SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_011842048.1 NCBI__GCF_000015985.1:WP_011842048.1 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)
37% identity, 89% coverage: 36:315/316 of query aligns to 40:321/533 of O43175

query
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O43175

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T78 (≠ V73) binding NAD(+)
R135 (= R130) 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 148:149) binding NAD(+)
D175 (= D168) binding NAD(+)
T207 (≠ V200) binding NAD(+)
CAR 234:236 (≠ LAR 227:229) binding NAD(+)
D260 (= D253) binding NAD(+)
V261 (≠ A254) 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 (≠ HSGA 277:280) 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

7dkmA Phgdh covalently linked to oridonin (see paper)
39% identity, 81% coverage: 36:290/316 of query aligns to 36:292/306 of 7dkmA

query
sites
7dkmA

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binding nicotinamide-adenine-dinucleotide: T74 (≠ V73), A102 (≠ V101), G148 (= G145), R151 (≠ N148), I152 (= I149), Y170 (≠ T167), D171 (= D168), P172 (≠ R169), I173 (≠ V170), H202 (= H199), T203 (≠ V200), P204 (≠ F201), T209 (≠ N206), C230 (≠ L227), A231 (= A228), R232 (= R229), H279 (= H277), G281 (= G279)

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, 293

6rj3A Crystal structure of phgdh in complex with compound 15 (see paper)
39% identity, 81% coverage: 36:290/316 of query aligns to 34:290/297 of 6rj3A

query
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6rj3A

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binding 4-[(1~{R})-1-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]ethyl]benzoic acid: L145 (≠ V144), Y168 (≠ T167), D169 (= D168), P170 (≠ R169), I171 (≠ V170), I172 (≠ E171), H200 (= H199), T201 (≠ V200), P202 (≠ F201), L210 (= L209)

7ewhA Crystal structure of human phgdh in complex with homoharringtonine (see paper)
39% identity, 81% coverage: 36:290/316 of query aligns to 35:291/302 of 7ewhA

query
sites
7ewhA

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binding (3beta)-O~3~-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine: L146 (≠ V144), G147 (= G145), L148 (= L146), G149 (= G147), R150 (≠ N148), I151 (= I149), G152 (= G150), D170 (= D168), H201 (= H199), T202 (≠ V200), P203 (≠ F201)

6rihA Crystal structure of phgdh in complex with compound 9 (see paper)
39% identity, 81% coverage: 36:290/316 of query aligns to 35:291/302 of 6rihA

query
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6rihA

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E

L

L

A

T

M

C

G

G

L

M

M

I

F

M

A

C

M

L

A

A

R

R

F

Q

I

I

P

P

Q

Q

G

A

H

T

A

A

S

S

V

M

T

K

S

D

G

G

G

K

W

W

D

E

R

R

R

K

-

K

-

F

I

M

G

G

T

T

Q

E

L

L

G

N

G

G

K

K

V

T

L

L

G

G

I

I

V

L

G

G

L

L

G
|
G

N

R

I

I

G

G

K

R

R

E

L

V

A

A

R

T

L

R

A

M

R

Q

G

S

L

F

G

G

M

M

E

K

V

T

L

I

A

G

T
x
Y

D
|
D

R
x
P

V
x
I

E
x
I

D

S

A

P

A

E

F

V

A

S

R

A

D

S

C

F

G

G

V

V

T

Q

Y

Q

L

L

P

P

L

L

E

E

L

I

L

W

A

P

R

L

A

C

D

D

Y

F

V

I

S

T

L

V

H

H

V
x
T

F
x
P

G

L

S

P

G

S

N

T

A

T

A

G

L
|
L

I

L

D

N

D

D

R

N

A

T

L

F

A

A

R

Q

L

C

K

K

P

K

G

G

A

V

R

R

L

V

V

V

N

N

L

C

A

A

R

R

G

G

E

G

V

I

V

V

D

D

L

E

D

G

A

A

V

L

G

L

R

R

A

A

L

L

E

Q

S

S

G

G

Q

Q

L

C

G

A

G

G

V

A

A

A

I

L

D

D

A

V

Y

F

V

T

T

E

E

E

P

P

D

R

V

-

S

D

H

R

P

A

V

L

F

V

A

D

H

H

P

E

N

N

A

V

V

I

F

S

T

C

P

P

H

H

S

L

G

G

A

A

D

S

T

T

L

K

E

E

A

A

L

Q

E

S

N

R

V

C

G

G

binding ~{N}-cyclopropyl-2-methyl-5-phenyl-pyrazole-3-carboxamide: G149 (= G147), Y169 (≠ T167), D170 (= D168), P171 (≠ R169), I172 (≠ V170), I173 (≠ E171), T202 (≠ V200), P203 (≠ F201), L211 (= L209)

6rj5A Crystal structure of phgdh in complex with compound 39 (see paper)
39% identity, 81% coverage: 36:290/316 of query aligns to 35:291/301 of 6rj5A

