SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_010531959.1 NCBI__GCF_000224785.1:WP_010531959.1 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, 94% coverage: 21:317/317 of query aligns to 27:316/533 of O43175

query
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O43175

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T78 (≠ V74) binding NAD(+)
R135 (= R131) 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 (≠ EI 151:152) binding NAD(+)
D175 (= D171) binding NAD(+)
T207 (≠ V206) binding NAD(+)
CAR 234:236 (≠ SAR 233:235) binding NAD(+)
D260 (= D259) binding NAD(+)
V261 (= V260) 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 (≠ HIAG 283:286) binding NAD(+)

Sites not aligning to the query:

1 modified: Initiator methionine, Removed
2 modified: N-acetylalanine
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

6rj2A Crystal structure of phgdh in complex with compound 40 (see paper)
42% identity, 90% coverage: 21:306/317 of query aligns to 19:299/299 of 6rj2A

query
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6rj2A

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binding ~{N}-[(1~{R})-1-[4-(ethanoylsulfamoyl)phenyl]ethyl]-2-methyl-5-phenyl-pyrazole-3-carboxamide: G146 (= G150), I148 (= I152), Y166 (= Y170), D167 (= D171), P168 (= P172), I169 (≠ F173), I170 (≠ V174), H198 (= H205), T199 (≠ V206), L208 (≠ M215), R228 (= R235)

6plgA Crystal structure of human phgdh complexed with compound 15 (see paper)
42% identity, 90% coverage: 21:306/317 of query aligns to 22:302/303 of 6plgA

query
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6plgA

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binding (2S)-(4-{3-[(4,5-dichloro-1-methyl-1H-indole-2-carbonyl)amino]oxetan-3-yl}phenyl)(pyridin-3-yl)acetic acid: G149 (= G150), R150 (≠ E151), D170 (= D171), P171 (= P172), I172 (≠ F173), I173 (≠ V174), H201 (= H205), T202 (≠ V206), L205 (≠ T209)

6plfA Crystal structure of human phgdh complexed with compound 1 (see paper)
42% identity, 90% coverage: 21:306/317 of query aligns to 23:303/305 of 6plfA

query
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6plfA

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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 (= Y170), D171 (= D171), P172 (= P172), L189 (= L192), H202 (= H205), T203 (≠ V206), P204 (= P207), L212 (≠ M215)

7ewhA Crystal structure of human phgdh in complex with homoharringtonine (see paper)
42% identity, 90% coverage: 21:306/317 of query aligns to 22:302/302 of 7ewhA

query
sites
7ewhA

G

G

Y

L

S

Q

V

V

D

V

Y

E

D

K

R

Q

E

N

L

L

S

S

R

K

K

-

R

-

E

E

L

L

L

I

R

A

L

E

L

L

P

Q

D

D

Y

C

D

E

A

G

L

L

I

I

V

V

R

R

N

S

E

A

T

T

R

K

V

V

D

T

P

A

E

D

F

V

L

I

D

N

A

A

K

E

N

K

A

L

R

Q

V

V

I

V

G

G

R

R

L

A

G

G

V

T

G

G

L

V

D

D

N

N

I

V

D

D

L

L

E

E

A

A

K

T

E

R

R

K

N

G

I

I

P

L

V

V

I

M

A

N

A

T

K

P

N

N

A

G

N

N

A

S

T

L

S

S

V

A

A

A

E

E

Y

L

V

T

M

C

A

G

A

M

M

I

L

M

D

C

A

L

S

A

R

R

P

Q

L

I

S

P

D

Q

A

A

D

T

A

A

D

S

V

M

R

K

R

D

G

G

N

K

W

W

D

E

R

R

K

K

F

K

F

F

T

M

G

G

Y

T

E

E

L

L

N

N

K

G

R

K

T

T

L

L

G

G

L

I

V
x
L

G
|
G

M
x
L

G
|
G

E
x
R

I
|
I

A
x
G

N

R

R

E

V

V

A

A

R

T

R

R

A

M

K

Q

A

S

F

F

G

G

M

M

D

K

V

T

I

I

G

G

Y

Y

D
|
D

P

P

F

I

V

I

A

S

P

P

F

-

D

-

H

E

V

V

L

S

A

A

E

S

T

F

G

G

V

V

R

Q

P

Q

A

L

E

P

T

-

L

L

D

E

E

E

L

I

L

W

S

P

E

L

S

C

D

D

F

F

V

I

S

T

V

V

H
|
H

V
x
T

P
|
P

L

L

T

L

K

P

A

S

T

T

K

T

H

G

M

L

I

L

N

N

K

D

D

N

N

T

F

F

P

A

L

Q

M

C

K

K

S

K

H

G

A

V

Y

R

V

V

I

V

N

N

S

C

A

A

R

R

G

G

I

I

V

V

H

D

E

E

Q

G

D

A

L

L

I

L

E

R

A

A

V

L

Q

Q

S

S

E

G

Q

Q

I

C

A

A

G

G

A

A

Y

A

L

L

D

D

V

V

L

F

E

T

K

E

E

E

P

P

V

-

E

P

K

R

D

D

S

R

P

A

L

L

A

V

R

D

E

H

E

E

S

N

I

V

R

I

L

S

S

C

P

P

H

H

I

L

A

G

G

A

L

S

T

T

D

K

E

E

A

A

Q

Q

S

S

R

R

T

C

A

G

M

E

L

E

I

I

A

A

-

V

Q

Q

E

F

V

V

D

D

R

M

V

V

binding (3beta)-O~3~-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine: L146 (≠ V147), G147 (= G148), L148 (≠ M149), G149 (= G150), R150 (≠ E151), I151 (= I152), G152 (≠ A153), D170 (= D171), H201 (= H205), T202 (≠ V206), P203 (= P207)

