SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_011875617.1 NCBI__GCF_000016205.1:WP_011875617.1 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
72% identity, 97% coverage: 1:329/339 of query aligns to 1:329/330 of 6ih6A

query
sites
6ih6A

M

M

K

K

P

P

K

K

I

V

V

V

L

L

T

T

H

H

W

W

V

V

H

H

P

P

E

E

I

I

D

E

L

L

Q

S

S

A

A

S

A

A

D

D

V

V

I

I

P

P

N

N

T

T

R

R

E

E

T

T

L

L

P

P

R

R

E

S

D

E

L

V

L

I

L

A

R

R

A

A

K

K

D

D

A

A

D

D

A

A

L

L

M

M

V

A

F

F

M

M

P

P

D

D

T

S

I

I

D

D

A

S

D

A

F

F

L

L

G

E

R

E

C

C

P

P

K

K

L

L

K

R

I

V

V

I

S

G

A

A

L

L

K

K

G

G

Y

Y

D

D

N

N

F

F

D

D

V

V

D

N

A

A

C

C

T

T

Q

R

R

H

G

G

I

V

W

W

F

L

S

T

I

I

V

V

P

P

D

D

L

L

T

T

I

I

P

P

T
|
T

A

A

E

E

L

L

T

T

I

I

G

G

L

L

G

G

L

L

T

T

R

R

H

H

L

M

M

L

E

E

G

G

D

D

R

R

R

Q

I

I

R

R

S

S

G

G

R

H

F

F

Q

Q

G

G

W

W

R

R

P

P

E

T

L

L

Y

Y

G

G

I

S

G

G

L

L

T

T

G

G

R

K

T

T

L

L

G

G

I

I

V
x
R

G

G

M

M

G
|
G

A
|
A

V
|
V

G

G

R

R

A

A

I

I

A

A

R

Q

R

R

L

L

S

A

A

G

F

F

D

E

M

M

K

N

L

L

V

L

Y

Y

C

C

D
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D

N

R

V

I

A

P

L

L

T

N

D

A

D

E

L

Q

E

E

Q

K

A

A

W

W

G

H

A

V

R

Q

R

R

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T

L

L

D

D

E

E

L

L

A

E

T

K

S

C

D

D

F

Y

V

V

P

P

M
x
A

L
x
V

P
|
P

M

M

T

A

P

A

Q

E

N
x
T

L

L

H

H

L

L

F

I

N

D

A

A

D

T

T

A

I

L

G

A

K

K

M

M

Q

K

S

T

G

G

S

S

Y

Y

L

L

I

I

N

N

A
|
A

C
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C

R
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R

G

G

S

S

V

V

D

D

E

E

S

N

A

A

V

V

V

I

E

A

A

A

L

L

R

A

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S

G

G

R

K

L

L

A

A

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G

Y

Y

A

A

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E

M

M

E

E

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W

A

I

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A

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D

R

R

P

P

E

Q

S

A

I

I

P

P

Q

K

S

A

L

L

D

D

N

N

T

T

L

A

Q

Q

T

T

F

F

T

T

P

P

H

H

L

L

G

G

S

S

A

A

V

V

K

K

E

E

V

V

R

R

I

L

E

E

I

I

E

E

R

R

Q

Q

A

A

T

M

N

N

I

I

L

I

Q

Q

A

A

L

L

A

A

G

G

E

E

R

K

P

P

V

M

G

G

A

A

I

I

N

N

N

Q

P

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 (= A155), V156 (= V156), D175 (= D175), A207 (≠ M207), V208 (≠ L208), P209 (= P209), T214 (≠ N214), A235 (= A235), C236 (= C236), R237 (= R237)

