SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_012409720.1 NCBI__GCF_000020025.1:WP_012409720.1 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)

6ih6A Phosphite dehydrogenase mutant i151r/p176r/m207a from ralstonia sp. 4506 in complex with non-natural cofactor nicotinamide cytosine dinucleotide
64% identity, 100% coverage: 1:329/330 of query aligns to 1:329/330 of 6ih6A

query
sites
6ih6A

M

M

K

K

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P

K

K

V

V

I

L

T

T

H

H

W

W

V

V

H

H

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E

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I

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N

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L

S

S

E

A

Y

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C

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E

D

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N

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T

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R

E

E

T

T

L

L

P

P

R

R

E

S

E

E

I

V

L

I

K

A

L

R

A

A

Q

K

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D

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E

D

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A

L

L

M

M

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A

F

F

M

M

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P

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I

A

G

G

A

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A

L

L

K

K

G

G

Y

Y

D

D

N

N

F

F

D

D

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V

D

N

A

A

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H

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x
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F

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T

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x
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P

binding [[(2S,3S,4R,5S)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4R,5S)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate: T104 (= T104), R151 (≠ V151), G154 (= G154), A155 (≠ S155), V156 (≠ L156), D175 (= D175), A207 (≠ M207), V208 (= V208), P209 (= P209), T214 (= T214), A235 (≠ P235), C236 (= C236), R237 (= R237)

4e5kA Thermostable phosphite dehydrogenase in complex with NAD and sulfite (see paper)
54% identity, 99% coverage: 1:327/330 of query aligns to 1:326/329 of 4e5kA

query
sites
4e5kA

M

M

K

L

P

P

K

K

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L

V

V

I

I

T

T

H

H

W

R

V

V

H

H

P

E

E

E

I

I

I

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N

L

L

L

S

A

E

P

Y

H

C

C

E

E

V

L

V

I

A

T

N

N

P

Q

T

T

R

D

E

S

T

T

L

L

P

T

R

R

E

E

I

I

L

L

K

R

L

R

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C

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R

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D

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A

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M

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M

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M

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D

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Y

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D

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N

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E

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x
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x
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L

L

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N

P

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H

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L

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N

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A

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L

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K

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P

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R

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D

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W

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Q

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P

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P

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K

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N

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-

T

T

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L

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P

H
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L

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G
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G

S

S

A

A

V

V

D

R

D

A

L

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Y

L

D

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A

E

I

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N

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A

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G

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V

N

N

active site: L100 (= L100), R237 (= R237), D261 (= D261), E266 (= E266), H292 (= H293)
binding nicotinamide-adenine-dinucleotide: K76 (= K76), G77 (= G77), L100 (= L100), T104 (= T104), G152 (= G152), G154 (= G154), A155 (≠ S155), I156 (≠ L156), H174 (≠ T174), E175 (≠ D175), A176 (= A176), A207 (≠ M207), L208 (≠ V208), P209 (= P209), P235 (= P235), C236 (= C236), R237 (= R237), D261 (= D261), H292 (= H293), G294 (= G295)
binding sulfite ion: M53 (= M53), L75 (= L75), K76 (= K76), G77 (= G77), L100 (= L100), R237 (= R237), H292 (= H293)

4e5pA Thermostable phosphite dehydrogenase a176r variant in complex with nad (see paper)
54% identity, 99% coverage: 1:327/330 of query aligns to 1:326/332 of 4e5pA

query
sites
4e5pA

M

M

K

L

P

P

K

K

V

L

V

V

I

I

T

T

H

H

W

R

V

V

H

H

P

E

E

E

I

I

I

L

T

Q

N

L

L

L

S

A

E

P

Y

H

C

C

E

E

V

L

V

I

A

T

N

N

P

Q

T

T

R

D

E

S

T

T

L

L

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R

R

E

E

I

I

L

L

K

R

L

R

A

C

Q

R

D

D

A

A

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Q

A

A

L

M

M

M

V

A

F

F

M

M

P

P

D

D

R

R

I

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D

D

E

A

A

D

F

F

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K

Q

A

A

C

C

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P

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E

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L

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V

I

I

A

G

G

C

A

A

L

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K
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K

G

G

Y

F

D

D

N

N

F

F

D

D

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V

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D

A

A

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C

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R

G

G

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W

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L

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E

L

L

T

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I

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G

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Y

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A

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W

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x
A

A
x
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A

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A

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V

S

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V

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L

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x
L

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L

L

Q

N

P

A

E

D

T
|
T

F

L

H

H

L

L

I

V

N

N

E

A

K

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L

L

A

A

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M

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D

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E
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D

D

W

W

A

A

R

R

S

A

D

D

R

R

P

P

S

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K

Q

I

I

P

D

P

P

S

A

L

L

E

A

K

H

Q

P

D

N

Q

-

T

T

F

L

F

F

T

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P

P

H
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H

L

I

G

G

S

S

A

A

V

V

D

R

D

A

L

V

R

R

Y

L

D

E

I

I

A

E

I

R

E

C

A

A

S

A

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Q

N

N

I

I

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L

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A

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Q

A

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G

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N

active site: L100 (= L100), R237 (= R237), D261 (= D261), E266 (= E266), H292 (= H293)
binding nicotinamide-adenine-dinucleotide: K76 (= K76), L100 (= L100), T104 (= T104), G154 (= G154), A155 (≠ S155), I156 (≠ L156), A175 (≠ D175), R176 (≠ A176), L208 (≠ V208), P209 (= P209), T214 (= T214), P235 (= P235), C236 (= C236), R237 (= R237), H292 (= H293)

4e5mA Thermostable phosphite dehydrogenase e175a/a176r in complex with NADP (see paper)
54% identity, 99% coverage: 1:327/330 of query aligns to 1:326/329 of 4e5mA

query
sites
4e5mA

M

M

K

L

P

P

K

K

V

L

V

V

I

I

T

T

H

H

W

R

V

V

H

H

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E

E

E

I

I

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N

L

L

L

S

A

E

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Y

H

C

C

E

E

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N

N

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E

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T

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L

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R

E

E

I

I

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A

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M

M

M

V

A

F

F

M

M

P

P

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R

I

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D

D

E

A

A

D

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F

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A

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P

P

K

E

L

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K

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I

V

I

I

A

G

G

C

A

A

L

L

K
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G

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Y

F

D

D

N

N

F

F

D

D

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V

D

D

A

A

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G

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L

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x
R

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L

L

L

M

A

V
x
L

P
|
P

L

L

Q

N

P

A

E

D

T
|
T

F

L

H

H

L

L

I

V

N

N

E

A

K

E

S

L

L

L

A

A

R

L

M

V

K

R

P

P

G

G

S

A

F

L

L

L

I

V

N

N

P
|
P

C
|
C

R
|
R

G

G

S

S

V

V

D

D

E

E

Q

A

A

A

V

V

S

L

D

A

A

A

L

L

A

E

S

R

G

G

H

Q

L

L

A

G

G

G

Y

Y

A

A

D
|
D

V

V

F

F

E

E

L

M

E
|
E

D

D

W

W

A

A

R

R

S

A

D

D

R

R

P

P

S

Q

K

Q

I

I

P

D

P

P

S

A

L

L

E

A

K

H

Q

P

D

N

Q

-

T

T

F

L

F

F

T

T

P

P

H
|
H

L

I

G
|
G

S

S

A

A

V

V

D

R

D

A

L

V

R

R

Y

L

D

E

I

I

A

E

I

R

E

C

A

A

S

A

Q

Q

N

N

I

I

L

L

Q

Q

V

A

L

L

Q

A

G

G

H

E

S

R

P

P

Q

I

G

N

A

A

I

V

N

N

active site: L100 (= L100), R237 (= R237), D261 (= D261), E266 (= E266), H292 (= H293)
binding nadp nicotinamide-adenine-dinucleotide phosphate: K76 (= K76), L100 (= L100), T104 (= T104), G154 (= G154), A155 (≠ S155), I156 (≠ L156), R176 (≠ A176), L208 (≠ V208), P209 (= P209), T214 (= T214), P235 (= P235), C236 (= C236), R237 (= R237), H292 (= H293), G294 (= G295)