6rihA Crystal structure of phgdh in complex with compound 9 (see paper)
42% identity, 90% coverage: 21:306/317 of query aligns to 22:302/302 of 6rihA

query
sites
6rihA

G

G

Y

L

S

Q

V

V

D

V

Y

E

D

K

R

Q

E

N

L

L

S

S

R

K

K

-

R

-

E

E

L

L

L

I

R

A

L

E

L

L

P

Q

D

D

Y

C

D

E

A

G

L

L

I

I

V

V

R

R

N

S

E

A

T

T

R

K

V

V

D

T

P

A

E

D

F

V

L

I

D

N

A

A

K

E

N

K

A

L

R

Q

V

V

I

V

G

G

R

R

L

A

G

G

V

T

G

G

L

V

D

D

N

N

I

V

D

D

L

L

E

E

A

A

K

T

E

R

R

K

N

G

I

I

P

L

V

V

I

M

A

N

A

T

K

P

N

N

A

G

N

N

A

S

T

L

S

S

V

A

A

A

E

E

Y

L

V

T

M

C

A

G

A

M

M

I

L

M

D

C

A

L

S

A

R

R

P

Q

L

I

S

P

D

Q

A

A

D

T

A

A

D

S

V

M

R

K

R

D

G

G

N

K

W

W

D

E

R

R

K

K

F

K

F

F

T

M

G

G

Y

T

E

E

L

L

N

N

K

G

R

K

T

T

L

L

G

G

L

I

V

L

G

G

M

L

G
|
G

E

R

I

I

A

G

N

R

R

E

V

V

A

A

R

T

R

R

A

M

K

Q

A

S

F

F

G

G

M

M

D

K

V

T

I

I

G

G

Y
|
Y

D
|
D

P
|
P

F
x
I

V
x
I

A

S

P

P

F

-

D

-

H

E

V

V

L

S

A

A

E

S

T

F

G

G

V

V

R

Q

P

Q

A

L

E

P

T

-

L

L

D

E

E

E

L

I

L

W

S

P

E

L

S

C

D

D

F

F

V

I

S

T

V

V

H

H

V
x
T

P
|
P

L

L

T

L

K

P

A

S

T

T

K

T

H

G

M
x
L

I

L

N

N

K

D

D

N

N

T

F

F

P

A

L

Q

M

C

K

K

S

K

H

G

A

V

Y

R

V

V

I

V

N

N

S

C

A

A

R

R

G

G

I

I

V

V

H

D

E

E

Q

G

D

A

L

L

I

L

E

R

A

A

V

L

Q

Q

S

S

E

G

Q

Q

I

C

A

A

G

G

A

A

Y

A

L

L

D

D

V

V

L

F

E

T

K

E

E

E

P

P

V

-

E

P

K

R

D

D

S

R

P

A

L

L

A

V

R

D

E

H

E

E

S

N

I

V

R

I

L

S

S

C

P

P

H

H

I

L

A

G

G

A

L

S

T

T

D

K

E

E

A

A

Q

Q

S

S

R

R

T

C

A

G

M

E

L

E

I

I

A

A

-

V

Q

Q

E

F

V

V

D

D

R

M

V

V

binding ~{N}-cyclopropyl-2-methyl-5-phenyl-pyrazole-3-carboxamide: G149 (= G150), Y169 (= Y170), D170 (= D171), P171 (= P172), I172 (≠ F173), I173 (≠ V174), T202 (≠ V206), P203 (= P207), L211 (≠ M215)

7dkmA Phgdh covalently linked to oridonin (see paper)
42% identity, 90% coverage: 21:306/317 of query aligns to 23:303/306 of 7dkmA