query
sites
6rj5A

E

E

M

L

E

I

A

A

H

E

L

L

P

Q

E

D

A

C

D

E

Y

G

L

L

V

I

V

V

-

R

G

S

L

A

V

T

P

K

V

V

M

T

A

A

E

D

V

V

L

I

A

N

K

A

G

A

P

E

R

K

L

L

K

Q

G

V

V

V

L

G

K

R

H

A

G

G

V

T

G

G

V

V

D

D

N

N

I

V

D

D

I

L

P

E

A

A

C

A

T

T

A

R

A

K

G

G

L

I

P

L

V

V

T

M

N

N

T

T

P

P

A

N

A

G

N

N

A

S

D

L

A

S

V

A

A

A

E

E

L

L

A

T

M

C

G

G

L

M

M

I

F

M

A

C

M

L

A

A

R

R

F

Q

I

I

P

P

Q

Q

G

A

H

T

A

A

S

S

V

M

T

K

S

D

G

G

G

K

W

W

D

E

R

R

R

K

-

K

-

F

I

M

G

G

T

T

Q

E

L

L

G

N

G

G

K

K

V

T

L

L

G

G

I

I

V
x
L

G

G

L

L

G

G

N

R

I

I

G

G

K

R

R

E

L

V

A

A

R

T

L

R

A

M

R

Q

G

S

L

F

G

G

M

M

E

K

V

T

L

I

A

G

T
x
Y

D
|
D

R
x
P

V

I

E
x
I

D

S

A

P

A

E

F

V

A

S

R

A

D

S

C

F

G

G

V

V

T

Q

Y

Q

L

L

P

P

L

L

E

E

L

I

L

W

A

P

R

L

A

C

D

D

Y

F

V

I

S

T

L

V

H
|
H

V
x
T

F
x
P

G

L

S

P

G

S

N

T

A

T

A

G

L
|
L

I

L

D

N

D

D

R

N

A

T

L

F

A

A

R

Q

L

C

K

K

P

K

G

G

A

V

R

R

L

V

V

V

N

N

L

C

A

A

R

R

G

G

E

G

V

I

V

V

D

D

L

E

D

G

A

A

V

L

G

L

R

R

A

A

L

L

E

Q

S

S

G

G

Q

Q

L

C

G

A

G

G

V

A

A

A

I

L

D

D

A

V

Y

F

V

T

T

E

E

E

P

P

D

R

V

-

S

D

H

R

P

A

V

L

F

V

A

D

H

H

P

E

N

N

A

V

V

I

F

S

T

C

P

P

H

H

S

L

G

G

A

A

D

S

T

T

L

K

E

E

A

A

L

Q

E

S

N

R

V

C

G

G

binding 2-methyl-~{N}-[(1~{R})-1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-5-phenyl-pyrazole-3-carboxamide: L146 (≠ V144), Y169 (≠ T167), D170 (= D168), P171 (≠ R169), I173 (≠ E171), H201 (= H199), T202 (≠ V200), P203 (≠ F201), L211 (= L209)

6plgA Crystal structure of human phgdh complexed with compound 15 (see paper)
39% identity, 81% coverage: 36:290/316 of query aligns to 35:291/303 of 6plgA

query
sites
6plgA

E

E

M

L

E

I

A

A

H

E

L

L

P

Q

E

D

A

C

D

E

Y

G

L

L

V

I

V

V

-

R

G

S

L

A

V

T

P

K

V

V

M

T

A

A

E

D

V

V

L

I

A

N

K

A

G

A

P

E

R

K

L

L

K

Q

G

V

V

V

L

G

K

R

H

A

G

G

V

T

G

G

V

V

D

D

N

N

I

V

D

D

I

L

P

E

A

A

C

A

T

T

A

R

A

K

G

G

L

I

P

L

V

V

T

M

N

N

T

T

P

P

A

N

A

G

N

N

A

S

D

L

A

S

V

A

A

A

E

E

L

L

A

T

M

C

G

G

L

M

M

I

F

M

A

C

M

L

A

A

R

R

F

Q

I

I

P

P

Q

Q

G

A

H

T

A

A

S

S

V

M

T

K

S

D

G

G

G

K

W

W

D

E

R

R

R

K

-

K

-

F

I

M

G

G

T

T

Q

E

L

L

G

N

G

G

K

K

V

T

L

L

G

G

I

I

V

L

G

G

L

L

G
|
G

N
x
R

I

I

G

G

K

R

R

E

L

V

A

A

R

T

L

R

A

M

R

Q

G

S

L

F

G

G

M

M

E

K

V

T

L

I

A

G

T

Y

D
|
D

R
x
P

V
x
I

E
x
I

D

S

A

P

A

E

F

V

A

S

R

A

D

S

C

F

G

G

V

V

T

Q

Y

Q

L

L

P

P

L

L

E

E

L

I

L

W

A

P

R

L

A

C

D

D

Y

F

V

I

S

T

L

V

H
|
H

V
x
T

F

P

G

L

G
x
L

S

P

G

S

N

T

A

T

A

G

L

L

I

L

D

N

D

D

R

N

A

T

L

F

A

A

R

Q

L

C

K

K

P

K

G

G

A

V

R

R

L

V

V

V

N

N

L

C

A

A

R

R

G

G

E

G

V

I

V

V

D

D

L

E

D

G

A

A

V

L

G

L

R

R

A

A

L

L

E

Q

S

S

G

G

Q

Q

L

C

G

A

G

G

V

A

A

A

I

L

D

D

A

V

Y

F

V

T

T

E

E

E

P

P

D

R

V

-

S

D

H

R

P

A

V

L

F

V

A

D

H

H

P

E

N

N

A

V

V

I

F

S

T

C

P

P

H

H

S

L

G

G

A

A

D

S

T

T

L

K

E

E

A

A

L

Q

E

S

N

R

V

C

G

G

binding (2S)-(4-{3-[(4,5-dichloro-1-methyl-1H-indole-2-carbonyl)amino]oxetan-3-yl}phenyl)(pyridin-3-yl)acetic acid: G149 (= G147), R150 (≠ N148), D170 (= D168), P171 (≠ R169), I172 (≠ V170), I173 (≠ E171), H201 (= H199), T202 (≠ V200), L205 (≠ G203)

6plfA Crystal structure of human phgdh complexed with compound 1 (see paper)
39% identity, 81% coverage: 36:290/316 of query aligns to 36:292/305 of 6plfA

