

N

N

C

C

A

A

R

R

G

G

L

I

V

V

D

D

E

E

A

G

A

A

L

L

R

L

A

R

A

A

L

L

D

Q

R

S

G

G

H

Q

V

C

A

A

G

G

A

A

F

L

D

D

V

V

F

F

S

T

V

E

E

E

P

P

A

P

T

R

E

D

N

R

V

A

L

L

F

V

G

D

H

H

P

E

H

N

V

V

I

I

C

S

T

C

P

P

H

H

L

L

G

G

A

A

S

S

T

T

R

K

E

E

A

A

Q

Q

E

S

N

R

V

C

A

G

L

E

Q

E

V

I

A

A

E

V

Q

Q

M

F

binding 4-[(1~{R})-1-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]ethyl]benzoic acid: L145 (≠ I151), Y168 (= Y174), D169 (= D175), P170 (= P176), I171 (≠ F177), I172 (≠ L178), H200 (= H206), T201 (≠ V207), P202 (= P208), L210 (≠ I216)

6plfB Crystal structure of human phgdh complexed with compound 1 (see paper)
46% identity, 57% coverage: 5:305/531 of query aligns to 1:291/292 of 6plfB

query
sites
6plfB

K

R

R

K

V

V

L

L

I

I

S

S

D

D

A

S

L

L

S

D

P

P

A

C

V

R

A

K

I

I

F

L

R

Q

E

D

R

G

G

G

L

L

V

-

A

-

D

-

L

-

R

-

P

-

E

Q

L

V

G

V

K

E

D

K

K

Q

E

N

A

L

L

L

A

I

A

A

A

E

I

L

G

Q

D

D

Y

C

D

E

G

G

L

L

A

I

I

V

R

R

S

S

T

A

K

D

V

V

T

-

A

-

L

-

L

I

D

N

K

A

A

A

E

E

R

K

L

L

R

Q

V

V

G

G

R

R

A

A

G

G

I

T

G

G

V

V

D

D

N

N

V

V

D

D

V

L

P

E

A

A

T

T

A

R

R

K

G

G

V

I

I

L

V

V

M

M

N

N

T

T

P

P

H

N

G

G

N

N

A

S

V

L

T

S

T

A

A

A

E

E

H

L

A

T

I

C

A

G

M

M

M

I

L

M

A

C

L

L

A

A

R

R

E

Q

I

I

P

P

Q

Q

A

A

D

T

A

A

S

S

T

M

Q

K

Q

D

G

G

R

K

W

W

E

E

K

R

N

K

R

K

F

F

L

M

G

G

I

T

E

E

L

L

T

N

A

G

K

K

T

T

L

L

G

G

V

I

I

L

G

G

C

L

G

G

N
x
R

I

I

G

G

S

R

I

E

V

V

A

A

D

T

R

R

G

M

I

Q

G

S

L

F

R

G

M

M

R

K

V

T

I

I

A

G

Y
|
Y

D
|
D

P
|
P

F

I

L
x
I

T

S

P

P

E

E

R

V

A

S

I

A

E

S

I

F

G

G

V

V

E

Q

K

Q

V

L

E

P

L
|
L

D

E

E

E

L

I

L

W

R

P

R

L

A

C

D

D

V

F

I

I

T

T

L

V

H

H

V
x
T

P
|
P

L

L

T

L

E

P

K
x
S

T

T

R

T

N

G

I
x
L

L

L

S

N

A

D

E

N

A

T

L

F

A

A

R

Q

T

C

K

K

P

K

G

G

V

V

R

R

I

V

V

V

N

N

C

C

A

A

R

R

G

G

L

I

V

V

D

D

E

E

A

G

A

A

L

L

R

L

A

R

A

A

L

L

D

Q

R

S

G

G

H

Q

V

C

A

A

G

G

A

A

F

L

D

D

V

V

F

F

S

T

V

E

E

E

P

P

A

P

T

R

E

D

N

R

V

A

L

L

F

V

G

D

H

H

P

E

H

N

V

V

I

I

C

S

T

C

P

P

H

H

L

L

G

G

A

A

S

S

T

T

R

K

E

E

A

A

Q

Q

E

S

N

R

V

C

A

G

L

E

Q

E

V

I

A

A

E

V

Q

Q

M

F

A

V

D

D

binding 4-{(1S)-1-[(5-chloro-6-{[(5S)-2-oxo-1,3-oxazolidin-5-yl]methoxy}-1H-indole-2-carbonyl)amino]-2-hydroxyethyl}benzoic acid: R141 (≠ N155), Y160 (= Y174), D161 (= D175), P162 (= P176), I164 (≠ L178), L179 (= L193), T193 (≠ V207), P194 (= P208), S198 (≠ K212), L202 (≠ I216)

7cvpA The crystal structure of human phgdh from biortus.
45% identity, 49% coverage: 47:305/531 of query aligns to 21:254/254 of 7cvpA

query
sites
7cvpA

D

D

Y

C

D

E

G

G

L

L

A

I

I

V

R

R

S

S

T

-