query
sites
7dkmA

G

G

Y

L

S

Q

V

V

D

V

Y

E

D

K

R

Q

E

N

L

L

S

S

R

K

K

-

R

-

E

E

L

L

L

I

R

A

L

E

L

L

P

Q

D

D

Y

C

D

E

A

G

L

L

I

I

V

V

R

R

N

S

E

A

T

T

R

K

V

V

D

T

P

A

E

D

F

V

L

I

D

N

A

A

K

E

N

K

A

L

R

Q

V

V

I

V

G

G

R

R

L

A

G

G

V
x
T

G

G

L

V

D

D

N

N

I

V

D

D

L

L

E

E

A

A

K

T

E

R

R

K

N

G

I

I

P

L

V

V

I

M

A

N

A

T

K

P

N

N

A

G

N

N

A

S

T

L

S

S

V
x
A

A

A

E

E

Y

L

V

T

M

C

A

G

A

M

M

I

L

M

D

C

A

L

S

A

R

R

P

Q

L

I

S

P

D

Q

A

A

D

T

A

A

D

S

V

M

R

K

R

D

G

G

N

K

W

W

D

E

R

R

K

K

F

K

F

F

T

M

G

G

Y

T

E

E

L

L

N

N

K

G

R

K

T

T

L

L

G

G

L

I

V

L

G
|
G

M

L

G

G

E
x
R

I
|
I

A

G

N

R

R

E

V

V

A

A

R

T

R

R

A

M

K

Q

A

S

F

F

G

G

M

M

D

K

V

T

I

I

G

G

Y
|
Y

D
|
D

P
|
P

F
x
I

V

I

A

S

P

P

F

-

D

-

H

E

V

V

L

S

A

A

E

S

T

F

G

G

V

V

R

Q

P

Q

A

L

E

P

T

-

L

L

D

E

E

E

L

I

L

W

S

P

E

L

S

C

D

D

F

F

V

I

S

T

V

V

H
|
H

V
x
T

P
|
P

L

L

T

L

K

P

A

S

T
|
T

K

T

H

G

M

L

I

L

N

N

K

D

D

N

N

T

F

F

P

A

L

Q

M

C

K

K

S

K

H

G

A

V

Y

R

V

V

I

V

N

N

S
x
C

A
|
A

R
|
R

G

G

I

I

V

V

H

D

E

E

Q

G

D

A

L

L

I

L

E

R

A

A

V

L

Q

Q

S

S

E

G

Q

Q

I

C

A

A

G

G

A

A

Y

A

L

L

D

D

V

V

L

F

E

T

K

E

E

E

P

P

V

-

E

P

K

R

D

D

S

R

P

A

L

L

A

V

R

D

E

H

E

E

S

N

I

V

R

I

L

S

S

C

P

P

H
|
H

I

L

A
x
G

G

A

L

S

T

T

D

K

E

E

A

A

Q

Q

S

S

R

R

T

C

A

G

M
x
E

L

E

I

I

A

A

-

V

Q

Q

E

F

V

V

D

D

R

M

V

V

binding nicotinamide-adenine-dinucleotide: T74 (≠ V74), A102 (≠ V102), G148 (= G148), R151 (≠ E151), I152 (= I152), Y170 (= Y170), D171 (= D171), P172 (= P172), I173 (≠ F173), H202 (= H205), T203 (≠ V206), P204 (= P207), T209 (= T212), C230 (≠ S233), A231 (= A234), R232 (= R235), H279 (= H283), G281 (≠ A285)
binding (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one: E293 (≠ M297)

Sites not aligning to the query:

binding (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one: 14, 17, 18

6rj3A Crystal structure of phgdh in complex with compound 15 (see paper)
42% identity, 88% coverage: 21:300/317 of query aligns to 21:294/297 of 6rj3A

query
sites
6rj3A

G

G

Y

L

S

Q

V

V

D

V

Y

E

D

K

R

Q

E

N

L

L

S

S

R

K

K

-

R

-

E

E

L

L

L

I

R

A

L

E

L

L

P

Q

D

D

Y

C

D

E

A

G

L

L

I

I

V

V

R

R

N

S

E

A

T

T

R

K

V

V

D

T

P

A

E

D

F

V

L

I

D

N

A

A

K

E

N

K

A

L

R

Q

V

V

I

V

G

G

R

R

L

A

G

G

V

T

G

G

L

V

D

D

N

N

I

V

D

D

L

L

E

E

A

A

K

T

E

R

R

K

N

G

I

I

P

L

V

V

I

M

A

N

A

T

K

P

N

N

A

G

N

N

A

S

T

L

S

S

V

A

A

A

E

E

Y

L

V

T

M

C

A

G

A

M

M

I

L

M

D

C

A

L

S

A

R

R

P

Q

L

I

S

P

D

Q

A

A

D

T

A

A

D

S

V

M

R

K

R

D

G

G

N

K

W

W

D

E

R

R

K

K

F

K

F

F

T

M

G

G

Y

T

E

E

L

L

N

N

K

G

R

K

T

T

L

L

G

G

L

I

V
x
L

G

G

M

L

G

G

E

R

I

I

A

G

N

R

R

E

V

V

A

A

R

T

R

R

A

M

K

Q

A

S

F

F

G

G

M

M

D

K

V

T

I

I

G

G

Y
|
Y

D
|
D

P
|
P

F
x
I

V
x
I

A

S

P

P

F

-

D

-

H

E

V

V

L

S

A

A

E

S

T

F

G

G

V

V

R

Q

P

Q

A

L

E

P

T

-

L

L

D

E

E

E

L

I

L

W

S

P

E

L

S

C

D

D

F

F

V

I

S

T

V

V

H
|
H

V
x
T

P
|
P

L

L

T

L

K

P

A

S

T

T

K

T

H

G

M
x
L

I

L

N

N

K

D

D

N

N

T

F

F

P

A

L

Q

M

C

K

K

S

K

H

G

A

V

Y

R

V

V

I

V

N

N

S

C

A

A

R

R

G

G

I

I

V

V

H

D

E

E

Q

G

D

A

L

L

I

L

E

R

A

A

V

L

Q

Q

S

S

E

G

Q

Q

I

C

A

A

G

G

A

A

Y

A

L

L

D

D

V

V

L

F

E

T

K

E

E

E

P

P

V

-

E

P

K

R

D

D

S

R

P

A

L

L

A

V

R

D

E

H

E

E

S

N

I

V

R

I

L

S

S

C

P

P

H

H

I

L

A

G

G

A

L

S

T

T

D

K

E

E

A

A

Q

Q

S

S

R

R

T

C

A

G

M

E

L

E

I

I

A

A

binding 4-[(1~{R})-1-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]ethyl]benzoic acid: L145 (≠ V147), Y168 (= Y170), D169 (= D171), P170 (= P172), I171 (≠ F173), I172 (≠ V174), H200 (= H205), T201 (≠ V206), P202 (= P207), L210 (≠ M215)