query
sites
6plfA

E

E

M

L

E

I

A

A

H

E

L

L

P

Q

E

D

A

C

D

E

Y

G

L

L

V

I

V

V

-

R

G

S

L

A

V

T

P

K

V

V

M

T

A

A

E

D

V

V

L

I

A

N

K

A

G

A

P

E

R

K

L

L

K

Q

G

V

V

V

L

G

K

R

H

A

G

G

V

T

G

G

V

V

D

D

N

N

I

V

D

D

I

L

P

E

A

A

C

A

T

T

A

R

A

K

G

G

L

I

P

L

V

V

T

M

N

N

T

T

P

P

A

N

A

G

N

N

A

S

D

L

A

S

V

A

A

A

E

E

L

L

A

T

M

C

G

G

L

M

M

I

F

M

A

C

M

L

A

A

R

R

F

Q

I

I

P

P

Q

Q

G

A

H

T

A

A

S

S

V

M

T

K

S

D

G

G

G

K

W

W

D

E

R

R

R

K

-

K

-

F

I

M

G

G

T

T

Q

E

L

L

G

N

G

G

K

K

V

T

L

L

G

G

I

I

V

L

G

G

L

L

G

G

N

R

I

I

G

G

K

R

R

E

L

V

A

A

R

T

L

R

A

M

R

Q

G

S

L

F

G

G

M

M

E

K

V

T

L

I

A

G

T
x
Y

D
|
D

R
x
P

V

I

E

I

D

S

A

P

A

E

F

V

A

S

R

A

D

S

C

F

G

G

V

V

T

Q

Y

Q

L

L

P

P

L
|
L

E

E

L

I

L

W

A

P

R

L

A

C

D

D

Y

F

V

I

S

T

L

V

H
|
H

V
x
T

F
x
P

G

L

S

P

G

S

N

T

A

T

A

G

L
|
L

I

L

D

N

D

D

R

N

A

T

L

F

A

A

R

Q

L

C

K

K

P

K

G

G

A

V

R

R

L

V

V

V

N

N

L

C

A

A

R

R

G

G

E

G

V

I

V

V

D

D

L

E

D

G

A

A

V

L

G

L

R

R

A

A

L

L

E

Q

S

S

G

G

Q

Q

L

C

G

A

G

G

V

A

A

A

I

L

D

D

A

V

Y

F

V

T

T

E

E

E

P

P

D

R

V

-

S

D

H

R

P

A

V

L

F

V

A

D

H

H

P

E

N

N

A

V

V

I

F

S

T

C

P

P

H

H

S

L

G

G

A

A

D

S

T

T

L

K

E

E

A

A

L

Q

E

S

N

R

V

C

G

G

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 (≠ T167), D171 (= D168), P172 (≠ R169), L189 (= L186), H202 (= H199), T203 (≠ V200), P204 (≠ F201), L212 (= L209)

6cwaA Crystal structure phgdh in complex with nadh and 3-phosphoglycerate at 1.77 a resolution (see paper)
39% identity, 81% coverage: 36:290/316 of query aligns to 34:290/299 of 6cwaA

query
sites
6cwaA

E

E

M

L

E

I

A

A

H

E

L

L

P

Q

E

D

A

C

D

E

Y

G

L

L

V

I

V

V

-

R

G

S

L

A

V

T

P

K

V

V

M

T

A

A

E

D

V

V

L

I

A

N

K

A

G

A

P

E

R

K

L

L

K

Q

G

V

V

V

L

G

K

R

H

A

G

G

V

T

G

G

V

V

D

D

N

N

I

V

D

D

I

L

P

E

A

A

C

A

T

T

A

R

A

K

G

G

L

I

P

L

V

V

T

M

N

N

T

T

P

P

A

N

A

G

N
|
N

A

S

D

L

A

S

V
x
A

A

A

E

E

L

L

A

T

M

C

G

G

L

M

M

I

F

M

A

C

M

L

A

A

R

R

F

Q

I

I

P

P

Q

Q

G

A

H

T

A

A

S

S

V

M

T

K

S

D

G

G

G

K

W

W

D

E

R

R

R

K

-

K

-

F

I

M

G

G

T

T

Q

E

L

L

G

N

G

G

K

K

V

T

L

L

G

G

I

I

V

L

G

G

L

L

G

G

N
x
R

I
|
I

G

G

K

R

R

E

L

V

A

A

R

T

L

R

A

M

R

Q

G

S

L

F

G

G

M

M

E

K

V

T

L

I

A

G

T
x
Y

D
|
D

R
x
P

V
x
I

E

I

D

S

A

P

A

E

F

V

A

S

R

A

D

S

C

F

G

G

V

V

T

Q

Y

Q

L

L

P

P

L

L

E

E

L

I

L

W

A

P

R

L

A

C

D

D

Y

F

V

I

S

T

L

V

H
|
H

V
x
T

F
x
P

G

L

S

P

G

S

N
x
T

A

T

A

G

L

L

I

L

D

N

D

D

R

N

A

T

L

F

A

A

R

Q

L

C

K

K

P

K

G

G

A

V

R

R

L

V

V

V

N

N

L
x
C

A
|
A

R
|
R

G

G

E

G

V

I

V

V

D

D

L

E

D

G

A

A

V

L

G

L

R

R

A

A

L

L

E

Q

S

S

G

G

Q

Q

L

C

G

A

G

G

V

A

A

A

I

L

D

D

A

V

Y

F

V

T

T

E

E

E

P

P

D

R

V

-

S

D

H

R

P

A

V

L

F

V

A

D

H

H

P

E

N

N

A

V

V

I

F

S

T

C

P

P

H
|
H

S

L

G
|
G

A

A

D

S

T

T

L

K

E

E

A

A

L

Q

E

S

N

R

V

C

G

G

binding 1,4-dihydronicotinamide adenine dinucleotide: N96 (= N97), A100 (≠ V101), R149 (≠ N148), I150 (= I149), Y168 (≠ T167), D169 (= D168), P170 (≠ R169), I171 (≠ V170), H200 (= H199), T201 (≠ V200), P202 (≠ F201), T207 (≠ N206), C228 (≠ L227), A229 (= A228), R230 (= R229), H277 (= H277), G279 (= G279)

6rj2A Crystal structure of phgdh in complex with compound 40 (see paper)
39% identity, 81% coverage: 36:290/316 of query aligns to 32:288/299 of 6rj2A

