SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_028313366.1 NCBI__GCF_000429905.1:WP_028313366.1 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)
33% identity, 99% coverage: 1:322/326 of query aligns to 1:305/533 of O43175

query
sites
O43175

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M1 (= M1) modified: Initiator methionine, Removed
A2 (≠ S2) modified: N-acetylalanine
T78 (= T79) binding NAD(+)
R135 (= R141) 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 (≠ RL 162:163) binding NAD(+)
D175 (= D182) binding NAD(+)
T207 (≠ I213) binding NAD(+)
CAR 234:236 (≠ TSR 240:242) binding NAD(+)
D260 (= D266) binding NAD(+)
V261 (= V267) 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 (≠ HIGG 300:303) binding NAD(+)

Sites not aligning to the query:

373 A → T: in PHGDHD; results in almost undetectable enzyme activity with 3-phosphohydroxypyruvate; dbSNP:rs201553627
377 G → S: in PHGDHD; results in a 2-fold decrease in enzyme activity with 3-phosphohydroxypyruvate, but no change in substrate affinity; dbSNP:rs267606948
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

6plfA Crystal structure of human phgdh complexed with compound 1 (see paper)
34% identity, 93% coverage: 20:322/326 of query aligns to 13:301/305 of 6plfA

query
sites
6plfA

P

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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 (= Y181), D171 (= D182), P172 (= P183), L189 (= L199), H202 (= H212), T203 (≠ I213), P204 (= P214), L212 (= L222)

6rj2A Crystal structure of phgdh in complex with compound 40 (see paper)
34% identity, 93% coverage: 20:322/326 of query aligns to 9:297/299 of 6rj2A

query
sites
6rj2A

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binding ~{N}-[(1~{R})-1-[4-(ethanoylsulfamoyl)phenyl]ethyl]-2-methyl-5-phenyl-pyrazole-3-carboxamide: G146 (= G161), I148 (≠ L163), Y166 (= Y181), D167 (= D182), P168 (= P183), I169 (≠ F184), I170 (≠ V185), H198 (= H212), T199 (≠ I213), L208 (= L222), R228 (= R242)

7dkmA Phgdh covalently linked to oridonin (see paper)
34% identity, 93% coverage: 20:322/326 of query aligns to 13:301/306 of 7dkmA

query
sites
7dkmA

P

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D

H

E

D

G

A

A

L

L

K

R

A

A

L

L

E

Q

S

S

G

G

K

Q

L

C

A

A

G

G

A

A

V

L

D

D

V

V

L

F

D

T

G

-

E

E

F

E

D

P

P

P

D

R

F

-

G

-

S

-

K

-

V

-

L

-

D

D

Q

R

P

A

L

L

V

V

K

-

Y

-

A

-

Q

-

E

D

H

H

D

E

N

N

L

V

I

I

I

S

T

C

P

P

H
|
H

I

L

G
|
G

G

A

S

S

T

T

L

K

D

E

A

A

W

Q

S

S

L

R

T

C

Q

G

E
|
E

Y

E

T

I

I

A

A

V

K

Q

I

F

I

V

E

D

binding nicotinamide-adenine-dinucleotide: T74 (= T79), A102 (≠ T112), G148 (= G159), R151 (= R162), I152 (≠ L163), Y170 (= Y181), D171 (= D182), P172 (= P183), I173 (≠ F184), H202 (= H212), T203 (≠ I213), P204 (= P214), T209 (= T219), C230 (≠ T240), A231 (≠ S241), R232 (= R242), H279 (= H300), G281 (= G302)
binding (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one: C14 (≠ A21), K17 (= K24), I18 (≠ L25), E293 (= E314)

6plgA Crystal structure of human phgdh complexed with compound 15 (see paper)
34% identity, 93% coverage: 20:322/326 of query aligns to 12:300/303 of 6plgA