5aovA Ternary crystal structure of pyrococcus furiosus glyoxylate hydroxypyruvate reductase in presence of glyoxylate (see paper)
36% identity, 99% coverage: 1:327/330 of query aligns to 1:322/334 of 5aovA

query
sites
5aovA

M

M

K

K

P

P

K

K

V

V

V

F

I

I

T

T

H

R

W

A

V

I

H

P

P

E

E

N

I

G

I

I

T

N

N

M

L

L

S

E

E

E

Y

E

C

F

E

E

V

V

V

E

A

V

N

W

P

E

T

E

R

E

E

R

T

E

L

I

P

P

R

R

E

E

E

K

I

L

L

L

K

E

L

K

A

V

Q

K

D

D

A

V

E

D

A

A

L

L

M

V

V

T

F
x
M

M
x
L

P

S

D

E

R

R

I

I

D

D

E

Q

A

E

F

V

L

F

K

E

A

N

C

A

P

P

K

R

L

L

K

R

I

I

I

V

A

A

G

N

A
x
Y

L
x
A

K
x
V

G
|
G

Y

Y

D

D

N

N

F

I

D

D

V

V

D

E

A

E

C

A

T

T

R

R

Q

R

G

G

I

I

W

Y

F

V

T

T

I

N

V

T

P

P

S

D

L

V

L
|
L

A

T

V

N

P

A

T
|
T

A

A

E

D

L

H

T

A

I

F

G

A

L

L

I

L

G

A

L

T

A

A

R

R

Q

H

M

V

L

V

L

K

G

G

D

D

R

K

L

F

I

V

R

R

Q

S

G

G

T

E

F

W

A

K

-

R

-

K

-

G

-

I

G

A

W

W

R

H

P

P

H

K

L

W

Y

F

-

L

G

G

M

Y

G

E

L

L

A

Y

N

G

R

K

T

T

L

I

G

G

I

I

V

V

G

G

M
x
F

G
|
G

S
x
R

L
x
I

G

G

Q

Q

A

A

L

I

A

A

Q

R

R

R

L

A

S

K

S

G

F

F

E

N

M

M

N

R

L

I

I

L

Y

Y

-

Y

-
x
S

-
x
R

T

T

D

R

A

K

I

S

P

Q

L

A

P

E

K

K

E

E

K

L

A

G

A

A

A

E

W

Y

C

R

L

-

S

-

Q

-

V

-

S

P

L

L

D

E

T

E

L

V

L

L

A

K

T

E

S

S

D

D

F

F

V

V

V

I

L

L

M
x
A

V
|
V

P
|
P

L

L

Q

T

P

K

E

E

T
|
T

F

M

H

Y

L

M

I

I

N

N

E

E

K

E

S

R

L

L

A

K

R

L

M

M

K

K

P

P

G

T

S

A

F

I

L

L

I

V

N

N

P
x
I

C
x
A

R
|
R

G

G

S

K

V

V

D

D

E

T

Q

K

A

A

V

L

S

I

D

K

A

A

L

L

A

K

S

E

G

G

H

W

L

I

A

A

G

G

Y

A

A

G

A

L

D
|
D

V

V

F

F

E

E

L

E

E
|
E

D

P

W

Y

A

Y

R

N

S

E

D

E

R

-

P

-

S

-

K

-

I

-

P

-

S

-

L

-

L

L

E

F

K

S

Q

L

D

D

Q

N

T

V

F

V

F

L

T

T

P

P

H
|
H

L

I

G
|
G

S

S

A

A

V

T

D

F

D

E

L

A

R

R

Y

E

D

A

I

M

A

A

I

E

E

L

A

V

S

A

Q

R

N

N

I

L

L

I

Q

A

V

F

L

K

Q

R

G

G

H

E

S

I

P

P

Q

P

G

T

A

L

I

V

N

N

active site: L100 (= L100), R241 (= R237), D265 (= D261), E270 (= E266), H288 (= H293)
binding glyoxylic acid: M52 (≠ F52), L53 (≠ M53), L53 (≠ M53), Y74 (≠ A74), A75 (≠ L75), V76 (≠ K76), G77 (= G77), R241 (= R237), H288 (= H293)
binding nadp nicotinamide-adenine-dinucleotide phosphate: V76 (≠ K76), T104 (= T104), F158 (≠ M153), G159 (= G154), R160 (≠ S155), I161 (≠ L156), S180 (vs. gap), R181 (vs. gap), A211 (≠ M207), V212 (= V208), P213 (= P209), T218 (= T214), I239 (≠ P235), A240 (≠ C236), R241 (= R237), H288 (= H293), G290 (= G295)

6biiA Crystal structure of pyrococcus yayanosii glyoxylate hydroxypyruvate reductase in complex with NADP and malonate (re-refinement of 5aow) (see paper)
36% identity, 99% coverage: 2:327/330 of query aligns to 1:321/332 of 6biiA

query
sites
6biiA

K

K

P

P

K

K

V

V

V

L

I

I

T

T

H

R

W

A

V

I

H

P

P

E

E

N

I

G

I

I

T

E

N

L

L

L

S

R

E

E

Y

H

C

F

E

E

V

V

V

E

A

V

N

W

P

E

T

H

R

E

E

H

T

E

L

I

P

P

R

R

E

E

E

V

I

L

L

L

K

E

L

K

A

V

Q

K

D

D

A

V

E

D

A

A

L

L

M

V

V

T

F

M

M

L

P

S

D

E

R

K

I

I

D

D

E

R

A

E

F

V

L

F

K

D

A

A

C

A

P

P

K

R

L

L

K

R

I

I

I

V

A

A

G

N

A

Y

L

A

K
x
V

G

G

Y

Y

D

D

N

N

F

I

D

D

V

I

D

E

A

E

C

A

T

T

R

K

Q

R

G

G

I

I

W

Y

F

V

T

T

I

N

V

T

P

P

S

D

L

V

L
|
L

A

T

V

D

P

A

T
|
T

A

A

E

D

L

L

T

A

I

W

G

A

L

L

I

L

G

A

L

A

A

A

R

R

Q

H

M

V

L

V

L

K

G

G

D

D

R

K

L

F

I

V

R

R

Q

S

G

G

T

E

F

W

A

K

-

R

-

G

-

I

G

A

W

W

R

H

P

P

H

K

L

M

Y

F

-

L

G

G

M

Y

G

D

L

V

A

Y

N

G

R

K

T

T

L

I

G

G

I

I

V

V

G
|
G

M
x
F

G
|
G

S
x
R

L
x
I

G

G

Q

Q

A

A

L

I

A

A

Q

K

R

R

L

A

S

K

S

G

F

F

E

G

M

M

N

R

L

I

I

L

Y

Y

T

T

D
x
A

A
x
R

I
x
S

P

R

L
x
K

P

P

-

E

-

A

-

E

K

K

E

E

K

L

A

G

A

A

A

E

W

F

C

K

L

-

S

-

Q

-

V

-

S

P

L

L

D

E

T

E

L

L

A

R

T

E

S

S

D

D

F

F

V

V

L

L

M

A

V
|
V

P
|
P

L

L

Q

T

P

K

E
|
E

T
|
T

F

Y

H

H

L

M

I

I

N

N

E

E

K

E

S

R

L

L

A

R

R

L

M

M

K

K

P

P

G

T

S

A

F

V

L

L

I

V

N

N

P
x
V

C
x
A

R
|
R

G

G

S

K

V

V

D

D

E

T

Q

K

A

A

V

L

S

I

D

R

A

A

L

L

A

K

S

E

G

G

H

W

L

I

A

A

G

A

Y

A

A

G

A

L

D
|
D

V

V

F

F

E

E

L

E

E
|
E

D

P

W

Y

A

Y

R

D

S

E

D

E

R

-

P

-

S

-

K

-

I

-

P

-

S

-

L

-

L

L

E

F

K

A

Q

L

D

D

Q

N

T

V

F

V

F

L

T

T

P

P

H
|
H

L

I

G
|
G

S

S

A

A

V

T

D

F

D

G

L

A

R

R

Y

E

D

G

I

M

A

A

I

E

E

L

A

V

S

A

Q

K

N

N

I

L

L

I

Q

A

V

F

L

K

Q

N

G

G

H

E

S

V

P

P

Q

P

G

T

A

L

I

V

N

N

active site: L99 (= L100), R240 (= R237), D264 (= D261), E269 (= E266), H287 (= H293)
binding nadp nicotinamide-adenine-dinucleotide phosphate: V75 (≠ K76), T103 (= T104), G156 (= G152), F157 (≠ M153), G158 (= G154), R159 (≠ S155), I160 (≠ L156), A179 (≠ D175), R180 (≠ A176), S181 (≠ I177), K183 (≠ L179), V211 (= V208), P212 (= P209), E216 (= E213), T217 (= T214), V238 (≠ P235), A239 (≠ C236), R240 (= R237), D264 (= D261), H287 (= H293), G289 (= G295)