4e5kA Thermostable phosphite dehydrogenase in complex with NAD and sulfite (see paper)
55% identity, 96% coverage: 1:327/339 of query aligns to 1:326/329 of 4e5kA

query
sites
4e5kA

M

M

K

L

P

P

K

K

I

L

V

V

L

I

T

T

H

H

W

R

V

V

H

H

P

E

E

E

I

I

I

L

D

Q

L

L

Q

A

S

P

A

H

A

C

D

E

V

L

I

I

P

T

N

N

T

Q

T

T

R

D

E

S

T

T

L

L

P

T

R

R

E

E

D

E

L

I

L

L

L

R

R

R

A

C

K

R

D

D

A

A

D

Q

A

A

L

M

M

M

V

A

F

F

M
|
M

P

P

D

D

T

R

I

V

D

D

A

A

D

D

F

F

L

L

G

Q

R

A

C

C

P

P

K

E

L

L

K

R

I

V

V

I

S

G

A

C

A

A

L
|
L

K
|
K

G
|
G

Y

F

D

D

N

N

F

F

D

D

V

V

D

D

A

A

C

C

T

T

Q

A

R

R

G

G

I

V

W

W

F

L

S

T

I

F

V

V

P

P

D

D

L

L

L
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L

T

T

I

V

P

P

T
|
T

A

A

E

E

L

L

T

A

I

I

G

G

L

L

L

A

L

V

G

G

L

L

T

G

R

R

H

H

L

L

M

R

E

A

G

A

D

D

R

A

R

F

I

V

R

R

S

S

G

G

R

K

F

F

Q

R

G

G

W

W

R

Q

P

P

E

R

L

F

Y

Y

G

G

I

T

G

G

L

L

T

D

G

N

R

A

T

T

L

V

G

G

I

F

V

L

G
|
G

M

M

G
|
G

A
|
A

V
x
I

G

G

R

L

A

A

I

M

A

A

R

D

R

R

L

L

S

Q

A

G

F

W

D

G

M

A

K

T

L

L

V

Q

Y

Y

C
x
H

D
x
E

N
x
A

V

K

A

A

L

L

T

D

D

T

D

Q

L

T

E

E

Q

Q

A

R

W

L

G

G

A

L

R

R

R

Q

L

V

S

A

L

C

D

S

E

E

L

L

L

F

A

A

T

S

S

S

D

D

F

F

V

I

V

L

P

L

M
x
A

L
|
L

P
|
P

M

L

T

N

P

A

Q

D

N

T

L

L

H

H

L

L

F

V

N

N

A

A

D

E

T

L

I

L

G

A

K

L

M

V

Q

R

S

P

G

G

S

A

Y

L

L

L

I

V

N

N

A
x
P

C
|
C

R
|
R

G

G

S

S

V

V

D

D

E

E

S

A

A

A

V

V

V

L

E

A

A

A

L

L

R

E

T

R

G

G

R

Q

L

L

A

G

G

G

Y

Y

A

A

D
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D

V

V

F

F

E

E

M

M

E
|
E

E

D

W

W

A

A

R

R

P

A

E

D

R

R

P

P

E

Q

S

Q

I

I

P

D

Q

P

S

A

L

L

D

A

N

H

T

P

L

-

Q

N

T

T

F

L

F

F

T

T

P

P

H
|
H

L

I

G
|
G

S

S

A

A

V

V

K

R

E

A

V

V

R

R

I

L

E

E

I

I

E

E

R

R

Q

C

A

A

T

Q

N

N

I

I

L

L

Q

Q

A

A

L

L

A

A

G

G

E

E

R

R

P

P

V

I

G

N

A

A

I

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 (= A155), I156 (≠ V156), H174 (≠ C174), E175 (≠ D175), A176 (≠ N176), A207 (≠ M207), L208 (= L208), P209 (= P209), P235 (≠ A235), 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)
55% identity, 96% coverage: 1:327/339 of query aligns to 1:326/332 of 4e5pA