query
sites
6plgA

P

P

A

C

E

R

K

K

L

I

M

L

T

Q

D

D

N

G

-

G

F

L

R

Q

V

V

I

V

I

E

L

K

E

Q

N

N

-

L

-

S

P

K

E

E

L

L

K

I

P

A

V

E

V

L

M

Q

D

D

R

-

A

C

E

E

V

G

L

L

L

I

A

V

P

R

L

S

G

A

Y

T

Y

K

L

V

G

T

K

A

E

D

I

V

M

I

D

N

A

A

C

A

P

E

K

K

L

L

R

Q

A

V

I

V

G

G

S

R

N

A

T

G

T

T

G

G

H

V

P

D

H

N

I

V

D

D

V

L

D

E

Y

A

A

A

R

T

E

R

K

K

G

G

V

I

K

L

V

V

V

M

T

N

L

T

K

P

D

N

H

G

Q

N

D

S

F

L

L

-

D

-

T

-

I

-

T

-

P

S

T

A

A

A

E

E

L

L

T

T

W

C

G

G

L

M

I

I

I

M

A

C

L

L

T

A

R

R

N

Q

I

I

V

P

P

Q

G

A

F

T

K

A

S

S

V

M

L

K

D

D

G

G

Q

K

W

W

A

E

R

R

W

K

P

K

F

F

G

M

G

G

K

T

A

E

M

-

L

L

S

N

R

G

M

K

S

T

L

L

G

G

V

I

A

L

G

G

L

L

G
|
G

R
|
R

L

I

G

G

K

R

L

E

T

V

A

A

S

T

Y

R

G

M

V

Q

A

S

F

F

G

G

M

M

D

K

V

T

K

I

Y

G

Y

Y

D
|
D

P
|
P

F
x
I

V
x
I

-

S

-

P

E

E

K

V

S

S

P

A

V

S

D

F

G

G

I

V

T

Q

K

Q

L

L

S

P

S

-

L

L

E

E

L

I

V

W

E

P

S

L

S

C

D

D

I

F

V

I

T

T

I

V

H
|
H

I
x
T

P

P

H

L

E
x
L

P

P

E

S

T

T

E

T

N

G

L

L

F

L

S

N

A

D

E

N

M

T

F

F

E

A

K

Q

F

C

K

K

D

K

G

G

A

V

F

R

F

V

V

V

N

N

T

C

S

A

R

R

G

G

E

G

L

I

V

V

D

D

H

E

D

G

A

A

L

L

K

R

A

A

L

L

E

Q

S

S

G

G

K

Q

L

C

A

A

G

G

A

A

V

L

D

D

V

V

L

F

D

T

G

-

E

E

F

E

D

P

P

P

D

R

F

-

G

-

S

-

K

-

V

-

L

-

D

D

Q

R

P

A

L

L

V

V

K

-

Y

-

A

-

Q

-

E

D

H

H

D

E

N

N

L

V

I

I

I

S

T

C

P

P

H

H

I

L

G

G

G

A

S

S

T

T

L

K

D

E

A

A

W

Q

S

S

L

R

T

C

Q

G

E

E

Y

E

T

I

I

A

A

V

K

Q

I

F

I

V

E

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 (= G161), R150 (= R162), D170 (= D182), P171 (= P183), I172 (≠ F184), I173 (≠ V185), H201 (= H212), T202 (≠ I213), L205 (≠ E216)

6rj5A Crystal structure of phgdh in complex with compound 39 (see paper)
34% identity, 93% coverage: 20:322/326 of query aligns to 12:300/301 of 6rj5A

query
sites
6rj5A

P

P

A

C

E

R

K

K

L

I

M

L

T

Q

D

D

N

G

-

G

F

L

R

Q

V

V

I

V

I

E

L

K

E

Q

N

N

-

L

-

S

P

K

E

E

L

L

K

I

P

A

V

E

V

L

M

Q

D

D

R

-

A

C

E

E

V

G

L

L

L

I

A

V

P

R

L

S

G

A

Y

T

Y

K

L

V

G

T

K

A

E

D

I

V

M

I

D

N

A

A

C

A

P

E

K

K

L

L

R

Q

A

V

I

V

G

G

S

R

N

A

T

G

T

T

G

G

H

V

P

D

H

N

I

V

D

D

V

L

D

E

Y

A

A

A

R

T

E

R

K

K

G

G

V

I

K

L

V

V

V

M

T

N

L

T

K

P

D

N

H

G

Q

N

D

S

F

L

L

-

D

-

T

-

I

-

T

-

P

S

T

A

A

A

E

E

L

L

T

T

W

C

G

G

L

M

I

I

I

M

A

C

L

L

T

A

R

R

N

Q

I

I

V

P

P

Q

G

A

F

T

K

A

S

S

V

M

L

K

D

D

G

G

Q

K

W

W

A

E

R

R

W

K

P

K

F

F

G

M

G

G

K

T

A

E

M

-

L

L

S

N

R

G

M

K

S

T

L

L

G

G

V

I

A
x
L

G

G

L

L

G

G

R

R

L

I

G

G

K

R

L

E

T

V

A

A

S

T

Y

R

G

M

V

Q

A

S

F

F

G

G

M

M

D

K

V

T

K

I

Y

G

Y
|
Y

D
|
D

P
|
P

F

I

V
x
I

-

S

-

P

E

E

K

V

S

S

P

A

V

S

D

F

G

G

I

V

T

Q

K

Q

L

L

S

P

S

-

L

L

E

E

L

I

V

W

E

P

S

L

S

C

D

D

I

F

V

I

T

T

I

V

H
|
H

I
x
T

P
|
P

H

L

E

L

P

P

E

S

T

T

E

T

N

G

L
|
L

F

L

S

N

A

D

E

N

M

T

F

F

E

A

K

Q

F

C

K

K

D

K

G

G

A

V

F

R

F

V

V

V

N

N

T

C

S

A

R

R

G

G

E

G

L

I

V

V

D

D

H

E

D

G

A

A

L

L

K

R

A

A

L

L

E

Q

S

S

G

G

K

Q

L

C

A

A

G

G

A

A

V

L

D

D

V

V

L

F

D

T

G

-

E

E

F

E

D

P

P

P

D

R

F

-

G

-

S

-

K

-

V

-

L

-

D

D

Q

R

P

A

L

L

V

V

K

-

Y

-

A

-

Q

-

E

D

H

H

D

E

N

N

L

V

I

I

I

S

T

C

P

P

H

H

I

L

G

G

G

A

S

S

T

T

L

K

D

E

A

A

W

Q

S

S

L

R

T

C

Q

G

E

E

Y

E

T

I

I

A

A

V

K

Q

I

F

I

V

E

D

binding 2-methyl-~{N}-[(1~{R})-1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-5-phenyl-pyrazole-3-carboxamide: L146 (≠ A158), Y169 (= Y181), D170 (= D182), P171 (= P183), I173 (≠ V185), H201 (= H212), T202 (≠ I213), P203 (= P214), L211 (= L222)