O58320 Glyoxylate reductase; EC 1.1.1.26 from Pyrococcus horikoshii (strain ATCC 700860 / DSM 12428 / JCM 9974 / NBRC 100139 / OT-3)
37% identity, 99% coverage: 1:327/330 of query aligns to 1:322/334 of O58320

query
sites
O58320

M

M

K

K

P

P

K

K

V

V

V

F

I

I

T

T

H

R

W

E

V

I

H

-

P

P

E

E

I

V

-

G

I

I

T

K

N

M

L

L

S

E

E

D

Y

E

C

F

E

E

V

V

V

E

A

V

N

W

P

G

T

D

R

E

E

K

T

E

L

I

P

P

R

R

E

E

E

I

I

L

L

L

K

K

L

K

A

V

Q

K

D

E

A

V

E

D

A

A

L

L

M

V

V

T

F

M

M

L

P

S

D

E

R

R

I

I

D

D

E

K

A

E

F

V

L

F

K

E

A

N

C

A

P

P

K

K

L

L

K

R

I

I

I

V

A

A

G

N

A

Y

L

A

K

V

G

G

Y

Y

D

D

N

N

F

I

D

D

V

I

D

E

A

E

C

A

T

T

R

K

Q

R

G

G

I

I

W

Y

F

V

T

T

I

N

V

T

P

P

S

D

L

V

L

L

A

T

V

D

P

A

T

T

A

A

E

D

L

L

T

A

I

F

G

A

L

L

I

L

G

A

L

T

A

A

R

R

Q

H

M

V

L

V

L

K

G

G

D

D

R

R

L

F

I

V

R

R

Q

S

G

G

T

E

F

W

-

K

-

R

-

G

A

V

G

A

W

W

R

H

P

P

H

K

L

W

Y

F

-

L

G

G

M

Y

G

D

L

V

A

Y

N

G

R

K

T

T

L

I

G

G

I

I

V

I

G

G

M
x
L

G
|
G

S
x
R

L
x
I

G

G

Q

Q

A

A

L

I

A

A

Q

K

R

R

L

A

S

K

S

G

F

F

E

N

M

M

N

R

L

I

I

L

Y

Y

T

Y

D
x
S

A
x
R

I
x
T

P

-

L

-

P

R

K

K

E

E

K

E

A

V

A

E

A

R

W

E

C

L

L

N

S

A

Q

E

V

F

S

K

-

P

L

L

D

E

T

D

L

L

A

R

T

E

S

S

D

D

F

F

V

V

L

L

M

A

V

V

P

P

L

L

Q

T

P

R

E

E

T

T

F

Y

H

H

L

L

I

I

N

N

E

E

K

E

S

R

L

L

A

K

R

L

M

M

K

K

P

K

G

T

S

A

F

I

L

L

I

I

N

N

P
x
I

C
x
A

R
|
R

G

G

S

K

V

V

D

D

E

T

Q

N

A

A

V

L

S

V

D

K

A

A

L

L

A

K

S

E

G

G

H

W

L

I

A

A

G

G

Y

A

A

G

A

L

D

D

V

V

F

F

E

E

L

E

E

E

D

P

W

Y

A

Y

R

N

S

E

D

E

R

-

P

-

S

-

K

-

I

-

P

-

S

-

L

-

L

L

E

F

K

K

Q

L

D

D

Q

N

T

V

F

V

F

L

T

T

P

P

H
|
H

L
x
I

G
|
G

S

S

A

A

V

S

D

F

D

G

L

A

R

R

Y

E

D

G

I

M

A

A

I

E

E

L

A

V

S

A

Q

K

N

N

I

L

L

I

Q

A

V

F

L

K

Q

R

G

G

H

E

S

I

P

P

Q

P

G

T

A

L

I

V

N

N

LGRI 158:161 (≠ MGSL 153:156) binding NADP(+)
SRT 180:182 (≠ DAI 175:177) binding NADP(+)
IAR 239:241 (≠ PCR 235:237) binding NADP(+)
HIG 288:290 (≠ HLG 293:295) binding NADP(+)

2dbqA Crystal structure of glyoxylate reductase (ph0597) from pyrococcus horikoshii ot3, complexed with NADP (i41) (see paper)
37% identity, 99% coverage: 1:327/330 of query aligns to 1:322/333 of 2dbqA

query
sites
2dbqA

M

M

K

K

P

P

K

K

V

V

V

F

I

I

T

T

H

R

W

E

V

I

H

-

P

P

E

E

I

V

-

G

I

I

T

K

N

M

L

L

S

E

E

D

Y

E

C

F

E

E

V

V

V

E

A

V

N

W

P

G

T

D

R

E

E

K

T

E

L

I

P

P

R

R

E

E

E

I

I

L

L

L

K

K

L

K

A

V

Q

K

D

E

A

V

E

D

A

A

L

L

M

V

V

T

F

M

M

L

P

S

D

E

R

R

I

I

D

D

E

K

A

E

F

V

L

F

K

E

A

N

C

A

P

P

K

K

L

L

K

R

I

I

I

V

A

A

G

N

A

Y

L

A

K
x
V

G

G

Y

Y

D

D

N

N

F

I

D

D

V

I

D

E

A

E

C

A

T

T

R

K

Q

R

G

G

I

I

W

Y

F

V

T

T

I

N

V

T

P

P

S

D

L

V

L
|
L

A

T

V

D

P

A

T
|
T

A

A

E

D

L

L

T

A

I

F

G

A

L

L

I

L

G

A

L

T

A

A

R

R

Q

H

M

V

L

V

L

K

G

G

D

D

R

R

L

F

I

V

R

R

Q

S

G

G

T

E

F

W

-

K

-

R

-

G

A

V

G

A

W

W

R

H

P

P

H

K

L

W

Y

F

-

L

G

G

M

Y

G

D

L

V

A

Y

N

G

R

K

T

T

L

I

G

G

I

I

V

I

G

G

M
x
L

G
|
G

S
x
R

L
x
I

G

G

Q

Q

A

A

L

I

A

A

Q

K

R

R

L

A

S

K

S

G

F

F

E

N

M

M

N

R

L

I

I

L

Y

Y

T

Y

D
x
S

A
x
R

I
x
T

P

-

L

-

P

R

K

K

E

E

K

E

A

V

A

E

A

R

W

E

C

L

L

N

S

A

Q

E

V

F

S

K

-

P

L

L

D

E

T

D

L

L

A

R

T

E

S

S

D

D

F

F

V

V

L

L

M
x
A

V
|
V

P
|
P

L

L

Q

T

P

R

E

E

T
|
T

F

Y

H

H

L

L

I

I

N

N

E

E

K

E

S

R

L

L

A

K

R

L

M

M

K

K

P

K

G

T

S

A

F

I

L

L

I

I

N

N

P
x
I

C
x
A

R
|
R

G

G

S

K

V

V

D

D

E

T

Q

N

A

A

V

L

S

V

D

K

A

A

L

L

A

K

S

E

G

G

H

W

L

I

A

A

G

G

Y

A

A

G

A

L

D
|
D

V

V

F

F

E

E

L

E

E
|
E

D

P

W

Y

A

Y

R

N

S

E

D

E

R

-

P

-

S

-

K

-

I

-

P

-

S

-

L

-

L

L

E

F

K

K

Q

L

D

D

Q

N

T

V

F

V

F

L

T

T

P

P

H
|
H

L

I

G
|
G

S

S

A

A

V

S

D

F

D

G

L

A

R

R

Y

E

D

G

I

M

A

A

I

E

E

L

A

V

S

A

Q

K

N

N

I

L

L

I

Q

A

V

F

L

K

Q

R

G

G

H

E

S

I

P

P

Q

P

G

T

A

L

I

V

N

N

active site: L100 (= L100), R241 (= R237), D265 (= D261), E270 (= E266), H288 (= H293)
binding nadp nicotinamide-adenine-dinucleotide phosphate: V76 (≠ K76), T104 (= T104), L158 (≠ M153), G159 (= G154), R160 (≠ S155), I161 (≠ L156), S180 (≠ D175), R181 (≠ A176), T182 (≠ I177), A211 (≠ M207), V212 (= V208), P213 (= P209), T218 (= T214), I239 (≠ P235), A240 (≠ C236), R241 (= R237), D265 (= D261), H288 (= H293), G290 (= G295)