6cwaA Crystal structure phgdh in complex with nadh and 3-phosphoglycerate at 1.77 a resolution (see paper)
42% identity, 90% coverage: 21:304/317 of query aligns to 21:299/299 of 6cwaA

query
sites
6cwaA

G

G

Y

L

S

Q

V

V

D

V

Y

E

D

K

R

Q

E

N

L

L

S

S

R

K

K

-

R

-

E

E

L

L

L

I

R

A

L

E

L

L

P

Q

D

D

Y

C

D

E

A

G

L

L

I

I

V

V

R

R

N

S

E

A

T

T

R

K

V

V

D

T

P

A

E

D

F

V

L

I

D

N

A

A

K

E

N

K

A

L

R

Q

V

V

I

V

G

G

R

R

L

A

G

G

V

T

G

G

L

V

D

D

N

N

I

V

D

D

L

L

E

E

A

A

K

T

E

R

R

K

N

G

I

I

P

L

V

V

I

M

A

N

A

T

K

P

N

N

A

G

N
|
N

A

S

T

L

S

S

V
x
A

A

A

E

E

Y

L

V

T

M

C

A

G

A

M

M

I

L

M

D

C

A

L

S

A

R

R

P

Q

L

I

S

P

D

Q

A

A

D

T

A

A

D

S

V

M

R

K

R

D

G

G

N

K

W

W

D

E

R

R

K

K

F

K

F

F

T

M

G

G

Y

T

E

E

L

L

N

N

K

G

R

K

T

T

L

L

G

G

L

I

V

L

G

G

M

L

G

G

E
x
R

I
|
I

A

G

N

R

R

E

V

V

A

A

R

T

R

R

A

M

K

Q

A

S

F

F

G

G

M

M

D

K

V

T

I

I

G

G

Y
|
Y

D
|
D

P
|
P

F
x
I

V

I

A

S

P

P

F

-

D

-

H

E

V

V

L

S

A

A

E

S

T

F

G

G

V

V

R

Q

P

Q

A

L

E

P

T

-

L

L

D

E

E

E

L

I

L

W

S

P

E

L

S

C

D

D

F

F

V

I

S

T

V

V

H
|
H

V
x
T

P
|
P

L

L

T

L

K

P

A

S

T
|
T

K

T

H

G

M

L

I

L

N

N

K

D

D

N

N

T

F

F

P

A

L

Q

M

C

K

K

S

K

H

G

A

V

Y

R

V

V

I

V

N

N

S
x
C

A
|
A

R
|
R

G

G

I

I

V

V

H

D

E

E

Q

G

D

A

L

L

I

L

E

R

A

A

V

L

Q

Q

S

S

E

G

Q

Q

I

C

A

A

G

G

A

A

Y

A

L

L

D

D

V

V

L

F

E

T

K

E

E

E

P

P

V

-

E

P

K

R

D

D

S

R

P

A

L

L

A

V

R

D

E

H

E

E

S

N

I

V

R

I

L

S

S

C

P

P

H
|
H

I

L

A
x
G

G

A

L

S

T

T

D

K

E

E

A

A

Q

Q

S

S

R

R

T

C

A

G

M

E

L

E

I

I

A

A

-

V

Q

Q

E

F

V

V

D

D

binding 1,4-dihydronicotinamide adenine dinucleotide: N96 (= N98), A100 (≠ V102), R149 (≠ E151), I150 (= I152), Y168 (= Y170), D169 (= D171), P170 (= P172), I171 (≠ F173), H200 (= H205), T201 (≠ V206), P202 (= P207), T207 (= T212), C228 (≠ S233), A229 (= A234), R230 (= R235), H277 (= H283), G279 (≠ A285)

6rj5A Crystal structure of phgdh in complex with compound 39 (see paper)
42% identity, 90% coverage: 21:304/317 of query aligns to 22:300/301 of 6rj5A