7ewhA Crystal structure of human phgdh in complex with homoharringtonine (see paper)
34% identity, 93% coverage: 20:322/326 of query aligns to 12:300/302 of 7ewhA

query
sites
7ewhA

P

P

A

C

E

R

K

K

L

I

M

L

T

Q

D

D

N

G

-

G

F

L

R

Q

V

V

I

V

I

E

L

K

E

Q

N

N

-

L

-

S

P

K

E

E

L

L

K

I

P

A

V

E

V

L

M

Q

D

D

R

-

A

C

E

E

V

G

L

L

L

I

A

V

P

R

L

S

G

A

Y

T

Y

K

L

V

G

T

K

A

E

D

I

V

M

I

D

N

A

A

C

A

P

E

K

K

L

L

R

Q

A

V

I

V

G

G

S

R

N

A

T

G

T

T

G

G

H

V

P

D

H

N

I

V

D

D

V

L

D

E

Y

A

A

A

R

T

E

R

K

K

G

G

V

I

K

L

V

V

V

M

T

N

L

T

K

P

D

N

H

G

Q

N

D

S

F

L

L

-

D

-

T

-

I

-

T

-

P

S

T

A

A

A

E

E

L

L

T

T

W

C

G

G

L

M

I

I

I

M

A

C

L

L

T

A

R

R

N

Q

I

I

V

P

P

Q

G

A

F

T

K

A

S

S

V

M

L

K

D

D

G

G

Q

K

W

W

A

E

R

R

W

K

P

K

F

F

G

M

G

G

K

T

A

E

M

-

L

L

S

N

R

G

M

K

S

T

L

L

G

G

V

I

A
x
L

G
|
G

L
|
L

G
|
G

R
|
R

L
x
I

G
|
G

K

R

L

E

T

V

A

A

S

T

Y

R

G

M

V

Q

A

S

F

F

G

G

M

M

D

K

V

T

K

I

Y

G

Y

Y

D
|
D

P

P

F

I

V

I

-

S

-

P

E

E

K

V

S

S

P

A

V

S

D

F

G

G

I

V

T

Q

K

Q

L

L

S

P

S

-

L

L

E

E

L

I

V

W

E

P

S

L

S

C

D

D

I

F

V

I

T

T

I

V

H
|
H

I
x
T

P
|
P

H

L

E

L

P

P

E

S

T

T

E

T

N

G

L

L

F

L

S

N

A

D

E

N

M

T

F

F

E

A

K

Q

F

C

K

K

D

K

G

G

A

V

F

R

F

V

V

V

N

N

T

C

S

A

R

R

G

G

E

G

L

I

V

V

D

D

H

E

D

G

A

A

L

L

K

R

A

A

L

L

E

Q

S

S

G

G

K

Q

L

C

A

A

G

G

A

A

V

L

D

D

V

V

L

F

D

T

G

-

E

E

F

E

D

P

P

P

D

R

F

-

G

-

S

-

K

-

V

-

L

-

D

D

Q

R

P

A

L

L

V

V

K

-

Y

-

A

-

Q

-

E

D

H

H

D

E

N

N

L

V

I

I

I

S

T

C

P

P

H

H

I

L

G

G

G

A

S

S

T

T

L

K

D

E

A

A

W

Q

S

S

L

R

T

C

Q

G

E

E

Y

E

T

I

I

A

A

V

K

Q

I

F

I

V

E

D

binding (3beta)-O~3~-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine: L146 (≠ A158), G147 (= G159), L148 (= L160), G149 (= G161), R150 (= R162), I151 (≠ L163), G152 (= G164), D170 (= D182), H201 (= H212), T202 (≠ I213), P203 (= P214)

6rihA Crystal structure of phgdh in complex with compound 9 (see paper)
34% identity, 93% coverage: 20:322/326 of query aligns to 12:300/302 of 6rihA