1wwkA Crystal structure of phosphoglycerate dehydrogenase from pyrococcus horikoshii ot3
36% identity, 87% coverage: 32:319/330 of query aligns to 27:304/304 of 1wwkA

query
sites
1wwkA

E

E

T

E

L

Y

P

P

R

D

E

E

E

D

-

R

I

L

L

V

K

E

L

L

A

V

Q

K

D

D

A

V

E

E

A

A

L

I

M

I

V

V

F

R

M

S

P

K

D

P

R

K

I

V

D

T

E

R

A

R

F

V

L

I

K

E

A

S

C

A

P

P

K

K

L

L

K

K

I

V

I

I

A

A

G

R

A

A

L

G

K

V

G

G

Y

L

D

D

N

N

F

I

D

D

V

V

D

E

A

A

C

A

T

K

R

E

Q

K

G

G

I

I

W

E

F

V

T

V

I

N

V

A

P

P

S

A

L

A

L
x
S

A

S

V

R

P

S

T
x
V

A

A

E

E

L

L

T

A

I

V

G

G

L

L

I

M

I

F

G

S

L

V

A

A

R

R

Q

K

M

I

L

A

L

F

G

A

D

D

R

R

L

K

I

M

R

R

Q

E

G

G

T

V

F

W

A

A

G

-

W

-

R

K

P

K

H

E

L

A

Y

M

G

G

M

I

G

E

L

L

A

E

N

G

R

K

T

T

L

I

G

G

I

I

V

I

G
|
G

M
x
F

G
|
G

S
x
R

L
x
I

G

G

Q

Y

A

Q

L

V

A

A

Q

K

R

I

L

A

S

N

S

A

F

L

E

G

M

M

N

N

L

I

I

L

Y

L

T
x
Y

D
|
D

A

-

I

-

P
|
P

L

Y

P

P

K

N

E

E

K

E

A

R

A

A

A

K

W

E

C

V

L

N

S

G

Q

K

-

F

V

V

S

D

L

L

D

E

T

T

L

L

A

K

T

E

S

S

D

D

F

V

V

V

V

T

L

I

M

H

V
|
V

P
|
P

L

L

Q

V

P

E

E

S

T
|
T

F

Y

H

H

L

L

I

I

N

N

E

E

K

E

S

R

L

L

A

K

R

L

M

M

K

K

P

K

G

T

S

A

F

I

L

L

I

I

N

N

P
x
T

C
x
S

R
|
R

G

G

S

P

V

V

D

D

E

T

Q

N

A

A

V

L

S

V

D

K

A

A

L

L

A

K

S

E

G

G

H

W

L

I

A

A

G

G

Y

A

A

G

A

L

D
|
D

V

V

F

F

E

E

L

E

E
|
E

D

P

W

L

A

P

R

K

S

-

D

D

R

H

P

P

S

-

K

-

I

-

P

-

S

-

L

-

L

L

E

T

K

K

Q

F

D

D

Q

N

T

V

F

V

F

L

T

T

P

P

H
|
H

L

I

G
|
G

S

A

A

S

V

T

D

V

D

E

L

A

R

Q

Y

E

D

R

I

A

A

G

I

V

E

E

A

V

S

A

Q

E

N

K

I

V

L

V

Q

K

V

I

L

L

Q

K

G

G

active site: S96 (≠ L100), R230 (= R237), D254 (= D261), E259 (= E266), H278 (= H293)
binding nicotinamide-adenine-dinucleotide: V100 (≠ T104), G146 (= G152), F147 (≠ M153), G148 (= G154), R149 (≠ S155), I150 (≠ L156), Y168 (≠ T174), D169 (= D175), P170 (= P178), V201 (= V208), P202 (= P209), T207 (= T214), T228 (≠ P235), S229 (≠ C236), D254 (= D261), H278 (= H293), G280 (= G295)

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)
32% identity, 90% coverage: 31:327/330 of query aligns to 33:317/533 of O43175

query
sites
O43175

R

K

E

Q

T

N

L

L

P

S

R

K

E

E

I

L

L

I

K

A

L

E

A

L

Q

Q

D

D

A

C

E

E

A

G

L

L

M

I

V

V

F

R

M

S

P

A

D

T

R

K

I

V

D

T

E

A

A

D

F

V

L

I

K

N

A

A

C

A

P

E

K

K

L

L

K

Q

I

V

A

G

G

R

A

A

L

G

K
x
T

G

G

Y

V

D

D

N

N

F

V

D

D

V

L

D

E

A

A

C

A

T

T

R

R

Q

K

G

G

I

I

W

L

F

V

T

M

I

N

V

T

P

P

S

N

L

G

L

N

A

S

V

L

P

S

T

A

A

A

E

E

L

L

T

T

I

C

G

G

L

M

I

I

I

M

G

C

L

L

A

A

R

R

Q

Q

M

I

L

P

L

Q

G

A

D

T

R

A

L

S

I

M

R

K

Q

D

G

G

T

K

F

W

A

E

G

-

W

-

R
|
R

P

K

H

K

L

F

Y

M

G

G

M

T

G

E

L

L

A

N

N

G

R

K

T

T

L

L

G

G

I

I

V

L

G

G

M

L

G

G

S
x
R

L
x
I

G

G

Q

R

A

E

L

V

A

A

Q

T

R

R

L

M

S

Q

S

S

F

F

E

G

M

M

N

K

L

T

I

I

Y

G

T

Y

D
|
D

A

P

I

I

P

I

L

S

P

P

K

-

E

E

K

V

A

S

A

A

A

S

W

F

C

G

L

V

S

Q

Q

Q

V

L

S

P

L

L

D

E

T

E

L

I

L

W

A

P

T

L

S

C

D

D

F

F

V

I

V

T

L

V

M

H

V
x
T

P

P

L

L

Q

L

P

P

E

S

T

T

F

T

H

G

L

L

I

L

N

N

E

D

K

N

S

T

L

F

A

A

R

Q

M

C

K

K

P

K

G

G

S

V

F

R

L

V

I

V

N

N

P
x
C

C
x
A

R
|
R

G

G

S

G

V

I

V

V

D

D

E

E

Q

G

A

A

V

L

S

L

D

R

A

A

L

L

A

Q

S

S

G

G

H

Q

L

C

A

A

G

G

Y

A

A

A

A

L

D
|
D

V
|
V

F

F

E

T

L

E

E

E

D

-

W

-

A

-

R

-

S

-

D

-

R

-

P

-

S

-

K

-

I

-

P

P

-

R

-

D

S

R

L

A

L

L

E

V

K

D

Q

H

D

E

Q

N

T

V

F

I

F

S

T

C

P

P

H
|
H

L
|
L

G
|
G

S
x
A

A

S

V

T

D

K

D

E

L

A

R

Q

Y

S

D

R

I

C

A

G

I

E

E

E

A

I

S

A

Q

V

N

Q

I

F

L

V

Q

D

V

M

L

V

Q

K

G

G

H

K

S

S

P

L

Q

T

G

G

A

V

I

V

N

N

T78 (≠ K76) binding NAD(+)
R135 (= R135) 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 (≠ SL 155:156) binding NAD(+)
D175 (= D175) binding NAD(+)
T207 (≠ V208) binding NAD(+)
CAR 234:236 (≠ PCR 235:237) binding NAD(+)
D260 (= D261) binding NAD(+)
V261 (= V262) 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 (≠ HLGS 293:296) 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