query
sites
6rj5A

G

G

Y

L

S

Q

V

V

D

V

Y

E

D

K

R

Q

E

N

L

L

S

S

R

K

K

-

R

-

E

E

L

L

L

I

R

A

L

E

L

L

P

Q

D

D

Y

C

D

E

A

G

L

L

I

I

V

V

R

R

N

S

E

A

T

T

R

K

V

V

D

T

P

A

E

D

F

V

L

I

D

N

A

A

K

E

N

K

A

L

R

Q

V

V

I

V

G

G

R

R

L

A

G

G

V

T

G

G

L

V

D

D

N

N

I

V

D

D

L

L

E

E

A

A

K

T

E

R

R

K

N

G

I

I

P

L

V

V

I

M

A

N

A

T

K

P

N

N

A

G

N

N

A

S

T

L

S

S

V

A

A

A

E

E

Y

L

V

T

M

C

A

G

A

M

M

I

L

M

D

C

A

L

S

A

R

R

P

Q

L

I

S

P

D

Q

A

A

D

T

A

A

D

S

V

M

R

K

R

D

G

G

N

K

W

W

D

E

R

R

K

K

F

K

F

F

T

M

G

G

Y

T

E

E

L

L

N

N

K

G

R

K

T

T

L

L

G

G

L

I

V
x
L

G

G

M

L

G

G

E

R

I

I

A

G

N

R

R

E

V

V

A

A

R

T

R

R

A

M

K

Q

A

S

F

F

G

G

M

M

D

K

V

T

I

I

G

G

Y
|
Y

D
|
D

P
|
P

F

I

V
x
I

A

S

P

P

F

-

D

-

H

E

V

V

L

S

A

A

E

S

T

F

G

G

V

V

R

Q

P

Q

A

L

E

P

T

-

L

L

D

E

E

E

L

I

L

W

S

P

E

L

S

C

D

D

F

F

V

I

S

T

V

V

H
|
H

V
x
T

P
|
P

L

L

T

L

K

P

A

S

T

T

K

T

H

G

M
x
L

I

L

N

N

K

D

D

N

N

T

F

F

P

A

L

Q

M

C

K

K

S

K

H

G

A

V

Y

R

V

V

I

V

N

N

S

C

A

A

R

R

G

G

I

I

V

V

H

D

E

E

Q

G

D

A

L

L

I

L

E

R

A

A

V

L

Q

Q

S

S

E

G

Q

Q

I

C

A

A

G

G

A

A

Y

A

L

L

D

D

V

V

L

F

E

T

K

E

E

E

P

P

V

-

E

P

K

R

D

D

S

R

P

A

L

L

A

V

R

D

E

H

E

E

S

N

I

V

R

I

L

S

S

C

P

P

H

H

I

L

A

G

G

A

L

S

T

T

D

K

E

E

A

A

Q

Q

S

S

R

R

T

C

A

G

M

E

L

E

I

I

A

A

-

V

Q

Q

E

F

V

V

D

D

binding 2-methyl-~{N}-[(1~{R})-1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-5-phenyl-pyrazole-3-carboxamide: L146 (≠ V147), Y169 (= Y170), D170 (= D171), P171 (= P172), I173 (≠ V174), H201 (= H205), T202 (≠ V206), P203 (= P207), L211 (≠ M215)

1wwkA Crystal structure of phosphoglycerate dehydrogenase from pyrococcus horikoshii ot3
40% identity, 97% coverage: 1:309/317 of query aligns to 1:304/304 of 1wwkA