query
sites
4e5pA

M

M

K

L

P

P

K

K

I

L

V

V

L

I

T

T

H

H

W

R

V

V

H

H

P

E

E

E

I

I

I

L

D

Q

L

L

Q

A

S

P

A

H

A

C

D

E

V

L

I

I

P

T

N

N

T

Q

T

T

R

D

E

S

T

T

L

L

P

T

R

R

E

E

D

E

L

I

L

L

L

R

R

R

A

C

K

R

D

D

A

A

D

Q

A

A

L

M

M

M

V

A

F

F

M

M

P

P

D

D

T

R

I

V

D

D

A

A

D

D

F

F

L

L

G

Q

R

A

C

C

P

P

K

E

L

L

K

R

I

V

V

I

S

G

A

C

A

A

L

L

K
|
K

G

G

Y

F

D

D

N

N

F

F

D

D

V

V

D

D

A

A

C

C

T

T

Q

A

R

R

G

G

I

V

W

W

F

L

S

T

I

F

V

V

P

P

D

D

L

L

L
|
L

T

T

I

V

P

P

T
|
T

A

A

E

E

L

L

T

A

I

I

G

G

L

L

L

A

L

V

G

G

L

L

T

G

R

R

H

H

L

L

M

R

E

A

G

A

D

D

R

A

R

F

I

V

R

R

S

S

G

G

R

Q

F

F

Q

R

G

G

W

W

R

Q

P

P

E

R

L

F

Y

Y

G

G

I

T

G

G

L

L

T

D

G

N

R

A

T

T

L

V

G

G

I

F

V

L

G

G

M

M

G
|
G

A
|
A

V
x
I

G

G

R

L

A

A

I

M

A

A

R

D

R

R

L

L

S

Q

A

G

F

W

D

G

M

A

K

T

L

L

V

Q

Y

Y

C

H

D
x
A

N
x
R

V

K

A

A

L

L

T

D

D

T

D

Q

L

T

E

E

Q

Q

A

R

W

L

G

G

A

L

R

R

R

Q

L

V

S

A

L

C

D

S

E

E

L

L

L

F

A

A

T

S

S

S

D

D

F

F

V

I

V

L

P

L

M

A

L
|
L

P
|
P

M

L

T

N

P

A

Q

D

N
x
T

L

L

H

H

L

L

F

V

N

N

A

A

D

E

T

L

I

L

G

A

K

L

M

V

Q

R

S

P

G

G

S

A

Y

L

L

L

I

V

N

N

A
x
P

C
|
C

R
|
R

G

G

S

S

V

V

D

D

E

E

S

A

A

A

V

V

V

L

E

A

A

A

L

L

R

E

T

R

G

G

R

Q

L

L

A

G

G

G

Y

Y

A

A

D
|
D

V

V

F

F

E

E

M

M

E
|
E

E

D

W

W

A

A

R

R

P

A

E

D

R

R

P

P

E

Q

S

Q

I

I

P

D

Q

P

S

A

L

L

D

A

N

H

T

P

L

-

Q

N

T

T

F

L

F

F

T

T

P

P

H
|
H

L

I

G

G

S

S

A

A

V

V

K

R

E

A

V

V

R

R

I

L

E

E

I

I

E

E

R

R

Q

C

A

A

T

Q

N

N

I

I

L

L

Q

Q

A

A

L

L

A

A

G

G

E

E

R

R

P

P

V

I

G

N

A

A

I

V

N

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 (= A155), I156 (≠ V156), A175 (≠ D175), R176 (≠ N176), L208 (= L208), P209 (= P209), T214 (≠ N214), P235 (≠ A235), C236 (= C236), R237 (= R237), H292 (= H293)

4e5mA Thermostable phosphite dehydrogenase e175a/a176r in complex with NADP (see paper)
55% identity, 96% coverage: 1:327/339 of query aligns to 1:326/329 of 4e5mA