query
sites
6rihA

P

P

A

C

E

R

K

K

L

I

M

L

T

Q

D

D

N

G

-

G

F

L

R

Q

V

V

I

V

I

E

L

K

E

Q

N

N

-

L

-

S

P

K

E

E

L

L

K

I

P

A

V

E

V

L

M

Q

D

D

R

-

A

C

E

E

V

G

L

L

L

I

A

V

P

R

L

S

G

A

Y

T

Y

K

L

V

G

T

K

A

E

D

I

V

M

I

D

N

A

A

C

A

P

E

K

K

L

L

R

Q

A

V

I

V

G

G

S

R

N

A

T

G

T

T

G

G

H

V

P

D

H

N

I

V

D

D

V

L

D

E

Y

A

A

A

R

T

E

R

K

K

G

G

V

I

K

L

V

V

V

M

T

N

L

T

K

P

D

N

H

G

Q

N

D

S

F

L

L

-

D

-

T

-

I

-

T

-

P

S

T

A

A

A

E

E

L

L

T

T

W

C

G

G

L

M

I

I

I

M

A

C

L

L

T

A

R

R

N

Q

I

I

V

P

P

Q

G

A

F

T

K

A

S

S

V

M

L

K

D

D

G

G

Q

K

W

W

A

E

R

R

W

K

P

K

F

F

G

M

G

G

K

T

A

E

M

-

L

L

S

N

R

G

M

K

S

T

L

L

G

G

V

I

A

L

G

G

L

L

G
|
G

R

R

L

I

G

G

K

R

L

E

T

V

A

A

S

T

Y

R

G

M

V

Q

A

S

F

F

G

G

M

M

D

K

V

T

K

I

Y

G

Y
|
Y

D
|
D

P
|
P

F
x
I

V
x
I

-

S

-

P

E

E

K

V

S

S

P

A

V

S

D

F

G

G

I

V

T

Q

K

Q

L

L

S

P

S

-

L

L

E

E

L

I

V

W

E

P

S

L

S

C

D

D

I

F

V

I

T

T

I

V

H

H

I
x
T

P
|
P

H

L

E

L

P

P

E

S

T

T

E

T

N

G

L
|
L

F

L

S

N

A

D

E

N

M

T

F

F

E

A

K

Q

F

C

K

K

D

K

G

G

A

V

F

R

F

V

V

V

N

N

T

C

S

A

R

R

G

G

E

G

L

I

V

V

D

D

H

E

D

G

A

A

L

L

K

R

A

A

L

L

E

Q

S

S

G

G

K

Q

L

C

A

A

G

G

A

A

V

L

D

D

V

V

L

F

D

T

G

-

E

E

F

E

D

P

P

P

D

R

F

-

G

-

S

-

K

-

V

-

L

-

D

D

Q

R

P

A

L

L

V

V

K

-

Y

-

A

-

Q

-

E

D

H

H

D

E

N

N

L

V

I

I

I

S

T

C

P

P

H

H

I

L

G

G

G

A

S

S

T

T

L

K

D

E

A

A

W

Q

S

S

L

R

T

C

Q

G

E

E

Y

E

T

I

I

A

A

V

K

Q

I

F

I

V

E

D

binding ~{N}-cyclopropyl-2-methyl-5-phenyl-pyrazole-3-carboxamide: G149 (= G161), Y169 (= Y181), D170 (= D182), P171 (= P183), I172 (≠ F184), I173 (≠ V185), T202 (≠ I213), P203 (= P214), L211 (= L222)

6rj3A Crystal structure of phgdh in complex with compound 15 (see paper)
35% identity, 90% coverage: 20:314/326 of query aligns to 11:291/297 of 6rj3A

query
sites
6rj3A

P

P

A

C

E

R

K

K

L

I

M

L

T

Q

D

D

N

G

-

G

F

L

R

Q

V

V

I

V

I

E

L

K

E

Q

N

N

-

L

-

S

P

K

E

E

L

L

K

I

P

A

V

E

V

L

M

Q

D

D

R

-

A

C

E

E

V

G

L

L

L

I

A

V

P

R

L

S

G

A

Y

T

Y

K

L

V

G

T

K

A

E

D

I

V

M

I

D

N

A

A

C

A

P

E

K

K

L

L

R

Q

A

V

I

V

G

G

S

R

N

A

T

G

T

T

G

G

H

V

P

D

H

N

I

V

D

D

V

L

D

E

Y

A

A

A

R

T

E

R

K

K

G

G

V

I

K

L

V

V

V

M

T

N

L

T

K

P

D

N

H

G

Q

N

D

S

F

L

L

-

D

-

T

-

I

-

T

-

P

S

T

A

A

A

E

E

L

L

T

T

W

C

G

G

L

M

I

I

I

M

A

C

L

L

T

A

R

R

N

Q

I

I

V

P

P

Q

G

A

F

T

K

A

S

S

V

M

L

K

D

D

G

G

Q

K

W

W

A

E

R

R

W

K

P

K

F

F

G

M

G

G

K

T

A

E

M

-

L

L

S

N

R

G

M

K

S

T

L

L

G

G

V

I

A
x
L

G

G

L

L

G

G

R

R

L

I

G

G

K

R

L

E

T

V

A

A

S

T

Y

R

G

M

V

Q

A

S

F

F

G

G

M

M

D

K

V

T

K

I

Y

G

Y
|
Y

D
|
D

P
|
P

F
x
I

V
x
I

-

S

-

P

E

E

K

V

S

S

P

A

V

S

D

F

G

G

I

V

T

Q

K

Q

L

L

S

P

S

-

L

L

E

E

L

I

V

W

E

P

S

L

S

C

D

D

I

F

V

I

T

T

I

V

H
|
H

I
x
T

P
|
P

H

L

E

L

P

P

E

S

T

T

E

T

N

G

L
|
L

F

L

S

N

A

D

E

N

M

T

F

F

E

A

K

Q

F

C

K

K

D

K

G

G

A

V

F

R

F

V

V

V

N

N

T

C

S

A

R

R

G

G

E

G

L

I

V

V

D

D

H

E

D

G

A

A

L

L

K

R

A

A

L

L

E

Q

S

S

G

G

K

Q

L

C

A

A

G

G

A

A

V

L

D

D

V

V

L

F

D

T

G

-

E

E

F

E

D

P

P

P

D

R

F

-

G

-

S

-

K

-

V

-

L

-

D

D

Q

R

P

A

L

L

V

V

K

-

Y

-

A

-

Q

-

E

D

H

H

D

E

N

N

L

V

I

I

I

S

T

C

P

P

H

H

I

L

G

G

G

A

S

S

T

T

L

K

D

E

A

A

W

Q

S

S

L

R

T

C

Q

G

E

E

binding 4-[(1~{R})-1-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]ethyl]benzoic acid: L145 (≠ A158), Y168 (= Y181), D169 (= D182), P170 (= P183), I171 (≠ F184), I172 (≠ V185), H200 (= H212), T201 (≠ I213), P202 (= P214), L210 (= L222)