query
sites
1wwkA

M

M

K

K

I

V

L

L

V

V

T

A

E

A

L

P

M

L

W

H

Q

E

D

K

G

A

I

I

E

Q

E

V

L

L

R

K

R

D

L

A

G

G

Y

L

S

E

V

V

D

I

Y

Y

D

E

R

E

E

Y

L

P

S

D

R

E

K

D

R

R

E

-

L

L

L

V

R

E

L

L

L

V

P

K

D

D

Y

V

D

E

A

A

L

I

I

I

V

V

R

R

N

S

E

K

T

P

R

K

V

V

D

T

P

R

E

R

F

V

L

I

D

E

A

S

A

A

K

P

N

K

A

L

R

K

V

V

I

I

G

A

R

R

L

A

G

G

V

V

G

G

L

L

D

D

N

N

I

I

D

D

L

V

E

E

A

A

K

K

E

E

R

K

N

G

I

I

P

E

V

V

I

V

A

N

A

A

K

P

N

A

A

A

N
x
S

A

S

T

R

S

S

V
|
V

A

A

E

E

Y

L

V

A

M

V

A

G

A

L

M

M

L

F

D

S

A

V

S

A

R

R

P

K

L

I

S

A

D

F

A

A

D

D

A

R

D

K

V

M

R

R

R

E

G

G

N

V

W

W

D

A

R

K

K

K

F

E

F

A

T

M

G

G

Y

I

E

E

L

L

N

E

K

G

R

K

T

T

L

I

G

G

L

I

V

I

G
|
G

M
x
F

G
|
G

E
x
R

I
|
I

A

G

N

Y

R

Q

V

V

A

A

R

K

R

I

A

A

K

N

A

A

F

L

G

G

M

M

D

N

V

I

I

L

G

L

Y
|
Y

D
|
D

P
|
P

F

Y

V

-

A

-

P

P

F

N

D

E

H

E

V

R

L

A

A

K

E

E

T

V

G

N

V

G

R

K

P

F

A

V

E

D

T

-

L

L

D

E

E

T

L

L

S

K

E

E

S

S

D

D

F

V

V

V

S

T

V

I

H

H

V
|
V

P
|
P

L

L

T

V

K

E

A

S

T
|
T

K

Y

H

H

M

L

I

I

N

N

K

E

D

E

N

R

F

L

P

K

L

L

M

M

K

K

S

K

H

T

A

A

Y

I

V

L

I

I

N

N

S
x
T

A
x
S

R
|
R

G

G

G

P

I

V

V

V

H

D

E

T

Q

N

D

A

L

L

I

V

E

K

A

A

V

L

Q

K

S

E

E

G

Q

W

I

I

A

A

G

G

A

A

Y

G

L

L

D
|
D

V

V

L

F

E

E

K

E

E
|
E

P

P

V

L

E

P

K

K

D

D

S

H

P

P

L

L

A

T

R

K

E

F

E

D

S

N

I

V

R

V

L

L

S

T

P

P

H
|
H

I

I

A
x
G

G

A

L

S

T

T

D

V

E

E

A

A

Q

Q

S

E

R

R

T

A

A

G

M

V

L

E

I

V

A

A

Q

E

E

K

V

V

D

V

R

K

V

I

L

L

N

K

G

G

active site: S96 (≠ N98), R230 (= R235), D254 (= D259), E259 (= E264), H278 (= H283)
binding nicotinamide-adenine-dinucleotide: V100 (= V102), G146 (= G148), F147 (≠ M149), G148 (= G150), R149 (≠ E151), I150 (= I152), Y168 (= Y170), D169 (= D171), P170 (= P172), V201 (= V206), P202 (= P207), T207 (= T212), T228 (≠ S233), S229 (≠ A234), D254 (= D259), H278 (= H283), G280 (≠ A285)

6plfB Crystal structure of human phgdh complexed with compound 1 (see paper)
41% identity, 88% coverage: 25:304/317 of query aligns to 19:291/292 of 6plfB

query
sites
6plfB

D

D

Y

G

D

G

R

L

E

Q

L

V

S

V

R

E

K

K

R

Q

E

N

E

L

L

L

L

I

R

A

L

E

L

L

P

Q

D

D

Y

C

D

E

A

G

L

L

I

I

V

V

R

R

N

S

E

A

T

A

R

D

V

V

D

-

P

-

E

-

F

-

L

I

D

N

A

A

K

E

N

K

A

L

R

Q

V

V

I

V

G

G

R

R

L

A

G

G

V

T

G

G

L

V

D

D

N

N

I

V

D

D

L

L

E

E

A

A

K

T

E

R

R

K

N

G

I

I

P

L

V

V

I

M

A

N

A

T

K

P

N

N

A

G

N

N

A

S

T

L

S

S

V

A

A

A

E

E

Y

L

V

T

M

C

A

G

A

M

M

I

L

M

D

C

A

L

S

A

R

R

P

Q

L

I

S

P

D

Q

A

A

D

T

A

A

D

S

V

M

R

K

R

D

G

G

N

K

W

W

D

E

R

R

K

K

F

K

F

F

T

M

G

G

Y

T

E

E

L

L

N

N

K

G

R

K

T

T

L

L

G

G

L

I

V

L

G

G

M

L

G

G

E
x
R

I

I

A

G

N

R

R

E

V

V

A

A

R

T

R

R

A

M

K

Q

A

S

F

F

G

G

M

M

D

K

V

T

I

I

G

G

Y
|
Y

D
|
D

P
|
P

F

I

V
x
I

A

S

P

P

F

-

D

-

H

E

V

V

L

S

A

A

E

S

T

F

G

G

V

V

R

Q

P

Q

A

L

E

P

T

-

L
|
L

D

E

E

E

L

I

L

W

S

P

E

L

S

C

D

D

F

F

V

I

S

T

V

V

H

H

V
x
T

P
|
P

L

L

T

L

K

P

A
x
S

T

T

K

T

H

G

M
x
L

I

L

N

N

K

D

D

N

N

T

F

F

P

A

L

Q

M

C

K

K

S

K

H

G

A

V

Y

R

V

V

I

V

N

N

S

C

A

A

R

R

G

G

I

I

V

V

H

D

E

E

Q

G

D

A

L

L

I

L

E

R

A

A

V

L

Q

Q

S

S

E

G

Q

Q

I

C

A

A

G

G

A

A

Y

A

L

L

D

D

V

V

L

F

E

T

K

E

E

E

P

P

V

-

E

P

K

R

D

D

S

R

P

A

L

L

A

V

R

D

E

H

E

E

S

N

I

V

R

I

L

S

S

C

P

P

H

H

I

L

A

G

G

A

L

S

T

T

D

K

E

E

A

A

Q

Q

S

S

R

R

T

C

A

G

M

E

L

E

I

I

A

A

-

V

Q

Q

E

F

V

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 (≠ E151), Y160 (= Y170), D161 (= D171), P162 (= P172), I164 (≠ V174), L179 (= L192), T193 (≠ V206), P194 (= P207), S198 (≠ A211), L202 (≠ M215)