query
sites
4e5mA

M

M

K

L

P

P

K

K

I

L

V

V

L

I

T

T

H

H

W

R

V

V

H

H

P

E

E

E

I

I

I

L

D

Q

L

L

Q

A

S

P

A

H

A

C

D

E

V

L

I

I

P

T

N

N

T

Q

T

T

R

D

E

S

T

T

L

L

P

T

R

R

E

E

D

E

L

I

L

L

L

R

R

R

A

C

K

R

D

D

A

A

D

Q

A

A

L

M

M

M

V

A

F

F

M

M

P

P

D

D

T

R

I

V

D

D

A

A

D

D

F

F

L

L

G

Q

R

A

C

C

P

P

K

E

L

L

K

R

I

V

V

I

S

G

A

C

A

A

L

L

K
|
K

G

G

Y

F

D

D

N

N

F

F

D

D

V

V

D

D

A

A

C

C

T

T

Q

A

R

R

G

G

I

V

W

W

F

L

S

T

I

F

V

V

P

P

D

D

L

L

L
|
L

T

T

I

V

P

P

T
|
T

A

A

E

E

L

L

T

A

I

I

G

G

L

L

L

A

L

V

G

G

L

L

T

G

R

R

H

H

L

L

M

R

E

A

G

A

D

D

R

A

R

F

I

V

R

R

S

S

G

G

R

Q

F

F

Q

R

G

G

W

W

R

Q

P

P

E

R

L

F

Y

Y

G

G

I

T

G

G

L

L

T

D

G

N

R

A

T

T

L

V

G

G

I

F

V

L

G

G

M

M

G
|
G

A
|
A

V
x
I

G

G

R

L

A

A

I

M

A

A

R

D

R

R

L

L

S

Q

A

G

F

W

D

G

M

A

K

T

L

L

V

Q

Y

Y

C

H

D

A

N
x
R

V

K

A

A

L

L

T

D

D

T

D

Q

L

T

E

E

Q

Q

A

R

W

L

G

G

A

L

R

R

R

Q

L

V

S

A

L

C

D

S

E

E

L

L

L

F

A

A

T

S

S

S

D

D

F

F

V

I

V

L

P

L

M

A

L
|
L

P
|
P

M

L

T

N

P

A

Q

D

N
x
T

L

L

H

H

L

L

F

V

N

N

A

A

D

E

T

L

I

L

G

A

K

L

M

V

Q

R

S

P

G

G

S

A

Y

L

L

L

I

V

N

N

A
x
P

C
|
C

R
|
R

G

G

S

S

V

V

D

D

E

E

S

A

A

A

V

V

V

L

E

A

A

A

L

L

R

E

T

R

G

G

R

Q

L

L

A

G

G

G

Y

Y

A

A

D
|
D

V

V

F

F

E

E

M

M

E
|
E

E

D

W

W

A

A

R

R

P

A

E

D

R

R

P

P

E

Q

S

Q

I

I

P

D

Q

P

S

A

L

L

D

A

N

H

T

P

L

-

Q

N

T

T

F

L

F

F

T

T

P

P

H
|
H

L

I

G
|
G

S

S

A

A

V

V

K

R

E

A

V

V

R

R

I

L

E

E

I

I

E

E

R

R

Q

C

A

A

T

Q

N

N

I

I

L

L

Q

Q

A

A

L

L

A

A

G

G

E

E

R

R

P

P

V

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 (= A155), I156 (≠ V156), R176 (≠ N176), L208 (= L208), P209 (= P209), T214 (≠ N214), P235 (≠ A235), 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, 97% coverage: 1:328/339 of query aligns to 1:323/334 of 5aovA