3dc2A Crystal structure of serine bound d-3-phosphoglycerate dehydrogenase from mycobacterium tuberculosis (see paper)
33% identity, 99% coverage: 3:328/330 of query aligns to 2:312/526 of 3dc2A

query
sites
3dc2A

P

P

K

V

V

V

V

L

I

I

T

A

H

D

W

K

V

L

H

A

P

P

E

S

I

T

I

V

T

A

N

A

L

L

S

G

E

D

Y

Q

C

V

E

E

V

V

-

R

-

W

V

V

A

D

N

G

P

P

T

D

R

R

E

D

T

K

L

L

P

-

R

-

E

-

I

-

L

L

K

A

L

A

A

V

Q

P

D

E

A

A

E

D

A

A

L

L

M

L

V

V

F

R

M

S

P

A

D

T

R

T

I

V

D

D

E

A

A

E

F

V

L

L

K

A

A

A

C

A

P

P

K

K

L

L

K

K

I

I

I

V

A

A

G

R

A

A

L

G

K

V

G

G

Y

L

D

D

N

N

F

V

D

D

V

V

D

D

A

A

C

A

T

T

R

A

Q

R

G

G

I

V

W

L

F

V

T

V

I

N

V

A

P

P

S

T

L

S

L
x
N

A

I

V

H

P

S

T

A

A

A

E

E

L

H

T

A

I

L

G

A

L

L

I

L

G

A

L

A

A

S

R

R

Q

Q

M

I

L

P

L

A

G

A

D

D

R

A

L

S

I

L

R

R

Q

E

G

H

T

T

F

W

A

K

G

-

W

-

R

R

P

S

H

S

L

F

Y

S

G

G

M

T

G

E

L

I

A

F

N

G

R

K

T

T

L

V

G

G

I

V

V

V

G

G

M

L

G

G

S

R

L

I

G

G

Q

Q

A

L

L

V

A

A

Q

Q

R

R

L

I

S

A

F

F

E

G

M

A

N

Y

L

V

I

V

Y

A

T

Y

D

D

A

P

I

Y

P

V

L

S

P

P

K

A

E

-

K

R

A

A

A

Q

W

L

C

G

L

I

S

E

Q

L

V

L

S

S

L

L

D

D

T

D

L

L

A

A

T

R

S

A

D

D

F

F

V

I

V

S

L

V

M

H

V

L

P

P

L

K

Q

T

P

P

E

E

T

T

F

A

H

G

L

L

I

I

N

D

E

K

K

E

S

A

L

L

A

A

R

K

M

T

K

K

P

P

G

G

S

V

F

I

L

I

I

V

N

N

P

A

C

A

R
|
R

G

G

S

G

V

L

V

V

D

D

E

E

Q

A

A

A

V

L

S

A

D

D

A

A

L

I

A

T

S

G

G

G

H

H

L

V

A

R

G

A

Y

A

A

G

A

L

D
|
D

V

V

F

F

E

A

L

T

E
|
E

D

P

W

C

A

-

R

-

S

T

D

D

R

S

P

P

S

-

K

-

I

-

P

-

S

-

L

-

L

L

E

F

K

E

Q

L

D

A

Q

Q

T

V

F

V

T

T

P

P

H
|
H

L

L

G

G

S

A

A

S

V

T

D

A

D

E

L

A

R

Q

Y

D

D

R

I

A

A

G

I

T

E

D

A

V

S

A

Q

E

N

S

I

V

L

R

Q

L

V

A

L

L

Q

A

G

G

H

E

S

F

P

V

Q

P

G

D

A

A

I

V

N

N

C

V

active site: N96 (≠ L100), R230 (= R237), D254 (= D261), E259 (= E266), H277 (= H293)

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)
33% identity, 99% coverage: 3:328/330 of query aligns to 3:313/525 of 3ddnB

query
sites
3ddnB

P

P

K

V

V

V

V

L

I

I

T

A

H

D

W

K

V

L

H

A

P

P

E

S

I

T

I

V

T

A

N

A

L

L

S

G

E

D

Y

Q

C

V

E

E

V

V

-

R

-

W

V

V

A

D

N

G

P

P

T

D

R

R

E

D

T

K

L

L

P

-

R

-

E

-

I

-

L

L

K

A

L

A

A

V

Q

P

D

E

A

A

E

D

A

A

L

L

M

L

V

V

F

R

M

S

P

A

D

T

R

T

I

V

D

D

E

A

A

E

F

V

L

L

K

A

A

A

C

A

P

P

K

K

L

L

K

K

I

I

I

V

A

A

G
x
R

A

A

L

G

K
x
V

G

G

Y

L

D

D

N

N

F

V

D

D

V

V

D

D

A

A

C

A

T

T

R

A

Q

R

G

G

I

V

W

L

F

V

T

V

I

N

V

A

P

P

S

T

L

S

L
x
N

A

I

V

H

P

S

T

A

A

A

E

E

L

H

T

A

I

L

G

A

L

L

I

L

G

A

L

A

A

S

R

R

Q

Q

M

I

L

P

L

A

G

A

D

D

R

A

L

S

I

L

R

R

Q

E

G

H

T

T

F

W

A

K

G

-

W

-

R

R

P

S

H

S

L

F

Y

S

G

G

M

T

G

E

L

I

A

F

N

G

R

K

T

T

L

V

G

G

I

V

V

V

G

G

M

L

G

G

S

R

L

I

G

G

Q

Q

A

L

L

V

A

A

Q

Q

R

R

L

I

S

A

F

F

E

G

M

A

N

Y

L

V

I

V

Y

A

T

Y

D

D

A

P

I

Y

P

V

L

S

P

P

K

A

E

-

K

R

A

A

A

Q

W

L

C

G

L

I

S

E

Q

L

V

L

S

S

L

L

D

D

T

D

L

L

A

A

T

R

S

A

D

D

F

F

V

I

V

S

L

V

M

H

V

L

P

P

L

K

Q

T

P

P

E

E

T

T

F

A

H

G

L

L

I

I

N

D

E

K

K

E

S

A

L

L

A

A

R

K

M

T

K

K

P

P

G

G

S

V

F

I

L

I

I

V

N

N

P

A

C

A

R
|
R

G

G

S

G

V

L

V

V

D

D

E

E

Q

A

A

A

V

L

S

A

D

D

A

A

L

I

A

T

S

G

G

G

H

H

L

V

A

R

G

A

Y

A

A

G

A

L

D
|
D

V

V

F

F

E

A

L

T

E
|
E

D

P

W

C

A

-

R

-

S

T

D

D

R

S

P

P

S

-

K

-

I

-

P

-

S

-

L

-

L

L

E

F

K

E

Q

L

D

A

Q

Q

T

V

F

V

T

T

P

P

H
|
H

L

L

G

G

S
x
A

A

S

V

T

D

A

D

E

L

A

R
x
Q

Y

D

D

R

I

A

A

G

I

T

E

D

A

V

S

A

Q

E

N

S

I

V

L

R

Q

L

V

A

L

L

Q

A

G

G

H

E

S

F

P

V

Q

P

G

D

A

A

I

V

N

N

C

V

active site: N97 (≠ L100), R231 (= R237), D255 (= D261), E260 (= E266), H278 (= H293)
binding 2-oxo-3-(phosphonooxy)propanoic acid: R70 (≠ G73), V73 (≠ K76), N97 (≠ L100), A281 (≠ S296), Q287 (≠ R302)

6plfA Crystal structure of human phgdh complexed with compound 1 (see paper)
32% identity, 88% coverage: 31:319/330 of query aligns to 29:305/305 of 6plfA

query
sites
6plfA

R

K

E

Q

T

N

L

L

P

S

R

K

E

E

I

L

L

I

K

A

L

E

A

L

Q

Q

D

D

A

C

E

E

A

G

L

L

M

I

V

V

F

R

M

S

P

A

D

T

R

K

I

V

D

T

E

A

A

D

F

V

L

I

K

N

A

A

C

A

P

E

K

K

L

L

K

Q

I

V

A

G

G

R

A

A

L

G

K

T

G

G

Y

V

D

D

N

N

F

V

D

D

V

L

D

E

A

A

C

A

T

T

R

R

Q

K

G

G

I

I

W

L

F

V

T

M

I

N

V

T

P

P

S

N

L

G

L

N

A

S

V

L

P

S

T

A

A

A

E

E

L

L

T

T

I

C

G

G

L

M

I

I

I

M

G

C

L

L

A

A

R

R

Q

Q

M

I

L

P

L

Q

G

A

D

T

R

A

L

S

I

M

R

K

Q

D

G

G

T

K

F

W

A

E

G

-

W

-

R

R

P

K

H

K

L

F

Y

M

G

G

M

T

G

E

L

L

A

N

N

G

R

K

T

T

L

L

G

G

I

I

V

L

G

G

M

L

G

G

S

R

L

I

G

G

Q

R

A

E

L

V

A

A

Q

T

R

R

L

M

S

Q

S

S

F

F

E

G

M

M

N

K

L

T

I

I

Y

G

T
x
Y

D
|
D

A
x
P

I

I

P

I

L

S

P

P

K

-

E

E

K

V

A

S

A

A

A

S

W

F

C

G

L

V

S

Q

Q

Q

V

L

S

P

L
|
L

D

E

T

E

L

I

L

W

A

P

T

L

S

C

D

D

F

F

V

I

V

T

L

V

M
x
H

V
x
T

P
|
P

L

L

Q

L

P

P

E

S

T

T

F

T

H

G

L
|
L

I

L

N

N

E

D

K

N

S

T

L

F

A

A

R

Q

M

C

K

K

P

K

G

G

S

V

F

R

L

V

I

V

N

N

P

C

C

A

R

R

G

G

S

G

V

I

V

V

D

D

E

E

Q

G

A

A

V

L

S

L

D

R

A

A

L

L

A

Q

S

S

G

G

H

Q

L

C

A

A

G

G

Y

A

A

A

A

L

D

D

V

V

F

F

E

T

L

E

E

E

D

-

W

-

A

-

R

-

S

-

D

-

R

-

P

-

S

-

K

-

I

-

P

P

-

R

-

D

S

R

L

A

L

L

E

V

K

D

Q

H

D

E

Q

N

T

V

F

I

F

S

T

C

P

P

H

H

L

L

G

G

S

A

A

S

V

T

D

K

D

E

L

A

R

Q

Y

S

D

R

I

C

A

G

I

E

E

E

A

I

S

A

Q

V

N

Q

I

F

L

V

Q

D

V

M

L

V

Q

K

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 (≠ T174), D171 (= D175), P172 (≠ A176), L189 (= L194), H202 (≠ M207), T203 (≠ V208), P204 (= P209), L212 (= L217)