3ddnB Crystal structure of hydroxypyruvic acid phosphate bound d-3- phosphoglycerate dehydrogenase in mycobacterium tuberculosis (see paper)
41% identity, 87% coverage: 34:309/317 of query aligns to 33:304/525 of 3ddnB

query
sites
3ddnB

R

R

E

D

E

K

L

L

R

A

L

A

L

V

P

P

D

E

Y

A

D

D

A

A

L

L

I

L

V

V

R

R

N

S

E

A

T

T

R

T

V

V

D

D

P

A

E

E

F

V

L

L

D

A

A

A

K

P

N

K

A

L

R

K

V

I

I

V

G

A

R
|
R

L

A

G

G

V
|
V

G

G

L

L

D

D

N

N

I

V

D

D

L

V

E

D

A

A

K

T

E

A

R

R

N

G

I

V

P

L

V

V

I

V

A

N

A

A

K

P

N

T

A

S

N
|
N

A

I

T

H

S

S

V

A

A

A

E

E

Y

H

V

A

M

L

A

A

A

L

M

L

L

L

D

A

A

A

S

S

R

R

P

Q

L

I

S

P

D

A

A

A

D

D

A

A

D

S

V

L

R

R

R

E

G

H

N

T

W

W

D

K

R

R

K

S

F

S

F

F

T

S

G

G

Y

T

E

E

L

I

N

F

K

G

R

K

T

T

L

V

G

G

L

V

V

V

G

G

M

L

G

G

E

R

I

I

A

G

N

Q

R

L

V

V

A

A

R

Q

R

R

A

I

K

A

A

A

F

F

G

G

M

A

D

Y

V

V

I

V

G

A

Y

Y

D

D

P

P

F

Y

V

V

A

S

P

P

F

A

D

R

H

A

V

-

L

-

A

A

E

Q

T

L

G

G

V

I

R

E

P

-

A

L

E

L

T

S

L

L

D

D

E

D

L

L

S

A

E

R

S

A

D

D

F

F

V

I

S

S

V

V

H

H

V

L

P

P

L

K

T

T

K

P

A

E

T

T

K

A

H

G

M

L

I

I

N

D

K

K

D

E

N

A

F

L

P

A

L

K

M

T

K

K

S

P

H

G

A

V

Y

I

V

I

I

V

N

N

S

A

A

A

R
|
R

G

G

I

L

V

V

H

D

E

E

Q

A

D

A

L

L

I

A

E

D

A

A

V

I

Q

T

S

G

E

G

Q

H

I

V

A

R

G

A

A

A

Y

G

L

L

D
|
D

V

V

L

F

E

A

K

T

E
|
E

P

P

V

C

E

-

K

T

D

D

S

S

P

P

L

L

A

F

R

E

E

L

E

A

S

Q

I

V

R

V

L

V

S

T

P

P

H
|
H

I

L

A

G

G
x
A

L

S

T

T

D

A

E

E

A

A

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|
Q

S

D

R

R

T

A

A

G

M

T

L

D

I

V

A

A

Q

E

E

S

V

V

D

R

R

L

V

A

L

L

N

A

G

G

active site: N97 (= N98), R231 (= R235), D255 (= D259), E260 (= E264), H278 (= H283)
binding 2-oxo-3-(phosphonooxy)propanoic acid: R70 (= R71), V73 (= V74), N97 (= N98), A281 (≠ G286), Q287 (= Q292)

3dc2A Crystal structure of serine bound d-3-phosphoglycerate dehydrogenase from mycobacterium tuberculosis (see paper)
41% identity, 87% coverage: 34:309/317 of query aligns to 32:303/526 of 3dc2A

query
sites
3dc2A

R

R

E

D

E

K

L

L

R

A

L

A

L

V

P

P

D

E

Y

A

D

D

A

A

L

L

I

L

V

V

R

R

N

S

E

A

T

T

R

T

V

V

D

D

P

A

E

E

F

V

L

L

D

A

A

A

K

P

N

K

A

L

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K

V

I

I

V

G

A

R

R

L

A

G

G

V

V

G

G

L

L

D

D

N

N

I

V

D

D

L

V

E

D

A

A

K

T

E

A

R

R

N

G

I

V

P

L

V

V

I

V

A

N

A

A

K

P

N

T

A

S

N
|
N

A

I

T

H

S

S

V

A

A

A

E

E

Y

H

V

A

M

L

A

A

A

L

M

L

L

L

D

A

A

A

S

S

R

R

P

Q

L

I

S

P

D

A

A

A

D

D

A

A

D

S

V

L

R

R

R

E

G

H

N

T

W

W

D

K

R

R

K

S

F

S

F

F

T

S

G

G

Y

T

E

E

L

I

N

F

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G

R

K

T

T

L

V

G

G

L

V

V

V

G

G

M

L

G

G

E

R

I

I

A

G

N

Q

R

L

V

V

A

A

R

Q

R

R

A

I

K

A

A

A

F

F

G

G

M

A

D

Y

V

V

I

V

G

A

Y

Y

D

D

P

P

F

Y

V

V

A

S

P

P

F

A

D

R

H

A

V

-

L

-

A

A

E

Q

T

L

G

G

V

I

R

E

P

-

A

L

E

L

T

S

L

L

D

D

E

D

L

L

S

A

E

R

S

A

D

D

F

F

V

I

S

S

V

V

H

H

V

L

P

P

L

K

T

T

K

P

A

E

T

T

K

A

H

G

M

L

I

I

N

D

K

K

D

E

N

A

F

L

P

A

L

K

M

T

K

K

S

P

H

G

A

V

Y

I

V

I

I

V

N

N

S

A

A

A

R
|
R

G

G

I

L

V

V

H

D

E

E

Q

A

D

A

L

L

I

A

E

D

A

A

V

I

Q

T

S

G

E

G

Q

H

I

V

A

R

G

A

A

A

Y

G

L

L

D
|
D

V

V

L

F

E

A

K

T

E
|
E

P

P

V

C

E

-

K

T

D

D

S

S

P

P

L

L

A

F

R

E

E

L

E

A

S

Q

I

V

R

V

L

V

S

T

P

P

H
|
H

I

L

A

G

G

A

L

S

T

T

D

A

E

E

A

A

Q

Q

S

D

R

R

T

A

A

G

M

T

L

D

I

V

A

A

Q

E

E

S

V

V

D

R

R

L

V

A

L

L

N

A

G

G

active site: N96 (= N98), R230 (= R235), D254 (= D259), E259 (= E264), H277 (= H283)