6cwaA Crystal structure phgdh in complex with nadh and 3-phosphoglycerate at 1.77 a resolution (see paper)
34% identity, 93% coverage: 20:322/326 of query aligns to 11:299/299 of 6cwaA

query
sites
6cwaA

P

P

A

C

E

R

K

K

L

I

M

L

T

Q

D

D

N

G

-

G

F

L

R

Q

V

V

I

V

I

E

L

K

E

Q

N

N

-

L

-

S

P

K

E

E

L

L

K

I

P

A

V

E

V

L

M

Q

D

D

R

-

A

C

E

E

V

G

L

L

L

I

A

V

P

R

L

S

G

A

Y

T

Y

K

L

V

G

T

K

A

E

D

I

V

M

I

D

N

A

A

C

A

P

E

K

K

L

L

R

Q

A

V

I

V

G

G

S

R

N

A

T

G

T

T

G

G

H

V

P

D

H

N

I

V

D

D

V

L

D

E

Y

A

A

A

R

T

E

R

K

K

G

G

V

I

K

L

V

V

V

M

T

N

L

T

K

P

D

N

H

G

Q
x
N

D

S

F

L

L

-

D

-

T

-

I

-

T

-

P

S

T
x
A

A

A

E

E

L

L

T

T

W

C

G

G

L

M

I

I

I

M

A

C

L

L

T

A

R

R

N

Q

I

I

V

P

P

Q

G

A

F

T

K

A

S

S

V

M

L

K

D

D

G

G

Q

K

W

W

A

E

R

R

W

K

P

K

F

F

G

M

G

G

K

T

A

E

M

-

L

L

S

N

R

G

M

K

S

T

L

L

G

G

V

I

A

L

G

G

L

L

G

G

R
|
R

L
x
I

G

G

K

R

L

E

T

V

A

A

S

T

Y

R

G

M

V

Q

A

S

F

F

G

G

M

M

D

K

V

T

K

I

Y

G

Y
|
Y

D
|
D

P
|
P

F
x
I

V

I

-

S

-

P

E

E

K

V

S

S

P

A

V

S

D

F

G

G

I

V

T

Q

K

Q

L

L

S

P

S

-

L

L

E

E

L

I

V

W

E

P

S

L

S

C

D

D

I

F

V

I

T

T

I

V

H
|
H

I
x
T

P
|
P

H

L

E

L

P

P

E

S

T
|
T

E

T

N

G

L

L

F

L

S

N

A

D

E

N

M

T

F

F

E

A

K

Q

F

C

K

K

D

K

G

G

A

V

F

R

F

V

V

V

N

N

T
x
C

S
x
A

R
|
R

G

G

E

G

L

I

V

V

D

D

H

E

D

G

A

A

L

L

K

R

A

A

L

L

E

Q

S

S

G

G

K

Q

L

C

A

A

G

G

A

A

V

L

D

D

V

V

L

F

D

T

G

-

E

E

F

E

D

P

P

P

D

R

F

-

G

-

S

-

K

-

V

-

L

-

D

D

Q

R

P

A

L

L

V

V

K

-

Y

-

A

-

Q

-

E

D

H

H

D

E

N

N

L

V

I

I

I

S

T

C

P

P

H
|
H

I

L

G
|
G

G

A

S

S

T

T

L

K

D

E

A

A

W

Q

S

S

L

R

T

C

Q

G

E

E

Y

E

T

I

I

A

A

V

K

Q

I

F

I

V

E

D

binding 1,4-dihydronicotinamide adenine dinucleotide: N96 (≠ Q103), A100 (≠ T112), R149 (= R162), I150 (≠ L163), Y168 (= Y181), D169 (= D182), P170 (= P183), I171 (≠ F184), H200 (= H212), T201 (≠ I213), P202 (= P214), T207 (= T219), C228 (≠ T240), A229 (≠ S241), R230 (= R242), H277 (= H300), G279 (= G302)