query
sites
6rj2A

E

E

M

L

E

I

A

A

H

E

L

L

P

Q

E

D

A

C

D

E

Y

G

L

L

V

I

V

V

-

R

G

S

L

A

V

T

P

K

V

V

M

T

A

A

E

D

V

V

L

I

A

N

K

A

G

A

P

E

R

K

L

L

K

Q

G

V

V

V

L

G

K

R

H

A

G

G

V

T

G

G

V

V

D

D

N

N

I

V

D

D

I

L

P

E

A

A

C

A

T

T

A

R

A

K

G

G

L

I

P

L

V

V

T

M

N

N

T

T

P

P

A

N

A

G

N

N

A

S

D

L

A

S

V

A

A

A

E

E

L

L

A

T

M

C

G

G

L

M

M

I

F

M

A

C

M

L

A

A

R

R

F

Q

I

I

P

P

Q

Q

G

A

H

T

A

A

S

S

V

M

T

K

S

D

G

G

G

K

W

W

D

E

R

R

R

K

-

K

-

F

I

M

G

G

T

T

Q

E

L

L

G

N

G

G

K

K

V

T

L

L

G

G

I

I

V

L

G

G

L

L

G
|
G

N

R

I
|
I

G

G

K

R

R

E

L

V

A

A

R

T

L

R

A

M

R

Q

G

S

L

F

G

G

M

M

E

K

V

T

L

I

A

G

T
x
Y

D
|
D

R
x
P

V
x
I

E
x
I

D

S

A

P

A

E

F

V

A

S

R

A

D

S

C

F

G

G

V

V

T

Q

Y

Q

L

L

P

P

L

L

E

E

L

I

L

W

A

P

R

L

A

C

D

D

Y

F

V

I

S

T

L

V

H
|
H

V
x
T

F

P

G

L

S

P

G

S

N

T

A

T

A

G

L
|
L

I

L

D

N

D

D

R

N

A

T

L

F

A

A

R

Q

L

C

K

K

P

K

G

G

A

V

R

R

L

V

V

V

N

N

L

C

A

A

R
|
R

G

G

E

G

V

I

V

V

D

D

L

E

D

G

A

A

V

L

G

L

R

R

A

A

L

L

E

Q

S

S

G

G

Q

Q

L

C

G

A

G

G

V

A

A

A

I

L

D

D

A

V

Y

F

V

T

T

E

E

E

P

P

D

R

V

-

S

D

H

R

P

A

V

L

F

V

A

D

H

H

P

E

N

N

A

V

V

I

F

S

T

C

P

P

H

H

S

L

G

G

A

A

D

S

T

T

L

K

E

E

A

A

L

Q

E

S

N

R

V

C

G

G

binding ~{N}-[(1~{R})-1-[4-(ethanoylsulfamoyl)phenyl]ethyl]-2-methyl-5-phenyl-pyrazole-3-carboxamide: G146 (= G147), I148 (= I149), Y166 (≠ T167), D167 (= D168), P168 (≠ R169), I169 (≠ V170), I170 (≠ E171), H198 (= H199), T199 (≠ V200), L208 (= L209), R228 (= R229)

6plfB Crystal structure of human phgdh complexed with compound 1 (see paper)
39% identity, 76% coverage: 51:290/316 of query aligns to 42:282/292 of 6plfB

query
sites
6plfB

L

I

V

V

P

R

V

S

M

A

A

A

E

D

V

V

L

I

A

N

K

A

G

A

P

E

R

K

L

L

K

Q

G

V

V

V

L

G

K

R

H

A

G

G

V

T

G

G

V

V

D

D

N

N

I

V

D

D

I

L

P

E

A

A

C

A

T

T

A

R

A

K

G

G

L

I

P

L

V

V

T

M

N

N

T

T

P

P

A

N

A

G

N

N

A

S

D

L

A

S

V

A

A

A

E

E

L

L

A

T

M

C

G

G

L

M

M

I

F

M

A

C

M

L

A

A

R

R

F

Q

I

I

P

P

Q

Q

G

A

H

T

A

A

S

S

V

M

T

K

S

D

G

G

G

K

W

W

D

E

R

R

R

K

-

K

-

F

I

M

G

G

T

T

Q

E

L

L

G

N

G

G

K

K

V

T

L

L

G

G

I

I

V

L

G

G

L

L

G

G

N
x
R

I

I

G

G

K

R

R

E

L

V

A

A

R

T

L

R

A

M

R

Q

G

S

L

F

G

G

M

M

E

K

V

T

L

I

A

G

T
x
Y

D
|
D

R
x
P

V

I

E
x
I

D

S

A

P

A

E

F

V

A

S

R

A

D

S

C

F

G

G

V

V

T

Q

Y

Q

L

L

P

P

L
|
L

E

E

L

I

L

W

A

P

R

L

A

C

D

D

Y

F

V

I

S

T

L

V

H

H

V
x
T

F
x
P

G

L

S

P

G
x
S

N

T

A

T

A

G

L
|
L

I

L

D

N

D

D

R

N

A

T

L

F

A

A

R

Q

L

C

K

K

P

K

G

G

A

V

R

R

L

V

V

V

N

N

L

C

A

A

R

R

G

G

E

G

V

I

V

V

D

D

L

E

D

G

A

A

V

L

G

L

R

R

A

A

L

L

E

Q

S

S

G

G

Q

Q

L

C

G

A

G

G

V

A

A

A

I

L

D

D

A

V

Y

F

V

T

T

E

E

E

P

P

D

R

V

-

S

D

H

R

P

A

V

L

F

V

A

D

H

H

P

E

N

N

A

V

V

I

F

S

T

C

P

P

H

H

S

L

G

G

A

A

D

S

T

T

L

K

E

E

A

A

L

Q

E

S

N

R

V

C

G

G

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 (≠ N148), Y160 (≠ T167), D161 (= D168), P162 (≠ R169), I164 (≠ E171), L179 (= L186), T193 (≠ V200), P194 (≠ F201), S198 (≠ G205), L202 (= L209)

5aovA Ternary crystal structure of pyrococcus furiosus glyoxylate hydroxypyruvate reductase in presence of glyoxylate (see paper)
37% identity, 81% coverage: 57:311/316 of query aligns to 60:322/334 of 5aovA