Sites not aligning to the query:

binding serine: 458, 460, 461, 462, 463, 464, 465, 484

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)
34% identity, 100% coverage: 1:316/317 of query aligns to 56:377/466 of P87228

query
sites
P87228

M

I

K

K

I

I

L

L

V

L

T

L

E

E

L

N

M

V

W

N

Q

Q

D

S

G

A

I

L

E

S

E

N

L

L

R

K

R

D

L

E

G

G

Y

Y

S

Q

V

V

D

E

Y

F

D

L

R

K

E

T

L

-

S

S

R

M

K
x
S

R

E

E

D

L

L

L

V

R

E

L

K

L

I

P

K

D

G

Y

V

D

H

A

A

L

I

I

G

V

I

R

R

N

S

E

K

T

T

R

R

V

L

D

T

P

R

E

R

F

V

L

L

D

E

A

A

K

D

N

S

A

L

R

I

V

V

I

I

G

G

R

C

L

F

G

C

V

I

G

G

L

T

D

N

N

Q

I

V

D

D

L

L

E

D

A

F

A

A

K

A

E

E

R

R

N

G

I

I

P

A

V

V

I

F

A

N

A

S

K

P

N

Y

A

A

N

N

A

S

T

R

S

S

V

V

A

A

E

E

Y

L

V

V

M

I

A

G

A

Y

M

I

L

I

D

S

A

L

S

A

R

R

P

Q

L

V

S

G

D

D

A

R

D

S

A

L

D

E

V

L

R

H

R

R

G

G

N

E

W

W

D

N

R

K

K

V

F

S

T

G

G

C

Y

W

E

E

L

I

N

R

K

G

R

K

T

T

L

L

G

G

L

I

V

I

G

G

M

Y

G

G

E

H

I

I

A

G

N

S

R

Q

V

L

A

S

R

V

R

L

A

A

K

E

A

A

F

M

G

G

M

L

D

H

V

V

I

V

G

Y

Y

Y

D

D

P

-

F

-

V

I

A

L

P

P

F

-

D

-

H

-

V

I

L

M

A

P

E

L

T

G

G

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V

A

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P

Q

A

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S

T

S

L

L

D

P

E

E

L

L

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H

E

R

S

A

D

D

F

F

V

V

S

S

V

L

H

H

V

V

P

P

L

A

T
x
S

K

P

A

E

T

T

K

K

H

N

M

M

I

I

N

S

K

S

D

K

N

E

F

F

P

A

L

A

M

M

K

K

S

E

H

G

A

S

Y

Y

V

L

I

I

N

N

S

A

A

S

R

R

G

G

G

T

I

V

V

V

H

D

E

I

Q

P

D

A

L

L

I

V

E

D

A

A

V

S

Q

K

S

S

E

G

Q

K

I

I

A

A

G

G

A

A

Y

A

L

I

D

D

V

V

L

Y

E

P

K

S

E

E

P

P

V

A

-

G

-

N

E

G

K

K

D

D

-

K

-

F

-

V

-

D

-

S

-

L

-

N

-

S

-

W

-

T

S

S

P

E

L

L

A

T

R

H

E

C

E

K

S

N

I

I

R

I

L

L

S

T

P

P

H

H

I

I

A

G

G

G

L

S

T

T

D

E

E

E

A

A

Q

Q

S

Y

R

N

T

I

A

G

M

I

L

E

I

V

A

S

Q

E

E

A

V

L

D

T

R

R

V

Y

L

I

N

N

G

E

G

G

K

N

S

S

I

I

C

G

A

A

V

V

S87 (≠ K33) modified: Phosphoserine
S258 (≠ T209) modified: Phosphoserine

5aovA Ternary crystal structure of pyrococcus furiosus glyoxylate hydroxypyruvate reductase in presence of glyoxylate (see paper)
36% identity, 95% coverage: 2:303/317 of query aligns to 4:308/334 of 5aovA

query
sites
5aovA

K

K

I

V

L

F

V

I

T

T

E

R

L

A

M

I

W

P

Q

E

D

N

G

G

I

I

E

N

E

M

L

L

R

E

L

E

G

F

Y

E

S

V

V

E

D

V

Y

W

D

E

R

E

E

E

L

R

S

E

R

I

K

P

R

R

E

E

E

K

L

L

R

E

L

K

L

V

P

K

D

D

Y

V

D

D

A

A

L

L

I

V

V

T

R
x
M

N
x
L

E

S

T

E

R

R

V

I

D

D

P

Q

E

E

F

V

L

F

D

E

A

N

A

A

K

P