6plfB Crystal structure of human phgdh complexed with compound 1 (see paper)
35% identity, 85% coverage: 45:322/326 of query aligns to 24:291/292 of 6plfB

query
sites
6plfB

V

V

M

V

D

E

R

K

A

Q

E

N

V

L

L

L

L

I

A

A

P

E

L

L

G

Q

Y

D

Y

C

L

E

G

G

-

L

-

I

-

V

-

R

-

S

-

A

K

A

E

D

I

V

M

I

D

N

A

A

C

A

P

E

K

K

L

L

R

Q

A

V

I

V

G

G

S

R

N

A

T

G

T

T

G

G

H

V

P

D

H

N

I

V

D

D

V

L

D

E

Y

A

A

A

R

T

E

R

K

K

G

G

V

I

K

L

V

V

V

M

T

N

L

T

K

P

D

N

H

G

Q

N

D

S

F

L

L

-

D

-

T

-

I

-

T

-

P

S

T

A

A

A

E

E

L

L

T

T

W

C

G

G

L

M

I

I

I

M

A

C

L

L

T

A

R

R

N

Q

I

I

V

P

P

Q

G

A

F

T

K

A

S

S

V

M

L

K

D

D

G

G

Q

K

W

W

A

E

R

R

W

K

P

K

F

F

G

M

G

G

K

T

A

E

M

-

L

L

S

N

R

G

M

K

S

T

L

L

G

G

V

I

A

L

G

G

L

L

G

G

R
|
R

L

I

G

G

K

R

L

E

T

V

A

A

S

T

Y

R

G

M

V

Q

A

S

F

F

G

G

M

M

D

K

V

T

K

I

Y

G

Y
|
Y

D
|
D

P
|
P

F

I

V
x
I

-

S

-

P

E

E

K

V

S

S

P

A

V

S

D

F

G

G

I

V

T

Q

K

Q

L

L

S

P

S

-

L
|
L

E

E

L

I

V

W

E

P

S

L

S

C

D

D

I

F

V

I

T

T

I

V

H

H

I
x
T

P
|
P

H

L

E

L

P

P

E
x
S

T

T

E

T

N

G

L
|
L

F

L

S

N

A

D

E

N

M

T

F

F

E

A

K

Q

F

C

K

K

D

K

G

G

A

V

F

R

F

V

V

V

N

N

T

C

S

A

R

R

G

G

E

G

L

I

V

V

D

D

H

E

D

G

A

A

L

L

K

R

A

A

L

L

E

Q

S

S

G

G

K

Q

L

C

A

A

G

G

A

A

V

L

D

D

V

V

L

F

D

T

G

-

E

E

F

E

D

P

P

P

D

R

F

-

G

-

S

-

K

-

V

-

L

-

D

D

Q

R

P

A

L

L

V

V

K

-

Y

-

A

-

Q

-

E

D

H

H

D

E

N

N

L

V

I

I

I

S

T

C

P

P

H

H

I

L

G

G

G

A

S

S

T

T

L

K

D

E

A

A

W

Q

S

S

L

R

T

C

Q

G

E

E

Y

E

T

I

I

A

A

V

K

Q

I

F

I

V

E

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 (= R162), Y160 (= Y181), D161 (= D182), P162 (= P183), I164 (≠ V185), L179 (= L199), T193 (≠ I213), P194 (= P214), S198 (≠ E218), L202 (= L222)

3kb6B Crystal structure of d-lactate dehydrogenase from aquifex aeolicus complexed with NAD and lactic acid (see paper)
31% identity, 83% coverage: 46:317/326 of query aligns to 40:311/334 of 3kb6B