query
sites
5aovA

M

M

K

K

P

P

K

K

I

V

V

F

L

I

T

T

H

R

W

A

V

I

H

P

P

E

E

N

I

G

I

I

D

N

L

M

L

L

Q

E

S

E

A

E

A

F

D

E

V

V

I

E

P

V

N

W

T

E

R

E

E

R

T

E

L

I

P

P

R

R

E

E

D

K

L

L

L

E

R

K

A

V

K

K

D

D

A

V

D

D

A

A

L

L

M

V

V

T

F
x
M

M
x
L

P

S

D

E

T

R

I

I

D

D

A

Q

D

E

F

V

L

F

G

E

R

N

C

A

P

P

K

R

L

L

K

R

I

I

V

V

S

A

A

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

Q

R

R

R

G

G

I

I

W

Y

F

V

S

T

I

N

V

T

P

P

D

D

L

V

L
|
L

T

T

I

N

P

A

T
|
T

A

A

E

D

L

H

T

A

I

F

G

A

L

L

G

A

L

T

T

A

R

R

H

H

L

V

M

V

E

K

G

G

D

D

R

K

R

F

I

V

R

R

S

S

G

G

R

E

F

W

Q

K

-

R

-

K

-

G

-

I

G

A

W

W

R

H

P

P

E

K

L

W

Y

F

-

L

G

G

I

Y

G

E

L

L

T

Y

G

G

R

K

T

T

L

I

G

G

I

I

V

V

G

G

M
x
F

G
|
G

A
x
R

V
x
I

G

G

R

Q

A

A

I

I

A

A

R

R

L

A

S

K

A

G

F

F

D

N

M

M

K

R

L

I

V

L

Y

Y

C

Y

D
x
S

N
x
R

V

T

A

R

L

-

T

K

D

S

D

Q

L

A

E

E

Q

K

A

E

W

L

G

G

A

A

R

E

R

Y

L

R

S

P

L

L

D

E

E

E

L

V

L

L

A

K

T

E

S

S

D

D

F

F

V

V

V

I

P

L

M
x
A

L
x
V

P
|
P

M

L

T

T

P

K

Q

E

N
x
T

L

M

H

Y

L

M

F

I

N

N

A

E

D

E

T

R

I

L

G

K

K

L

M

M

Q

K

S

P

G

T

S

A

Y

I

L

L

I

V

N

N

A
x
I

C
x
A

R
|
R

G

G

S

K

V

V

D

D

E

T

S

K

A

A

V

L

V

I

E

K

A

A

L

L

R

K

T

E

G

G

R

W

L

I

A

A

G

G

Y

A

A

G

A

L

D
|
D

V

V

F

F

E

E

M

E

E
|
E

E

P

W

Y

A

Y

R

N

P

E

E

E

R

-

P

-

E

-

S

-

I

-

P

-

Q

L

S

F

L

S

L

L

D

D

N

N

T

V

L

V

Q

-

T

-

F

-

F

L

T

T

P

P

H
|
H

L

I

G
|
G

S

S

A

A

V

T

K

F

E

E

V

A

R

R

I

E

E

A

I

M

E

A

R

E

Q

L

A

V

A

A

T

R

N

N

I

L

L

I

Q

A

A

F

L

K

A

R

G

G

E

E

R

I

P

P

V

P

G

T

A

L

I

V

N

N

N

K

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 (≠ A155), I161 (≠ V156), S180 (≠ D175), R181 (≠ N176), A211 (≠ M207), V212 (≠ L208), P213 (= P209), T218 (≠ N214), I239 (≠ A235), 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, 96% coverage: 2:327/339 of query aligns to 1:321/332 of 6biiA