7dkmA Phgdh covalently linked to oridonin (see paper)
34% identity, 82% coverage: 31:300/330 of query aligns to 29:286/306 of 7dkmA

query
sites
7dkmA

R

K

E

Q

T

N

L

L

P

S

R

K

E

E

I

L

L

I

K

A

L

E

A

L

Q

Q

D

D

A

C

E

E

A

G

L

L

M

I

V

V

F

R

M

S

P

A

D

T

R

K

I

V

D

T

E

A

A

D

F

V

L

I

K

N

A

A

C

A

P

E

K

K

L

L

K

Q

I

V

A

G

G

R

A

A

L

G

K
x
T

G

G

Y

V

D

D

N

N

F

V

D

D

V

L

D

E

A

A

C

A

T

T

R

R

Q

K

G

G

I

I

W

L

F

V

T

M

I

N

V

T

P

P

S

N

L

G

L

N

A

S

V

L

P

S

T
x
A

A

A

E

E

L

L

T

T

I

C

G

G

L

M

I

I

I

M

G

C

L

L

A

A

R

R

Q

Q

M

I

L

P

L

Q

G

A

D

T

R

A

L

S

I

M

R

K

Q

D

G

G

T

K

F

W

A

E

G

-

W

-

R

R

P

K

H

K

L

F

Y

M

G

G

M

T

G

E

L

L

A

N

N

G

R

K

T

T

L

L

G

G

I

I

V

L

G
|
G

M

L

G

G

S
x
R

L
x
I

G

G

Q

R

A

E

L

V

A

A

Q

T

R

R

L

M

S

Q

S

S

F

F

E

G

M

M

N

K

L

T

I

I

Y

G

T
x
Y

D
|
D

A
x
P

I
|
I

P

I

L

S

P

P

K

-

E

E

K

V

A

S

A

A

A

S

W

F

C

G

L

V

S

Q

Q

Q

V

L

S

P

L

L

D

E

T

E

L

I

L

W

A

P

T

L

S

C

D

D

F

F

V

I

V

T

L

V

M
x
H

V
x
T

P
|
P

L

L

Q

L

P

P

E

S

T
|
T

F

T

H

G

L

L

I

L

N

N

E

D

K

N

S

T

L

F

A

A

R

Q

M

C

K

K

P

K

G

G

S

V

F

R

L

V

I

V

N

N

P
x
C

C
x
A

R
|
R

G

G

S

G

V

I

V

V

D

D

E

E

Q

G

A

A

V

L

S

L

D

R

A

A

L

L

A

Q

S

S

G

G

H

Q

L

C

A

A

G

G

Y

A

A

A

A

L

D

D

V

V

F

F

E

T

L

E

E

E

D

-

W

-

A

-

R

-

S

-

D

-

R

-

P

-

S

-

K

-

I

-

P

P

-

R

-

D

S

R

L

A

L

L

E

V

K

D

Q

H

D

E

Q

N

T

V

F

I

F

S

T

C

P

P

H
|
H

L

L

G
|
G

S

A

A

S

V

T

D

K

D

E

binding nicotinamide-adenine-dinucleotide: T74 (≠ K76), A102 (≠ T104), G148 (= G152), R151 (≠ S155), I152 (≠ L156), Y170 (≠ T174), D171 (= D175), P172 (≠ A176), I173 (= I177), H202 (≠ M207), T203 (≠ V208), P204 (= P209), T209 (= T214), C230 (≠ P235), A231 (≠ C236), R232 (= R237), H279 (= H293), G281 (= G295)

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

7ewhA Crystal structure of human phgdh in complex with homoharringtonine (see paper)
34% identity, 82% coverage: 31:300/330 of query aligns to 28:285/302 of 7ewhA

query
sites
7ewhA

R

K

E

Q

T

N

L

L

P

S

R

K

E

E

I

L

L

I

K

A

L

E

A

L

Q

Q

D

D

A

C

E

E

A

G

L

L

M

I

V

V

F

R

M

S

P

A

D

T

R

K

I

V

D

T

E

A

A

D

F

V

L

I

K

N

A

A

C

A

P

E

K

K

L

L

K

Q

I

V

A

G

G

R

A

A

L

G

K

T

G

G

Y

V

D

D

N

N

F

V

D

D

V

L

D

E

A

A

C

A

T

T

R

R

Q

K

G

G

I

I

W

L

F

V

T

M

I

N

V

T

P

P

S

N

L

G

L

N

A

S

V

L

P

S

T

A

A

A

E

E

L

L

T

T

I

C

G

G

L

M

I

I

I

M

G

C

L

L

A

A

R

R

Q

Q

M

I

L

P

L

Q

G

A

D

T

R

A

L

S

I

M

R

K

Q

D

G

G

T

K

F

W

A

E

G

-

W

-

R

R

P

K

H

K

L

F

Y

M

G

G

M

T

G

E

L

L

A

N

N

G

R

K

T

T

L

L

G

G

I

I

V
x
L

G
|
G

M
x
L

G
|
G

S
x
R

L
x
I

G
|
G

Q

R

A

E

L

V

A

A

Q

T

R

R

L

M

S

Q

S

S

F

F

E

G

M

M

N

K

L

T

I

I

Y

G

T

Y

D
|
D

A

P

I

I

P

I

L

S

P

P

K

-

E

E

K

V

A

S

A

A

A

S

W

F

C

G

L

V

S

Q

Q

Q

V

L

S

P

L

L

D

E

T

E

L

I

L

W

A

P

T

L

S

C

D

D

F

F

V

I

V

T

L

V

M
x
H

V
x
T

P
|
P

L

L

Q

L

P

P

E

S

T

T

F

T

H

G

L

L

I

L

N

N

E

D

K

N

S

T

L

F

A

A

R

Q

M

C

K

K

P

K

G

G

S

V

F

R

L

V

I

V

N

N

P

C

C

A

R

R

G

G

S

G

V

I

V

V

D

D

E

E

Q

G

A

A

V

L

S

L

D

R

A

A

L

L

A

Q

S

S

G

G

H

Q

L

C

A

A

G

G

Y

A

A

A

A

L

D

D

V

V

F

F

E

T

L

E

E

E

D

-

W

-

A

-

R

-

S

-

D

-

R

-

P

-

S

-

K

-

I

-

P

P

-

R

-

D

S

R

L

A

L

L

E

V

K

D

Q

H

D

E

Q

N

T

V

F

I

F

S

T

C

P

P

H

H

L

L

G

G

S

A

A

S

V

T

D

K

D

E

binding (3beta)-O~3~-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine: L146 (≠ V151), G147 (= G152), L148 (≠ M153), G149 (= G154), R150 (≠ S155), I151 (≠ L156), G152 (= G157), D170 (= D175), H201 (≠ M207), T202 (≠ V208), P203 (= P209)