query
sites
5aovA

E

E

V

V

L

F

A

E

K

N

G

A

P

P

R

R

L

L

K

R

G

I

V

V

L

A

K

N

H
x
Y

G
x
A

V
|
V

G
|
G

V

Y

D

D

N

N

I

I

D

D

I

V

P

E

A

E

C

A

T

T

A

R

G

G

L

I

P

Y

V

V

T

T

N

N

T

T

P

P

A

D

A

V

N
x
L

A

T

D

N

A

A

V
x
T

A

A

E

D

L

H

A

A

M

F

G

A

L

L

M

L

F

L

A

A

M

T

A

A

R

R

F

H

I

V

P

V

Q

K

G

G

H

D

A

K

S

F

V

V

T

R

S

S

G

G

G

E

W

W

D

K

R

R

R

K

-

G

-

I

-

A

-

W

-

H

-

P

-

K

-

W

-

F

I

L

G

G

T

Y

Q

E

L

L

G

Y

G

G

K

K

V

T

L

I

G

G

I

I

V

V

G

G

L
x
F

G
|
G

N
x
R

I
|
I

G

G

K

Q

R

A

L

I

A

A

R

R

L

R

A

A

R

K

G

G

L

F

G

N

M

M

E

R

V

I

L

L

A

Y

T

Y

D
x
S

R
|
R

V

T

E

R

D

K

A

S

A

Q

F

A

A

E

R

K

D

E

C

L

G

G

V

A

T

E

Y

Y

L

R

P

P

L

L

E

E

L

V

L

L

A

K

R

E

A

S

D

D

Y

F

V

V

S

I

L

L

H
x
A

V
|
V

F
x
P

G

L

G

T

S

K

G

E

N
x
T

A

M

A

Y

L

M

I

I

D

N

D

E

R

E

A

R

L

L

A

K

R

L

L

M

K

K

P

P

G

T

A

A

R

I

L

L

V

V

N

N

L
x
I

A
|
A

R
|
R

G

G

E

K

V

V

D

D

L

T

D

K

A

A

V

L

G

I

R

K

A

A

L

L

E

K

S

E

G

G

Q

W

L

I

G

A

G

G

V

A

A

G

I

L

D
|
D

A

V

Y

F

V

-

T

E

E

E

P
x
E

P

P

D

Y

V

Y

S

N

H

E

P

E

V

L

F

F

A

S

H

L

P

D

N

N

A

V

V

V

F

L

T

T

P

P

H
|
H

S

I

G
|
G

A

S

D

A

T

T

L

F

E

E

A

A

L

R

E

E

N

A

V

M

G

A

L

E

M

L

V

V

I

A

E

R

D

N

I

L

R

I

T

A

L

F

I

K

A

R

G

G

G

E

R

I

P

P

A

P

R

T

C

L

L

V

N

N

active site: L100 (≠ N97), R241 (= R229), D265 (= D253), E270 (≠ P259), H288 (= H277)
binding glyoxylic acid: Y74 (≠ H71), A75 (≠ G72), V76 (= V73), G77 (= G74), R241 (= R229), H288 (= H277)
binding nadp nicotinamide-adenine-dinucleotide phosphate: V76 (= V73), T104 (≠ V101), F158 (≠ L146), G159 (= G147), R160 (≠ N148), I161 (= I149), S180 (≠ D168), R181 (= R169), A211 (≠ H199), V212 (= V200), P213 (≠ F201), T218 (≠ N206), I239 (≠ L227), A240 (= A228), R241 (= R229), H288 (= H277), G290 (= G279)

Sites not aligning to the query:

binding glyoxylic acid: 52, 53, 53

3dc2A Crystal structure of serine bound d-3-phosphoglycerate dehydrogenase from mycobacterium tuberculosis (see paper)
42% identity, 86% coverage: 33:303/316 of query aligns to 31:303/526 of 3dc2A

query
sites
3dc2A

D

D

A

R

A

D

E

K

M

L

E

L

A

A

H

A

L

V

P

P

E

E

A

A

D

D

Y

A

L

L

V

L

V

V

-

R

G

S

L

A

V

T

P

T

V

V

M

D

A

A

E

E

V

V

L

L

A

A

K

A

G

A

P

P

R

K

L

L

K

K

G

I

V

V

L

A

K

R

H

A

G

G

V

V

G

G

V

L

D

D

N

N

I

V

D

D

I

V

P

D

A

A

C

A

T

T

A

A

A

R

G

G

L

V

P

L

V

V

T

V

N

N

T

A

P

P

A

T

A

S

N
|
N

A

I

D

H

A

S

V

A

A

A

E

E

L

H

A

A

M

L

G

A

L

L

M

L

F

L

A

A

M

A

A

S

R

R

F

Q

I

I

P

P

Q

A

G

A

H

D

A

A

S

S

V

L

T

R

S

E

G

H

G

T

W

W

D

K

R

R

R

S

I

S

-

F

-

S

G

G

T

T

Q

E

L

I

G

F

G

G

K

K

V

T

L

V

G

G

I

V

V

V

G

G

L

L

G

G

N

R

I

I

G

G

K

Q

R

L

L

V

A

A

R

Q

L

R

A

I

R

A

G

A

L

F

G

G

M

A

E

Y

V

V

L

V

A

A

T

Y

D

D

R

P

V

Y

E

V

D

S

A

P

A

A

F

R

A

A

R

A

D

Q

C

L

G

G

V

I

T

E

Y

L

L

L

P

S

L

L

E

D

L

L

A

A

R

R

A

A

D

D

Y

F

V

I

S

S

L

V

H

H

V

L

F

P

G

K

G

T

S

P

G

E

N

T

A

A

A

G

L

L

I

I

D

D

D

K

R

E

A

A

L

L

A

A

R

K

L

T

K

K

P

P

G

G

A

V

R

I

L

I

V

V

N

N

L

A

A

A

R
|
R

G

G

E

G

V

L

V

V

D

D

L

E

D

A

A

A

V

L

G

A

R

D

A

A

L

I

E

T

S

G

G

G

Q

H

L

V

G

R

G

A

V

A

A

G

I

L

D
|
D

A

V

Y

F

V

A

T

T

E
|
E

P

P

P

C

D

-

V

T

S

D

H

S

P

P

V

L

F

F

A

E

H

L

P

A

N

Q

A

V

V

V

F

V

T

T

P

P

H
|
H

S

L

G

G

A

A

D

S

T

T

L

A

E

E

A

A

L

Q

E

D

N

R

V

A

G

G

L

T

M

D

V

V

I

A

E

E

D

S

I

V

R

R

T

L

L

A

I

L

A

A

G

G

active site: N96 (= N97), R230 (= R229), D254 (= D253), E259 (= E258), H277 (= H277)

Sites not aligning to the query:

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

3ddnB Crystal structure of hydroxypyruvic acid phosphate bound d-3- phosphoglycerate dehydrogenase in mycobacterium tuberculosis (see paper)
42% identity, 86% coverage: 33:303/316 of query aligns to 32:304/525 of 3ddnB