query
sites
3kb6B

M

L

D

K

R

K

A

A

E

E

V

L

L

I

L

S

A

V

P
x
F

L

V

G

Y

Y

D

Y

K

L

L

G

T

K

E

E

E

I

L

M

L

D

S

A

K

C

M

P

P

K

R

L

L

R

K

A

L

I

I

G

H

S

T

N

R

T
x
S

T
x
V

G
|
G

H

F

P

D

H

H

I

I

D

D

V

L

D

D

Y

Y

A

C

R

K

E

K

K

K

G

G

V

I

K

L

V

V

V

T

T

H

L

I

K

P

D

A

H
x
Y

Q
x
S

D

P

F

-

L

-

D

-

T

-

I

-

T

E

P

S

T
x
V

A

A

E

E

L

H

T

T

W

F

G

A

L

M

I

I

I

L

A

T

L

L

T

V

R

K

N

R

I

L

V

K

P

R

G

I

F

E

K

D

S

R

V

V

L

K

D

K

G

L

Q

N

W

F

A

S

R

Q

W

D

P

S

F

E

G

I

G

L

K

A

A

R

M

E

L

L

S

N

R

R

M

L

S

T

L

L

G

G

V

V

A

I

G

G

L

T

G
|
G

R
|
R

L
x
I

G

G

K

S

L

R

T

V

A

A

S

M

Y

Y

G

G

V

L

A

A

F

F

G

G

M

M

D

K

V

V

K

L

Y

C

Y

Y

D
|
D

P
x
V

F

V

V

K

E

R

K

E

S

D

P

L

V

K

D

E

G

K

I

G

T

C

K

V

L

Y

S

T

S

S

L

L

E

D

E

E

L

L

V

L

E

K

S

E

S

S

D

D

I

V

V

I

T

S

I

L

H

H

I

V

P
|
P

H

Y

E

T

P

K

E

E

T

T

E

H

N

H

L

M

F

I

S

N

A

E

E

E

M

R

F

I

E

S

K

L

F

M

K

K

D

D

G

G

A

V

F

Y

F

L

V

I

N

N

T
|
T

S
x
A

R
|
R

G

G

E

K

L

V

V

V

D

D

H

T

D

D

A

A

L

L

L

Y

K

R

A

A

L

Y

E

Q

S

R

G

G

K

K

L

F

A

S

G

G

A

L

A

G

V

L

D
|
D

V

V

L

F

D

E

G

D

E
|
E

-

E

-

I

-

L

-

I

F

L

D

K

P

K

D

Y

F

T

G

E

S

G

K

K

V

A

L

T

D

D

Q

K

P

N

L

L

-

K

V

I

K

L

Y

E

A

L

Q

A

E

C

H

K

D

D

N

N

L

V

I

I

T

T

P

P

H
|
H

I

I

G
x
A

G
x
Y

S

Y

T

T

L

D

D

K

A

S

W

L

S

E

L

R

T

I

Q

R

E

E

Y

E

T

T

I

V

active site: S97 (≠ Q103), R231 (= R242), D255 (= D266), E260 (= E271), H294 (= H300)
binding lactic acid: F49 (≠ P55), S72 (≠ T78), V73 (≠ T79), G74 (= G80), Y96 (≠ H102), R231 (= R242), H294 (= H300)
binding nicotinamide-adenine-dinucleotide: V73 (≠ T79), Y96 (≠ H102), V101 (≠ T112), G150 (= G161), R151 (= R162), I152 (≠ L163), D171 (= D182), V172 (≠ P183), P203 (= P214), T229 (= T240), A230 (≠ S241), R231 (= R242), H294 (= H300), A296 (≠ G302), Y297 (≠ G303)

P87228 Putative D-3-phosphoglycerate dehydrogenase; 3-PGDH; 2-oxoglutarate reductase; EC 1.1.1.95; EC 1.1.1.399 from Schizosaccharomyces pombe (strain 972 / ATCC 24843) (Fission yeast) (see paper)
35% identity, 76% coverage: 60:308/326 of query aligns to 109:352/466 of P87228

query
sites
P87228

L

L

G

T

K

R

E

R

I

V

M

L

D

E

A

A

C

A

P

D

K

S

L

L

R

I

A

V

I

I

G

G

S

C

N

F

T

C

T

I

G

G

H

T

P

N

H

Q

I

V

D

D

V

L

D

D

Y

F

A

A

R

A

E

E

K

R

G

G

V

I

K

A

V

V

V

F

T

-

L

-

K

-

D

-

H

N

Q

S

D

P

F

Y

L

A

D

N

T

S

I

R

T

S

P

-

T

V

A

A

E

E

L

L

T

V

W

I

G

G

L

Y

I

I

A

S

L

L

T

A

R

R

N

Q

I

V

V

G

P

D

G

R

F

S

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L

S

E

V

L

L

H

D

R

G

G

Q

E

W

W

A

N

R

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-

V

-

S

-

G

-

C

W

W

P

E

F

I

G

R

G

G

K

K

A

-

M

-

L

-

S

-

R

-

M

-

S

T

L

L

G

G

V

I

A

I

G

G

L

Y

G

G

R

H

L

I

G

G

K

S

L

Q

T

L

A

S

S

V

Y

L

G

A

V

E

A

A

F

M

G

G

M

L

D

H

V

V

K

V

Y

Y

D

D

P

-

F

I

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E

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I

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M

P

P

V

L

D

G

G

S

I

A

T

K

K

Q

L

L

S

S

L

L

E

P

E

E

L

L

V

L

E

H

S

R

S

A

D

D

I

F

V

V

T

S

I

L

H

H

I

V

P

P

H

A

E
x
S

P

P

E

E

T

T

E

K

N

N

L

M

F

I

S

S

A

S

E

K

M

E

F

F

E

A

K

A

F

M

K

K

D

E

G

G

A

S

F

Y

F

L

V

I

N

N

T

A

S

S

R

R

G

G

E

T

L

V

V

V

D

D

H

I

D

P

A

A

L

L

L

V

K

D

A

A

L

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E

K

S

S

G

G

K

K

L

I

A

A

G

G

A

A

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I

D

D

V

V

L

Y

D

P

G

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E

F

P

D

A

P

G

D

N

F

G

G

K

S

D

K

K

V

F

L

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D

D

Q

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P

-

L

L

V

N

K

S

Y

W

A

T

Q

S

E

E

-

L

-

T

-

H

H

C

D

K

N

N

L

I

I

I

I

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P

P

H

H

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I

G

G

S

S

T

T

L

E

D

E

A

A

S258 (≠ E216) modified: Phosphoserine

Sites not aligning to the query:

87 modified: Phosphoserine

7cvpA The crystal structure of human phgdh from biortus.
39% identity, 64% coverage: 113:322/326 of query aligns to 56:254/254 of 7cvpA