6rihA Crystal structure of phgdh in complex with compound 9 (see paper)
34% identity, 82% coverage: 31:300/330 of query aligns to 28:285/302 of 6rihA

query
sites
6rihA

R

K

E

Q

T

N

L

L

P

S

R

K

E

E

I

L

L

I

K

A

L

E

A

L

Q

Q

D

D

A

C

E

E

A

G

L

L

M

I

V

V

F

R

M

S

P

A

D

T

R

K

I

V

D

T

E

A

A

D

F

V

L

I

K

N

A

A

C

A

P

E

K

K

L

L

K

Q

I

V

A

G

G

R

A

A

L

G

K

T

G

G

Y

V

D

D

N

N

F

V

D

D

V

L

D

E

A

A

C

A

T

T

R

R

Q

K

G

G

I

I

W

L

F

V

T

M

I

N

V

T

P

P

S

N

L

G

L

N

A

S

V

L

P

S

T

A

A

A

E

E

L

L

T

T

I

C

G

G

L

M

I

I

I

M

G

C

L

L

A

A

R

R

Q

Q

M

I

L

P

L

Q

G

A

D

T

R

A

L

S

I

M

R

K

Q

D

G

G

T

K

F

W

A

E

G

-

W

-

R

R

P

K

H

K

L

F

Y

M

G

G

M

T

G

E

L

L

A

N

N

G

R

K

T

T

L

L

G

G

I

I

V

L

G

G

M

L

G
|
G

S

R

L

I

G

G

Q

R

A

E

L

V

A

A

Q

T

R

R

L

M

S

Q

S

S

F

F

E

G

M

M

N

K

L

T

I

I

Y

G

T
x
Y

D
|
D

A
x
P

I
|
I

P
x
I

L

S

P

P

K

-

E

E

K

V

A

S

A

A

A

S

W

F

C

G

L

V

S

Q

Q

Q

V

L

S

P

L

L

D

E

T

E

L

I

L

W

A

P

T

L

S

C

D

D

F

F

V

I

V

T

L

V

M

H

V
x
T

P
|
P

L

L

Q

L

P

P

E

S

T

T

F

T

H

G

L
|
L

I

L

N

N

E

D

K

N

S

T

L

F

A

A

R

Q

M

C

K

K

P

K

G

G

S

V

F

R

L

V

I

V

N

N

P

C

C

A

R

R

G

G

S

G

V

I

V

V

D

D

E

E

Q

G

A

A

V

L

S

L

D

R

A

A

L

L

A

Q

S

S

G

G

H

Q

L

C

A

A

G

G

Y

A

A

A

A

L

D

D

V

V

F

F

E

T

L

E

E

E

D

-

W

-

A

-

R

-

S

-

D

-

R

-

P

-

S

-

K

-

I

-

P

P

-

R

-

D

S

R

L

A

L

L

E

V

K

D

Q

H

D

E

Q

N

T

V

F

I

F

S

T

C

P

P

H

H

L

L

G

G

S

A

A

S

V

T

D

K

D

E

binding ~{N}-cyclopropyl-2-methyl-5-phenyl-pyrazole-3-carboxamide: G149 (= G154), Y169 (≠ T174), D170 (= D175), P171 (≠ A176), I172 (= I177), I173 (≠ P178), T202 (≠ V208), P203 (= P209), L211 (= L217)

6plgA Crystal structure of human phgdh complexed with compound 15 (see paper)
34% identity, 82% coverage: 31:300/330 of query aligns to 28:285/303 of 6plgA

query
sites
6plgA

R

K

E

Q

T

N

L

L

P

S

R

K

E

E

I

L

L

I

K

A

L

E

A

L

Q

Q

D

D

A

C

E

E

A

G

L

L

M

I

V

V

F

R

M

S

P

A

D

T

R

K

I

V

D

T

E

A

A

D

F

V

L

I

K

N

A

A

C

A

P

E

K

K

L

L

K

Q

I

V

A

G

G

R

A

A

L

G

K

T

G

G

Y

V

D

D

N

N

F

V

D

D

V

L

D

E

A

A

C

A

T

T

R

R

Q

K

G

G

I

I

W

L

F

V

T

M

I

N

V

T

P

P

S

N

L

G

L

N

A

S

V

L

P

S

T

A

A

A

E

E

L

L

T

T

I

C

G

G

L

M

I

I

I

M

G

C

L

L

A

A

R

R

Q

Q

M

I

L

P

L

Q

G

A

D

T

R

A

L

S

I

M

R

K

Q

D

G

G

T

K

F

W

A

E

G

-

W

-

R

R

P

K

H

K

L

F

Y

M

G

G

M

T

G

E

L

L

A

N

N

G

R

K

T

T

L

L

G

G

I

I

V

L

G

G

M

L

G
|
G

S
x
R

L

I

G

G

Q

R

A

E

L

V

A

A

Q

T

R

R

L

M

S

Q

S

S

F

F

E

G

M

M

N

K

L

T

I

I

Y

G

T

Y

D
|
D

A
x
P

I
|
I

P
x
I

L

S

P

P

K

-

E

E

K

V

A

S

A

A

A

S

W

F

C

G

L

V

S

Q

Q

Q

V

L

S

P

L

L

D

E

T

E

L

I

L

W

A

P

T

L

S

C

D

D

F

F

V

I

V

T

L

V

M
x
H

V
x
T

P

P

L

L

Q
x
L

P

P

E

S

T

T

F

T

H

G

L

L

I

L

N

N

E

D

K

N

S

T

L

F

A

A

R

Q

M

C

K

K

P

K

G

G

S

V

F

R

L

V

I

V

N

N

P

C

C

A

R

R

G

G

S

G

V

I

V

V

D

D

E

E

Q

G

A

A

V

L

S

L

D

R

A

A

L

L

A

Q

S

S

G

G

H

Q

L

C

A

A

G

G

Y

A

A

A

A

L

D

D

V

V

F

F

E

T

L

E

E

E

D

-

W

-

A

-

R

-

S

-

D

-

R

-

P

-

S

-

K

-

I

-

P

P

-

R

-

D

S

R

L

A

L

L

E

V

K

D

Q

H

D

E

Q

N

T

V

F

I

F

S

T

C

P

P

H

H

L

L

G

G

S

A

A

S

V

T

D

K

D

E

binding (2S)-(4-{3-[(4,5-dichloro-1-methyl-1H-indole-2-carbonyl)amino]oxetan-3-yl}phenyl)(pyridin-3-yl)acetic acid: G149 (= G154), R150 (≠ S155), D170 (= D175), P171 (≠ A176), I172 (= I177), I173 (≠ P178), H201 (≠ M207), T202 (≠ V208), L205 (≠ Q211)

6rj5A Crystal structure of phgdh in complex with compound 39 (see paper)
34% identity, 82% coverage: 31:300/330 of query aligns to 28:285/301 of 6rj5A

query
sites
6rj5A

R

K

E

Q

T

N

L

L

P

S

R

K

E

E

I

L

L

I

K

A

L

E

A

L

Q

Q

D

D

A

C

E

E

A

G

L

L

M

I

V

V

F

R

M

S

P

A

D

T

R

K

I

V

D

T

E

A

A

D

F

V

L

I

K

N

A

A

C

A

P

E

K

K

L

L

K

Q

I

V

A

G

G

R

A

A

L

G

K

T

G

G

Y

V

D

D

N

N

F

V

D

D

V

L

D

E

A

A

C

A

T

T

R

R

Q

K

G

G

I

I

W

L

F

V

T

M

I

N

V

T

P

P

S

N

L

G

L

N

A

S

V

L

P

S

T

A

A

A

E

E

L

L

T

T

I

C

G

G

L

M

I

I

I

M

G

C

L

L

A

A

R

R

Q

Q

M

I

L

P

L

Q

G

A

D

T

R

A

L

S

I

M

R

K

Q

D

G

G

T

K

F

W

A

E

G

-

W

-

R

R

P

K

H

K

L

F

Y

M

G

G

M

T

G

E

L

L

A

N

N

G

R

K

T

T

L

L

G

G

I

I

V
x
L

G

G

M

L

G

G

S

R

L

I

G

G

Q

R

A

E

L

V

A

A

Q

T

R

R

L

M

S

Q

S

S

F

F

E

G

M

M

N

K

L

T

I

I

Y

G

T
x
Y

D
|
D

A
x
P

I

I

P
x
I

L

S

P

P

K

-

E

E

K

V

A

S

A

A

A

S

W

F

C

G

L

V

S

Q

Q

Q

V

L

S

P

L

L

D

E

T

E

L

I

L

W

A

P

T

L

S

C

D

D

F

F

V

I

V

T

L

V

M
x
H

V
x
T

P
|
P

L

L

Q

L

P

P

E

S

T

T

F

T

H

G

L
|
L

I

L

N

N

E

D

K

N

S

T

L

F

A

A

R

Q

M

C

K

K

P

K

G

G

S

V

F

R

L

V

I

V

N

N

P

C

C

A

R

R

G

G

S

G

V

I

V

V

D

D

E

E

Q

G

A

A

V

L

S

L

D

R

A

A

L

L

A

Q

S

S

G

G

H

Q

L

C

A

A

G

G

Y

A

A

A

A

L

D

D

V

V

F

F

E

T

L

E

E

E

D

-

W

-

A

-

R

-

S

-

D

-

R

-

P

-

S

-

K

-

I

-

P

P

-

R

-

D

S

R

L

A

L

L

E

V

K

D

Q

H

D

E

Q

N

T

V

F

I

F

S

T

C

P

P

H

H

L

L

G

G

S

A

A

S

V

T

D

K

D

E

binding 2-methyl-~{N}-[(1~{R})-1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-5-phenyl-pyrazole-3-carboxamide: L146 (≠ V151), Y169 (≠ T174), D170 (= D175), P171 (≠ A176), I173 (≠ P178), H201 (≠ M207), T202 (≠ V208), P203 (= P209), L211 (= L217)