query
sites
6biiA

K

K

P

P

K

K

I

V

V

L

L

I

T

T

H

R

W

A

V

I

H

P

P

E

E

N

I

G

I

I

D

E

L

L

Q

R

S

E

A

H

A

F

D

E

V

V

I

E

P

V

N

W

T

E

T

H

R

E

E

H

T

E

L

I

P

P

R

R

E

E

D

V

L

L

L

E

R

K

A

V

K

K

D

D

A

V

D

D

A

A

L

L

M

V

V

T

F

M

M

L

P

S

D

E

T

K

I

I

D

D

A

R

D

E

F

V

L

F

G

D

R

A

C

A

P

P

K

R

L

L

K

R

I

I

V

V

S

A

A

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

Q

K

R

R

G

G

I

I

W

Y

F

V

S

T

I

N

V

T

P

P

D

D

L

V

L
|
L

T

T

I

D

P

A

T
|
T

A

A

E

D

L

L

T

A

I

W

G

A

L

L

G

A

L

A

T

A

R

R

H

H

L

V

M

V

E

K

G

G

D

D

R

K

R

F

I

V

R

R

S

S

G

G

R

E

F

W

Q

K

-

R

-

G

-

I

G

A

W

W

R

H

P

P

E

K

L

M

Y

F

-

L

G

G

I

Y

G

D

L

V

T

Y

G

G

R

K

T

T

L

I

G

G

I

I

V

V

G
|
G

M
x
F

G
|
G

A
x
R

V
x
I

G

G

R

Q

A

A

I

I

A

A

R

K

R

R

L

A

S

K

A

G

F

F

D

G

M

M

K

R

L

I

V

L

Y

Y

C

T

D
x
A

N
x
R

V

-

A
x
S

L

R

T
x
K

D

P

D

E

L

A

E

E

Q

K

A

E

W

L

G

G

A

A

R

E

R

F

L

K

S

P

L

L

D

E

E

E

L

L

A

R

T

E

S

S

D

D

F

F

V

V

P

L

M

A

L
x
V

P
|
P

M

L

T

T

P

K

Q
x
E

N
x
T

L

Y

H

H

L

M

F

I

N

N

A

E

D

E

T

R

I

L

G

R

K

L

M

M

Q

K

S

P

G

T

S

A

Y

V

L

L

I

V

N

N

A
x
V

C
x
A

R
|
R

G

G

S

K

V

V

D

D

E

T

S

K

A

A

V

L

V

I

E

R

A

A

L

L

R

K

T

E

G

G

R

W

L

I

A

A

G

A

Y

A

A

G

A

L

D
|
D

V

V

F

F

E

E

M

E

E
|
E

E

P

W

Y

A

Y

R

D

P

E

E

E

R

-

P

-

E

-

S

-

I

-

P

-

Q

L

S

F

L

A

L

L

D

D

N

N

T

V

L

V

Q

-

T

-

F

-

F

L

T

T

P

P

H
|
H

L

I

G
|
G

S

S

A

A

V

T

K

F

E

G

V

A

R

R

I

E

E

G

I

M

E

A

R

E

Q

L

A

V

A

A

T

K

N

N

I

L

L

I

Q

A

A

F

L

K

A

N

G

G

E

E

R

V

P

P

V

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 (≠ A155), I160 (≠ V156), A179 (≠ D175), R180 (≠ N176), S181 (≠ A178), K183 (≠ T180), V211 (≠ L208), P212 (= P209), E216 (≠ Q213), T217 (≠ N214), V238 (≠ A235), 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, 96% coverage: 1:327/339 of query aligns to 1:322/334 of O58320

query
sites
O58320

M

M

K

K

P

P

K

K

I

V

V

F

L

I

T

T

H

R

W

E

V

I

H

-

P

P

E

E

I

V

-

G

I

I

D

K

L

M

L

L

Q

E

S

D

A

E

A

F

D

E

V

V

I

E

P

V

N

W

T

G

T

D

R

E

E

K

T

E

L

I

P

P

R

R

E

E

D

I

L

L

L

K

R

K

A

V

K

K

D

E

A

V

D

D

A

A

L

L

M

V

V

T

F

M

M

L

P

S

D

E

T

R

I

I

D

D

A

K

D

E

F

V

L

F

G

E

R

N

C

A

P

P

K

K

L

L

K

R

I

I

V

V

S

A

A

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

Q

K

R

R

G

G

I

I

W

Y

F

V

S

T

I

N

V

T

P

P

D

D

L

V

L

L

T

T

I

D

P

A

T

T

A

A

E

D

L

L

T

A

I

F

G

A

L

L

G

A

L

T

T

A

R

R

H

H

L

V

M

V

E

K

G

G

D

D

R

R

R

F

I

V

R

R

S

S

G

G

R

E

F

W

Q

K

-

K

-

R

-

G

-

V

G

A

W

W

R

H

P

P

E

K

L

W

Y

F

-

L

G

G

I

Y

G

D

L

V

T

Y

G

G

R

K

T

T

L

I

G

G

I

I

V

I

G

G

M
x
L

G
|
G

A
x
R

V
x
I

G

G

R

Q

A

A

I

I

A

A

R

K

R

R

L

A

S

K

A

G

F

F

D

N

M

M

K

R

L

I

V

L

Y

Y

C

Y

D
x
S

N
x
R

V
x
T

A

R

L

-

T

K

D

E

L

V

E

E

Q

R

A

E

W

L

G

N

A

A

R

E

R

F

L

K

S

P

L

L

D

E

E

D

L

L

A

R

T

E

S

S

D

D

F

F

V

V

P

L

M

A

L

V

P

P

M

L

T

T

P

R

Q

E

N

T

L

Y

H

H

L

L

F

I

N

N

A

E

D

E

T

R

I

L

G

K

K

L

M

M

Q

K

S

K

G

T

S

A

Y

I

L

L

I

I

N

N

A
x
I

C
x
A

R
|
R

G

G

S

K

V

V

D

D

E

T

S

N

A

A

V

L

V

V

E

K

A

A

L

L

R

K

T

E

G

G

R

W

L

I

A

A

G

G

Y

A

A

G

A

L

D

D

V

V

F

F

E

E

M

E

E

E

E

P

W

Y

A

Y

R

N

P

E

E

E

R

L

P

F

E

K

S

-

I

-

P

-

Q

-

S

-

L

-

L

L

D

D

N

N

T

V

L

V

Q

-

T

-

F

-

F

L

T

T

P

P

H
|
H

L
x
I

G
|
G

S

S

A

A

V

S

K

F

E

G

V

A

R

R

I

E

E

G

I

M

E

A

R

E

Q

L

A

V

A

A

T

K

N

N

I

L

L

I

Q

A

A

F

L

K

A

R

G

G

E

E

R

I

P

P

V

P

G

T

A

L

I

V

N

N

LGRI 158:161 (≠ MGAV 153:156) binding NADP(+)
SRT 180:182 (≠ DNV 175:177) binding NADP(+)
IAR 239:241 (≠ ACR 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, 96% coverage: 1:327/339 of query aligns to 1:322/333 of 2dbqA