query
sites
7cvpA

A

A

E

E

L

L

T

T

W

C

G

G

L

M

I

I

I

M

A

C

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L

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N

Q

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A

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L

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D

G

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W

A

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R

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K

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F

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M

G

G

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E

M

-

L

L

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R

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M

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S

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L

L

G

G

V

I

A

L

G
|
G

L

L

G
|
G

R
|
R

L
x
I

G

G

K

R

L

E

T

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A

A

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T

Y

R

G

M

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Q

A

S

F

F

G

G

M

M

D

K

V

T

K

I

Y

G

Y
|
Y

D
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D

P
|
P

F
x
I

V

I

-

S

-

P

E

E

K

V

S

S

P

A

V

S

D

F

G

G

I

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T

Q

K

Q

L

L

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P

S

-

L

L

E

E

L

I

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W

E

P

S

L

S

C

D

D

I

F

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I

T

T

I

V

H
|
H

I
x
T

P
|
P

H

L

E

L

P

P

E

S

T
|
T

E

T

N

G

L

L

F

L

S

N

A

D

E

N

M

T

F

F

E

A

K

Q

F

C

K

K

D

K

G

G

A

V

F

R

F

V

V

V

N

N

T
x
C

S
x
A

R
|
R

G

G

E

G

L

I

V

V

D

D

H

E

D

G

A

A

L

L

K

R

A

A

L

L

E

Q

S

S

G

G

K

Q

L

C

A

A

G

G

A

A

V

L

D

D

V

V

L

F

D

T

G

-

E

E

F

E

D

P

P

P

D

R

F

-

G

-

S

-

K

-

V

-

L

-

D

D

Q

R

P

A

L

L

V

V

K

-

Y

-

A

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Q

-

E

D

H

H

D

E

N

N

L

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I

I

I

S

T

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P

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|
H

I

L

G
|
G

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A

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S

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T

L

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E

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Y

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E

D

binding nicotinamide-adenine-dinucleotide: G101 (= G159), G103 (= G161), R104 (= R162), I105 (≠ L163), Y123 (= Y181), D124 (= D182), P125 (= P183), I126 (≠ F184), H155 (= H212), T156 (≠ I213), P157 (= P214), T162 (= T219), C183 (≠ T240), A184 (≠ S241), R185 (= R242), H232 (= H300), G234 (= G302)

6rj6A Crystal structure of phgdh in complex with bi-4924 (see paper)
39% identity, 64% coverage: 113:321/326 of query aligns to 7:204/204 of 6rj6A

query
sites
6rj6A

A

A

E

E

L

L

T

T

W

C

G

G

L

M

I

I

I

M

A

C

L

L

T

A

R

R

N

Q

I

I

V

P

P

Q

G

A

F

T

K

A

S

S

V

M

L

K

D

D

G

G

Q

K

W

W

A

E

R

R

W

K

P

K

F

F

G

M

G

G

K

T

A

E

M

-

L

L

S

N

R

G

M

K

S

T

L

L

G

G

V

I

A

L

G
|
G

L

L

G

G

R
|
R

L
x
I

G

G

K

R

L

E

T

V

A

A

S

T

Y

R

G

M

V

Q

A

S

F

F

G

G

M

M

D

K

V

T

K

I

Y

G

Y
|
Y

D
|
D

P
|
P

F
x
I

V
x
I

-

S

-

P

E

E

K

V

S

S

P

A

V

S

D

F

G

G

I

V

T

Q

K

Q

L

L

S

P

S

-

L

L

E

E

L

I

V

W

E

P

S

L

S

C

D

D

I

F

V

I

T

T

I

V

H
|
H

I
x
T

P
|
P

H

L

E

L

P

P

E

S

T
|
T

E

T

N

G

L

L

F

L

S

N

A

D

E

N

M

T

F

F

E

A

K

Q

F

C

K

K

D

K

G

G

A

V

F

R

F

V

V

V

N

N

T

C

S

A

R

R

G

G

E

G

L

I

V

V

D

D

H

E

D

G

A

A

L

L

K

R

A

A

L

L

E

Q

S

S

G

G

K

Q

L

C

A

A

G

G

A

A

V

L

D

D

V

V

L

F

D

T

G

-

E

E

F

E

D

P

P

P

D

R

F

-

G

-

S

-

K

-

V

-

L

-

D

D

Q

R

P

A

L

L

V

V

K

-

Y

-

A

-

Q

-

E

D

H

H

D

E

N

N

L

V

I

I

I

S

T

C

P

P

H

H

I

L

G

G

G

A

S

S

T

T

L

K

D

E

A

A

W

Q

S

S

L

R

T

C

Q

G

E

E

Y

E

T

I

I

A

A

V

K

Q

I

F

I

V

binding 2-[4-[(1~{S})-1-[[4,5-bis(chloranyl)-1,6-dimethyl-indol-2-yl]carbonylamino]-2-oxidanyl-ethyl]phenyl]sulfonylethanoic acid: G52 (= G159), R55 (= R162), I56 (≠ L163), Y74 (= Y181), D75 (= D182), P76 (= P183), I77 (≠ F184), I78 (≠ V185), H106 (= H212), T107 (≠ I213), P108 (= P214), T113 (= T219)

7va1A Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with gdd-04-35
41% identity, 61% coverage: 113:310/326 of query aligns to 6:192/193 of 7va1A

query
sites
7va1A

A

A

E

E

L

L

T

T

W

C

G

G

L

M

I

I

I

M

A

C

L

L

T

A

R

R

N

Q

I

I

V

P

P

Q

G

A

F

T

K

A

S

S

V

M

L

K

D

D

G

G

Q

K

W

W

A

E

R

R

W

K

P

K

F

F

G

M

G

G

K

T

A

E

M

-

L

L

S

N

R

G

M

K

S

T

L

L

G

G

V

I

A
x
L

G

G

L

L

G
|
G

R

R

L

I

G

G

K
x
R

L

E

T

V

A

A

S

T

Y

R

G

M

V

Q

A

S

F

F

G

G

M

M

D

K

V

T

K

I

Y

G

Y
|
Y