query
sites
3ddnB

D

D

A

R

A

D

E

K

M

L

E

L

A

A

H

A

L

V

P

P

E

E

A

A

D

D

Y

A

L

L

V

L

V

V

-

R

G

S

L

A

V

T

P

T

V

V

M

D

A

A

E

E

V

V

L

L

A

A

K

A

G

A

P

P

R

K

L

L

K

K

G

I

V

V

L

A

K
x
R

H

A

G

G

V
|
V

G

G

V

L

D

D

N

N

I

V

D

D

I

V

P

D

A

A

C

A

T

T

A

A

A

R

G

G

L

V

P

L

V

V

T

V

N

N

T

A

P

P

A

T

A

S

N
|
N

A

I

D

H

A

S

V

A

A

A

E

E

L

H

A

A

M

L

G

A

L

L

M

L

F

L

A

A

M

A

A

S

R

R

F

Q

I

I

P

P

Q

A

G

A

H

D

A

A

S

S

V

L

T

R

S

E

G

H

G

T

W

W

D

K

R

R

R

S

I

S

-

F

-

S

G

G

T

T

Q

E

L

I

G

F

G

G

K

K

V

T

L

V

G

G

I

V

V

V

G

G

L

L

G

G

N

R

I

I

G

G

K

Q

R

L

L

V

A

A

R

Q

L

R

A

I

R

A

G

A

L

F

G

G

M

A

E

Y

V

V

L

V

A

A

T

Y

D

D

R

P

V

Y

E

V

D

S

A

P

A

A

F

R

A

A

R

A

D

Q

C

L

G

G

V

I

T

E

Y

L

L

L

P

S

L

L

E

D

L

L

A

A

R

R

A

A

D

D

Y

F

V

I

S

S

L

V

H

H

V

L

F

P

G

K

G

T

S

P

G

E

N

T

A

A

A

G

L

L

I

I

D

D

D

K

R

E

A

A

L

L

A

A

R

K

L

T

K

K

P

P

G

G

A

V

R

I

L

I

V

V

N

N

L

A

A

A

R
|
R

G

G

E

G

V

L

V

V

D

D

L

E

D

A

A

A

V

L

G

A

R

D

A

A

L

I

E

T

S

G

G

G

Q

H

L

V

G

R

G

A

V

A

A

G

I

L

D
|
D

A

V

Y

F

V

A

T

T

E
|
E

P

P

P

C

D

-

V

T

S

D

H

S

P

P

V

L

F

F

A

E

H

L

P

A

N

Q

A

V

V

V

F

V

T

T

P

P

H
|
H

S

L

G

G

A
|
A

D

S

T

T

L

A

E

E

A

A

L
x
Q

E

D

N

R

V

A

G

G

L

T

M

D

V

V

I

A

E

E

D

S

I

V

R

R

T

L

L

A

I

L

A

A

G

G

active site: N97 (= N97), R231 (= R229), D255 (= D253), E260 (= E258), H278 (= H277)
binding 2-oxo-3-(phosphonooxy)propanoic acid: R70 (≠ K70), V73 (= V73), N97 (= N97), A281 (= A280), Q287 (≠ L286)

1wwkA Crystal structure of phosphoglycerate dehydrogenase from pyrococcus horikoshii ot3
38% identity, 79% coverage: 54:303/316 of query aligns to 53:304/304 of 1wwkA

query
sites
1wwkA

V

V

M

T

A

R

E

R

V

V

L

I

A

E

K

S

G

A

P

P

R

K

L

L

K

K

G

V

V

I

L

A

K

R

H

A

G

G

V

V

G

G

V

L

D

D

N

N

I

I

D

D

I

V

P

E

A

A

C

A

T

K

A

E

A

K

G

G

L

I

P

E

V

V

T

V

N

N

T

A

P

P

A

A

N
x
S

A

S

D

R

A

S

V
|
V

A

A

E

E

L

L

A

A

M

V

G

G

L

L

M

M

F

F

A

S

M

V

A

A

R

R

F

K

I

I

P

A

Q

F

G

A

H

D

A

R

S

K

V

M

T

R

S

E

G

G

G

V

W

W

D

A

R

K

-

E

-

A

I

M

G

G

T

I

Q

E

L

L

G

E

G

G

K

K

V

T

L

I

G

G

I

I

V

I

G
|
G

L
x
F

G
|
G

N
x
R

I
|
I

G

G

K

Y

R

Q

L

V

A

A

R

K

L

I

A

A

R

N

G

A

L

L

G

G

M

M

E

N

V

I

L

L

A

L

T
x
Y

D
|
D

R
x
P

V

Y

E

P

D

N

A

E

F

R

A

A

R

K

D

E

C

V

G

N

V

G

T

K

Y

F

L

V

P

D

L

L

E

E

E

T

L

L

A

K

R

E

A

S

D

D

Y

V

V

V

S

T

L

I

H

H

V
|
V

F
x
P

G

L

G

V

S

E

G

S

N
x
T

A

Y

A

H

L

L

I

I

D

N

D

E

R

E

A

R

L

L

A

K

R

L

L

M

K

K

P

K

G

T

A

A

R

I

L

L

V

I

N

N

L
x
T

A
x
S

R
|
R

G

G

E

P

V

V

D

D

L

T

D

N

A

A

V

L

G

V

R

K

A

A

L

L

E

K

S

E

G

G

Q

W

L

I

G

A

G

G

V

A

A

G

I

L

D
|
D

A

V

Y

F

V

E

T

E

E
|
E

P

P

P

L

D

P

V

K

S

D

H

H

P

P

V

L

F

T

A

K

H

F

P

D

N

N

A

V

V

V

F

L

T

T

P

P

H
|
H

S

I

G
|
G

A

A

D

S

T

T

L

V

E

E

A

A

L

Q

E

E

N

R

V

A

G

G

L

V

M

E

V

V

I

A

E

E

D

K

I

V

R

V

T

K

L

I

I

L

A

K

G

G

active site: S96 (≠ N97), R230 (= R229), D254 (= D253), E259 (= E258), H278 (= H277)
binding nicotinamide-adenine-dinucleotide: V100 (= V101), G146 (= G145), F147 (≠ L146), G148 (= G147), R149 (≠ N148), I150 (= I149), Y168 (≠ T167), D169 (= D168), P170 (≠ R169), V201 (= V200), P202 (≠ F201), T207 (≠ N206), T228 (≠ L227), S229 (≠ A228), D254 (= D253), H278 (= H277), G280 (= G279)

6biiA Crystal structure of pyrococcus yayanosii glyoxylate hydroxypyruvate reductase in complex with NADP and malonate (re-refinement of 5aow) (see paper)
39% identity, 81% coverage: 57:311/316 of query aligns to 59:321/332 of 6biiA