query
sites
2dbqA

M

M

K

K

P

P

K

K

I

V

V

F

L

I

T

T

H

R

W

E

V

I

H

-

P

P

E

E

I

V

-

G

I

I

D

K

L

M

L

L

Q

E

S

D

A

E

A

F

D

E

V

V

I

E

P

V

N

W

T

G

T

D

R

E

E

K

T

E

L

I

P

P

R

R

E

E

D

I

L

L

L

K

R

K

A

V

K

K

D

E

A

V

D

D

A

A

L

L

M

V

V

T

F

M

M

L

P

S

D

E

T

R

I

I

D

D

A

K

D

E

F

V

L

F

G

E

R

N

C

A

P

P

K

K

L

L

K

R

I

I

V

V

S

A

A

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

Q

K

R

R

G

G

I

I

W

Y

F

V

S

T

I

N

V

T

P

P

D

D

L

V

L
|
L

T

T

I

D

P

A

T
|
T

A

A

E

D

L

L

T

A

I

F

G

A

L

L

G

A

L

T

T

A

R

R

H

H

L

V

M

V

E

K

G

G

D

D

R

R

R

F

I

V

R

R

S

S

G

G

R

E

F

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Q

K

-

K

-

R

-

G

-

V

G

A

W

W

R

H

P

P

E

K

L

W

Y

F

-

L

G

G

I

Y

G

D

L

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T

Y

G

G

R

K

T

T

L

I

G

G

I

I

V

I

G

G

M
x
L

G
|
G

A
x
R

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x
I

G

G

R

Q

A

A

I

I

A

A

R

K

R

R

L

A

S

K

A

G

F

F

D

N

M

M

K

R

L

I

V

L

Y

Y

C

Y

D
x
S

N
x
R

V
x
T

A

R

L

-

T

K

D

E

L

V

E

E

Q

R

A

E

W

L

G

N

A

A

R

E

R

F

L

K

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P

L

L

D

E

E

D

L

L

A

R

T

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x
A

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x
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|
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x
T

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Y

H

H

L

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I

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N

A

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E

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I

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K

L

M

M

Q

K

S

K

G

T

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A

Y

I

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L

I

I

N

N

A
x
I

C
x
A

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|
R

G

G

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K

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V

D

D

E

T

S

N

A

A

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L

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V

E

K

A

A

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L

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K

T

E

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R

W

L

I

A

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Y

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D

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F

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|
E

E

P

W

Y

A

Y

R

N

P

E

E

E

R

L

P

F

E

K

S

-

I

-

P

-

Q

-

S

-

L

-

L

L

D

D

N

N

T

V

L

V

Q

-

T

-

F

-

F

L

T

T

P

P

H
|
H

L

I

G
|
G

S

S

A

A

V

S

K

F

E

G

V

A

R

R

I

E

E

G

I

M

E

A

R

E

Q

L

A

V

A

A

T

K

N

N

I

L

L

I

Q

A

A

F

L

K

A

R

G

G

E

E

R

I

P

P

V

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 (≠ A155), I161 (≠ V156), S180 (≠ D175), R181 (≠ N176), T182 (≠ V177), A211 (≠ M207), V212 (≠ L208), P213 (= P209), T218 (≠ N214), I239 (≠ A235), A240 (≠ C236), R241 (= R237), D265 (= D261), H288 (= H293), G290 (= 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)
29% identity, 96% coverage: 4:327/339 of query aligns to 8:317/533 of O43175

query
sites
O43175

K

K

I

V

V

L

L

I

T

S

H

D

W

S

V

L

H

D

P

P

E

C

I

C

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D

K

L

I

L

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Q

S

D

A

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D

-

V

-

I

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Q

N

V

T

V

T

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K

E

Q

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N

L

L

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S

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K

E

E

D

E

L

L

L

I

L

A

R

E

A

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Q

D

D

A

C

D

E

A

G

L

L

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I

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P

A

D

T

T

K

I

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D

T

A

A

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G

N

R

A

C

A

P

E

K

K

L

L

K

Q

I

V

V

V

S

G

A

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

Q

R

R

K

G

G

I

I

W

L

F

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M

I

N

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P

D

N

L

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I

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S

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A

A

A

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E

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L

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T

I

C

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G

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L

I

L

M

G

C

L

L

T

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T

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A

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M

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S

D

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G

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K

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W

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E

G

-

W

-

R
|
R

P

K

E

K

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F

Y

M

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G

I

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G

E

L

L

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N

G

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L

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x
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x
I