6cwaA Crystal structure phgdh in complex with nadh and 3-phosphoglycerate at 1.77 a resolution (see paper)
34% identity, 82% coverage: 31:300/330 of query aligns to 27:284/299 of 6cwaA

query
sites
6cwaA

R

K

E

Q

T

N

L

L

P

S

R

K

E

E

I

L

L

I

K

A

L

E

A

L

Q

Q

D

D

A

C

E

E

A

G

L

L

M

I

V

V

F

R

M

S

P

A

D

T

R

K

I

V

D

T

E

A

A

D

F

V

L

I

K

N

A

A

C

A

P

E

K

K

L

L

K

Q

I

V

A

G

G

R

A

A

L

G

K

T

G

G

Y

V

D

D

N

N

F

V

D

D

V

L

D

E

A

A

C

A

T

T

R

R

Q

K

G

G

I

I

W

L

F

V

T

M

I

N

V

T

P

P

S

N

L

G

L
x
N

A

S

V

L

P

S

T
x
A

A

A

E

E

L

L

T

T

I

C

G

G

L

M

I

I

I

M

G

C

L

L

A

A

R

R

Q

Q

M

I

L

P

L

Q

G

A

D

T

R

A

L

S

I

M

R

K

Q

D

G

G

T

K

F

W

A

E

G

-

W

-

R

R

P

K

H

K

L

F

Y

M

G

G

M

T

G

E

L

L

A

N

N

G

R

K

T

T

L

L

G

G

I

I

V

L

G

G

M

L

G

G

S
x
R

L
x
I

G

G

Q

R

A

E

L

V

A

A

Q

T

R

R

L

M

S

Q

S

S

F

F

E

G

M

M

N

K

L

T

I

I

Y

G

T
x
Y

D
|
D

A
x
P

I
|
I

P

I

L

S

P

P

K

-

E

E

K

V

A

S

A

A

A

S

W

F

C

G

L

V

S

Q

Q

Q

V

L

S

P

L

L

D

E

T

E

L

I

L

W

A

P

T

L

S

C

D

D

F

F

V

I

V

T

L

V

M
x
H

V
x
T

P
|
P

L

L

Q

L

P

P

E

S

T
|
T

F

T

H

G

L

L

I

L

N

N

E

D

K

N

S

T

L

F

A

A

R

Q

M

C

K

K

P

K

G

G

S

V

F

R

L

V

I

V

N

N

P
x
C

C
x
A

R
|
R

G

G

S

G

V

I

V

V

D

D

E

E

Q

G

A

A

V

L

S

L

D

R

A

A

L

L

A

Q

S

S

G

G

H

Q

L

C

A

A

G

G

Y

A

A

A

A

L

D

D

V

V

F

F

E

T

L

E

E

E

D

-

W

-

A

-

R

-

S

-

D

-

R

-

P

-

S

-

K

-

I

-

P

P

-

R

-

D

S

R

L

A

L

L

E

V

K

D

Q

H

D

E

Q

N

T

V

F

I

F

S

T

C

P

P

H
|
H

L

L

G
|
G

S

A

A

S

V

T

D

K

D

E

binding 1,4-dihydronicotinamide adenine dinucleotide: N96 (≠ L100), A100 (≠ T104), R149 (≠ S155), I150 (≠ L156), Y168 (≠ T174), D169 (= D175), P170 (≠ A176), I171 (= I177), H200 (≠ M207), T201 (≠ V208), P202 (= P209), T207 (= T214), C228 (≠ P235), A229 (≠ C236), R230 (= R237), H277 (= H293), G279 (= G295)

6rj3A Crystal structure of phgdh in complex with compound 15 (see paper)
34% identity, 82% coverage: 31:300/330 of query aligns to 27:284/297 of 6rj3A

query
sites
6rj3A

R

K

E

Q

T

N

L

L

P

S

R

K

E

E

I

L

L

I

K

A

L

E

A

L

Q

Q

D

D

A

C

E

E

A

G

L

L

M

I

V

V

F

R

M

S

P

A

D

T

R

K

I

V

D

T

E

A

A

D

F

V

L

I

K

N

A

A

C

A

P

E

K

K

L

L

K

Q

I

V

A

G

G

R

A

A

L

G

K

T

G

G

Y

V

D

D

N

N

F

V

D

D

V

L

D

E

A

A

C

A

T

T

R

R

Q

K

G

G

I

I

W

L

F

V

T

M

I

N

V

T

P

P

S

N

L

G

L

N

A

S

V

L

P

S

T

A

A

A

E

E

L

L

T

T

I

C

G

G

L

M

I

I

I

M

G

C

L

L

A

A

R

R

Q

Q

M

I

L

P

L

Q

G

A

D

T

R

A

L

S

I

M

R

K

Q

D

G

G

T

K

F

W

A

E

G

-

W

-

R

R

P

K

H

K

L

F

Y

M

G

G

M

T

G

E

L

L

A

N

N

G

R

K

T

T

L

L

G

G

I

I

V
x
L

G

G

M

L

G

G

S

R

L

I

G

G

Q

R

A

E

L

V

A

A

Q

T

R

R

L

M

S

Q

S

S

F

F

E

G

M

M

N

K

L

T

I

I

Y

G

T
x
Y

D
|
D

A
x
P

I
|
I

P
x
I

L

S

P

P

K

-

E

E

K

V

A

S

A

A

A

S

W

F

C

G

L

V

S

Q

Q

Q

V

L

S

P

L

L

D

E

T

E

L

I

L

W

A

P

T

L

S

C

D

D

F

F

V

I

V

T

L

V

M
x
H

V
x
T

P
|
P

L

L

Q

L

P

P

E

S

T

T

F

T

H

G

L
|
L

I

L

N

N

E

D

K

N

S

T

L

F

A

A

R

Q

M

C

K

K

P

K

G

G

S

V

F

R

L

V

I

V

N

N

P

C

C

A

R

R

G

G

S

G

V

I

V

V

D

D

E

E

Q

G

A

A

V

L

S

L

D

R

A

A

L

L

A

Q

S

S

G

G

H

Q

L

C

A

A

G

G

Y

A

A

A

A

L

D

D

V

V

F

F

E

T

L

E

E

E

D

-

W

-

A

-

R

-

S

-

D

-

R

-

P

-

S

-

K

-

I

-

P

P

-

R

-

D

S

R

L

A

L

L

E

V

K

D

Q

H

D

E

Q

N

T

V

F

I

F

S

T

C

P

P

H

H

L

L

G

G

S

A

A

S

V

T

D

K

D

E

binding 4-[(1~{R})-1-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]ethyl]benzoic acid: L145 (≠ V151), Y168 (≠ T174), D169 (= D175), P170 (≠ A176), I171 (= I177), I172 (≠ P178), H200 (≠ M207), T201 (≠ V208), P202 (= P209), L210 (= L217)

Query Sequence

>WP_012409720.1 NCBI__GCF_000020025.1:WP_012409720.1
MKPKVVITHWVHPEIITNLSEYCEVVANPTRETLPREEILKLAQDAEALMVFMPDRIDEA
FLKACPKLKIIAGALKGYDNFDVDACTRQGIWFTIVPSLLAVPTAELTIGLIIGLARQML
LGDRLIRQGTFAGWRPHLYGMGLANRTLGIVGMGSLGQALAQRLSSFEMNLIYTDAIPLP
KEKAAAWCLSQVSLDTLLATSDFVVLMVPLQPETFHLINEKSLARMKPGSFLINPCRGSV
VDEQAVSDALASGHLAGYAADVFELEDWARSDRPSKIPPSLLEKQDQTFFTPHLGSAVDD
LRYDIAIEASQNILQVLQGHSPQGAINCPS

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