query
sites
6biiA

E

E

V

V

L

F

A

D

K

A

G

A

P

P

R

R

L

L

K

R

G

I

V

V

L

A

K

N

H

Y

G

A

V
|
V

G

G

V

Y

D

D

N

N

I

I

D

D

I

I

P

E

A

E

C

A

T

T

A

K

A

R

G

G

L

I

P

Y

V

V

T

T

N

N

T

T

P

P

A

D

A

V

N
x
L

A

T

D

D

A

A

V
x
T

A

A

E

D

L

L

A

A

M

W

G

A

L

L

M

L

F

L

A

A

M

A

A

A

R

R

F

H

I

V

P

V

Q

K

G

G

H

D

A

K

S

F

V

V

T

R

S

S

G

G

G

E

W

W

D

K

R

R

-

G

-

I

-

A

-

W

-

H

-

P

-

K

-

M

-

F

I

L

G

G

T

Y

Q

D

L

V

G

Y

G

G

K

K

V

T

L

I

G

G

I

I

V

V

G
|
G

L
x
F

G
|
G

N
x
R

I
|
I

G

G

K

Q

R

A

L

I

A

A

R

K

L

R

A

A

R

K

G

G

L

F

G

G

M

M

E

R

V

I

L

L

A

Y

T

T

D
x
A

R
|
R

V
x
S

E

R

D
x
K

A

P

A

E

F

A

A

E

R

K

D

E

C

L

G

G

V

A

T

E

Y

F

L

K

P

P

L

L

E

E

L

L

A

R

R

E

A

S

D

D

Y

F

V

V

S

V

L

L

H

A

V
|
V

F
x
P

G

L

G

T

S

K

G
x
E

N
x
T

A

Y

A

H

L

M

I

I

D

N

D

E

R

E

A

R

L

L

A

R

R

L

L

M

K

K

P

P

G

T

A

A

R

V

L

L

V

V

N

N

L
x
V

A
|
A

R
|
R

G

G

E

K

V

V

D

D

L

T

D

K

A

A

V

L

G

I

R

R

A

A

L

L

E

K

S

E

G

G

Q

W

L

I

G

A

V

A

A

G

I

L

D
|
D

A

V

Y

F

V

-

T

E

E

E

P
x
E

P

P

D

Y

V

Y

S

D

H

E

P

E

V

L

F

F

A

A

H

L

P

D

N

N

A

V

V

V

F

L

T

T

P

P

H
|
H

S

I

G
|
G

A

S

D

A

T

T

L

F

E

G

A

A

L

R

E

E

N

G

V

M

G

A

L

E

M

L

V

V

I

A

E

K

D

N

I

L

R

I

T

A

L

F

I

K

A

N

G

G

G

E

R

V

P

P

A

P

R

T

C

L

L

V

N

N

active site: L99 (≠ N97), R240 (= R229), D264 (= D253), E269 (≠ P259), H287 (= H277)
binding nadp nicotinamide-adenine-dinucleotide phosphate: V75 (= V73), T103 (≠ V101), G156 (= G145), F157 (≠ L146), G158 (= G147), R159 (≠ N148), I160 (= I149), A179 (≠ D168), R180 (= R169), S181 (≠ V170), K183 (≠ D172), V211 (= V200), P212 (≠ F201), E216 (≠ G205), T217 (≠ N206), V238 (≠ L227), A239 (= A228), R240 (= R229), D264 (= D253), H287 (= H277), G289 (= G279)

7cvpA The crystal structure of human phgdh from biortus.
37% identity, 74% coverage: 57:290/316 of query aligns to 2:245/254 of 7cvpA

query
sites
7cvpA

E

K

V

V

L

L

A

I

K

S

G

D

P

P

R

C

L

C

K

R

G

K

V

I

L

L

K

Q

H

D

G

G

V

E

G

L

V

Q

D

D

-

C

-

E

-

G

-

L

-

I

-

V

-

R

-

S

-

V

N

T

I

A

D

D

I

V

P

I

A

V

C

V

T

G

A

R

A

A

G

G

L

T

P

L

V

V

T

M

N

N

T

T

P

P

A

N

A

G

N

N

A

S

D

L

A

S

V

A

A

A

E

E

L

L

A

T

M

C

G

G

L

M

M

I

F

M

A

C

M

L

A

A

R

R

F

Q

I

I

P

P

Q

Q

G

A

H

T

A

A

S

S

V

M

T

K

S

D

G

G

G

K

W

W

D

E

R

R

R

K

-

K

-

F

I

M

G

G

T

T

Q

E

L

L

G

N

G

G

K

K

V

T

L

L

G

G

I

I

V

L

G
|
G

L

L

G
|
G

N
x
R

I
|
I

G

G

K

R

R

E

L

V

A

A

R

T

L

R

A

M

R

Q

G

S

L

F

G

G

M

M

E

K

V

T

L

I

A

G

T
x
Y

D
|
D

R
x
P

V
x
I

E

I

D

S

A

P

A

E

F

V

A

S

R

A

D

S

C

F

G

G

V

V

T

Q

Y

Q

L

L

P

P

L

L

E

E

L

I

L

W

A

P

R

L

A

C

D

D

Y

F

V

I

S

T

L

V

H
|
H

V
x
T

F
x
P

G

L

S

P

G

S

N
x
T

A

T

A

G

L

L

I

L

D

N

D

D

R

N

A

T

L

F

A

A

R

Q

L

C

K

K

P

K

G

G

A

V

R

R

L

V

V

V

N

N

L
x
C

A
|
A

R
|
R

G

G

E

G

V

I

V

V

D

D

L

E

D

G

A

A

V

L

G

L

R

R

A

A

L

L

E

Q

S

S

G

G

Q

Q

L

C

G

A

G

G

V

A

A

A

I

L

D

D

A

V

Y

F

V

T

T

E

E

E

P

P

D

R

V

-

S

D

H

R

P

A

V

L

F

V

A

D

H

H

P

E

N

N

A

V

V

I

F

S

T

C

P

P

H
|
H

S

L

G
|
G

A

A

D

S

T

T

L

K

E

E

A

A

L

Q

E

S

N

R

V

C

G

G

binding nicotinamide-adenine-dinucleotide: G101 (= G145), G103 (= G147), R104 (≠ N148), I105 (= I149), Y123 (≠ T167), D124 (= D168), P125 (≠ R169), I126 (≠ V170), H155 (= H199), T156 (≠ V200), P157 (≠ F201), T162 (≠ N206), C183 (≠ L227), A184 (= A228), R185 (= R229), H232 (= H277), G234 (= G279)

7va1A Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with gdd-04-35
40% identity, 60% coverage: 97:285/316 of query aligns to 1:190/193 of 7va1A

query
sites
7va1A

N

N

A

S

D

L

A

S

V

A

A

A

E

E

L

L

A

T

M

C

G

G

L

M

M

I

F

M

A

C

M

L

A

A

R

R

F

Q

I

I

P

P

Q

Q

G

A

H

T

A

A

S

S

V

M

T

K

S

D

G

G

G

K

W

W

D

E

R

R

R

K

-

K

-

F

I

M

G

G

T

T

Q

E

L

L

G

N

G

G

K

K

V

T

L

L

G

G

I

I

V
x
L

G

G

L

L

G
|
G

N

R

I

I

G

G

K
x
R

R

E

L

V

A

A

R

T

L

R

A

M

R

Q

G

S

L

F

G

G

M

M

E

K

V

T

L

I

A

G

T
x
Y

D
|
D

R
x
P

V
x
I

E
x
I

D

S

A

P

A

E

F

V

A

S

R

A

D

S

C

F

G

G

V

V

T

Q

Y

Q

L

L

P

P

L

L

E

E

L

I

L

W

A

P

R

L

A

C

D

D

Y

F

V

I

S

T

L

V

H

H

V
x
T

F
x
P

G

L

S

P

G

S

N

T

A

T

A

G

L
|
L

I

L

D

N

D

D

R

N

A

T

L

F

A

A

R

Q

L

C

K

K

P

K

G

G

A

V

R

R

L

V

V

V

N

N

L

C

A

A

R

R

G

G

E

G

V

I

V

V

D

D

L

E

D

G

A

A

V

L

G

L

R

R

A

A

L

L

E

Q

S

S

G

G

Q

Q

L

C

G

A

G

G

V

A

A

A

I

L

D

D

A

V

Y

F

V

T

T

E

E

E

P

P

D

R

V

-

S

D

H

R

P

A

V

L

F

V

A

D

H

H

P

E

N

N

A

V

V

I

F

S

T

C

P

P

H

H

S

L

G

G

A

A

D

S

T

T

L

K

E

E

A

A

binding 4-[(3-ethanoylphenyl)sulfamoyl]-~{N}-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide: L50 (≠ V144), G53 (= G147), R57 (≠ K151), Y73 (≠ T167), D74 (= D168), P75 (≠ R169), I76 (≠ V170), I77 (≠ E171), T106 (≠ V200), P107 (≠ F201), L115 (= L209)

5ofwA Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with 3-chloro-4-fluorobenzamide (see paper)
40% identity, 60% coverage: 97:285/316 of query aligns to 3:192/195 of 5ofwA

query
sites
5ofwA

N
|
N

A

S

D

L

A

S

V

A

A

A

E

E

L

L

A

T

M

C

G

G

L

M

M

I

F

M

A

C

M

L

A

A

R

R

F

Q

I

I

P

P

Q

Q

G

A

H

T

A

A

S

S

V

M

T

K

S

D

G

G

G

K

W

W

D

E

R

R

R

K

-

K

-

F

I

M

G

G

T

T

Q

E

L

L

G

N

G

G

K

K

V

T

L

L

G

G

I

I

V

L

G
|
G

L

L

G

G

N

R

I

I

G

G

K

R

R

E

L

V

A

A

R

T

L

R

A

M

R

Q

G

S

L

F

G

G

M

M

E

K

V

T

L

I

A

G

T
x
Y

D

D

R
x
P

V

I

E

I

D

S

A

P

A

E

F

V

A

S

R

A

D

S

C

F

G

G

V

V

T

Q

Y

Q

L

L

P

P

L

L

E

E

L

I

L

W

A

P

R

L

A

C

D

D

Y

F

V

I

S

T

L

V

H

H

V
x
T

F

P

G

L

S

P

G
x
S

N
x
T

A

T

A

G

L
|
L

I

L

D

N

D

D

R

N

A

T

L

F

A

A

R

Q

L

C

K

K

P

K

G

G

A

V

R

R

L

V

V

V

N

N

L

C

A

A

R
|
R

G

G

E

G

V

I

V

V

D

D

L

E

D

G

A

A

V

L

G

L

R

R

A

A

L

L

E

Q

S

S

G

G

Q

Q

L

C

G

A

G

G

V

A

A

A

I

L

D
|
D

A

V

Y

F

V

T

T

E

E
|
E

P

P

D

R

V

-

S

D

H

R

P

A

V

L

F

V

A

D

H

H

P

E

N

N

A

V

V

I

F

S

T

C

P

P

H
|
H

S

L

G

G

A

A

D

S

T

T

L

K

E

E

A

A

active site: N3 (= N97), R137 (= R229), D161 (= D253), E166 (= E258), H184 (= H277)
binding 3-chloranyl-4-fluoranyl-benzamide: G53 (= G145), Y75 (≠ T167), P77 (≠ R169), T108 (≠ V200), S113 (≠ G205), T114 (≠ N206), L117 (= L209)

5ofvA Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with 5-fluoro-2-methylbenzoic acid (see paper)
40% identity, 60% coverage: 97:285/316 of query aligns to 3:192/195 of 5ofvA

query
sites
5ofvA

N
|
N

A

S

D

L

A

S

V

A

A

A

E

E

L

L

A

T

M

C

G

G

L

M

M

I

F

M

A

C

M

L

A

A

R

R

F

Q

I

I

P

P

Q

Q

G

A

H

T

A

A

S

S

V

M

T

K

S

D

G

G

G

K

W

W

D

E

R

R

R

K

-

K

-

F

I

M

G

G

T

T

Q

E

L

L

G

N

G

G

K

K

V

T

L

L

G

G

I

I

V

L

G

G

L

L

G

G

N

R

I

I

G

G

K

R

R

E

L

V

A

A

R

T

L

R

A

M

R

Q

G

S

L

F

G

G

M

M

E

K

V

T

L

I

A

G

T
x
Y

D

D

R
x
P

V

I

E

I

D

S

A

P

A

E

F

V

A

S

R

A

D

S

C

F

G

G

V

V

T

Q

Y

Q

L

L

P

P

L

L

E

E

L

I

L

W

A

P

R

L

A

C

D

D

Y

F

V

I

S

T

L

V

H

H

V
x
T

F

P

G

L

S

P

G

S

N
x
T

A

T

A

G

L

L

I

L

D

N

D

D

R

N

A

T

L

F

A

A

R

Q

L

C

K

K

P

K

G

G

A

V

R

R

L

V

V

V

N

N

L

C

A

A

R
|
R

G

G

E

G

V

I

V

V

D

D

L

E

D

G

A

A

V

L

G

L

R

R

A

A

L

L

E

Q

S

S

G

G

Q

Q

L

C

G

A

G

G

V

A

A

A

I

L

D
|
D

A

V

Y

F

V

T

T

E

E
|
E

P

P

D

R

V

-

S

D

H

R

P

A

V

L

F

V

A

D

H

H

P

E

N

N

A

V

V

I

F

S

T

C

P

P

H
|
H

S

L

G

G

A

A

D

S

T

T

L

K

E

E

A

A

active site: N3 (= N97), R137 (= R229), D161 (= D253), E166 (= E258), H184 (= H277)
binding 5-fluoranyl-2-methyl-benzoic acid: Y75 (≠ T167), P77 (≠ R169), T108 (≠ V200), T114 (≠ N206)

Query Sequence

>WP_011842048.1 NCBI__GCF_000015985.1:WP_011842048.1
MTVVLTTSPGFGRHGRVPARIEAEGWTFLRAADAAEMEAHLPEADYLVVGLVPVMAEVLA
KGPRLKGVLKHGVGVDNIDIPACTAAGLPVTNTPAANADAVAELAMGLMFAMARFIPQGH
ASVTSGGWDRRIGTQLGGKVLGIVGLGNIGKRLARLARGLGMEVLATDRVEDAAFARDCG
VTYLPLEELLARADYVSLHVFGGSGNAALIDDRALARLKPGARLVNLARGEVVDLDAVGR
ALESGQLGGVAIDAYVTEPPDVSHPVFAHPNAVFTPHSGADTLEALENVGLMVIEDIRTL
IAGGRPARCLNAAELG

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