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M

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|
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P

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-

L

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A

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x
T

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T

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H

G

L

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N

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x
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|
R

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D

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A

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A

A

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A

A

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G

Y

A

A

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D

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-

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|
H

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|
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x
A

A

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T

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K

E

E

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A

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I

S

E

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R

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A

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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 (≠ AV 155:156) binding NAD(+)
D175 (= D175) binding NAD(+)
T207 (≠ L208) binding NAD(+)
CAR 234:236 (≠ ACR 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

6plfA Crystal structure of human phgdh complexed with compound 1 (see paper)
29% identity, 93% coverage: 4:319/339 of query aligns to 4:305/305 of 6plfA

query
sites
6plfA

K

K

I

V

V

L

L

I

T

S

H

D

W

S

V

L

H

D

P

P

E

C

I

C

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D

K

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I

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L

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Q

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D

A

G

D

-

V

-

I

L

P

Q

N

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V

T

E

R

K

E

Q

T

N

L

L

P

S

R

K

E

E

D

E

L

L

L

I

L

A

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E

A

L

K

Q

D

D

A

C

D

E

A

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L

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P

A

D

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T

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I

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T

A

A

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D

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G

N

R

A

C

A

P

E

K

K

L

L

K

Q

I

V

V

V

S

G

A

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

Q

R

R

K

G

G

I

I

W

L

F

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S

M

I

N

V

T

P

P

D

N

L

G

L

N

T

S

I

L

P

S

T

A

A

A

E

E

L

L

T

T

I

C

G

G

L

M

L

I

L

M

G

C

L

L

T

A

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R

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L

I

M

P

E

Q

G

A

D

T

R

A

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S

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M

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K

S

D

G

G

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K

F

W

Q

E

G

-

W

-

R

R

P

K

E

K

L

F

Y

M

G

G

I

T

G

E

L

L

T

N

G

G

R

K

T

T

L

L

G

G

I

I

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L

G

G

M

L

G

G

A

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I

G

G

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R

A

E

I

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A

A

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R

R

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S

Q

A

S

F

F

D

G

M

M

K

K

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T

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I

Y

G

C
x
Y

D
|
D

N
x
P

V

I

A

-

L

I

T

S

D

P

D

E

L

V

E

S

Q

A

A

S

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F

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G

A

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L

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L
|
L

D

E

E

E

L

I

L

W

A

P

T

L

S

C

D

D

F

F

V

I

V

T

P

V

M
x
H

L
x
T

P
|
P

M

L

T

L

P

P

Q

S

N

T

L

T

H

G

L
|
L

F

L

N

N

A

D

D

N

T

T

I

F

G

A

K

Q

M

C

Q

K

S

K

G

G

S

V

Y

R

L

V

I

V

N

N

A

C

C

A

R

R

G

G

S

G

V

I

V

V

D

D

E

E

S

G

A

A

V

L

E

R

A

A

L

L

R

Q

T

S

G

G

R

Q

L

C

A

A

G

G

Y

A

A

A

A

L

D

D

V

V

F

F

E

T

M

E

E

E

E

-

W

-

A

-

R

-

P

P

E

P

R

R

P

-

E

-

S

-

I

-

P

D

Q

R

S

A

L

L

L

V

D

D

N

H

T

E

L

-

Q

N

T

V

F

I

F

S

T

C

P

P

H

H

L

L

G

G

S

A

A

S

V

T

K

K

E

E

V

A

R

Q

I

S

E

R

I

C

E

G

R

E

Q

E

A

I

A

A

T

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N

Q

I

F

L

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Q

D

A

M

L

V

A

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 (≠ C174), D171 (= D175), P172 (≠ N176), L189 (= L194), H202 (≠ M207), T203 (≠ L208), P204 (= P209), L212 (= L217)

6rj3A Crystal structure of phgdh in complex with compound 15 (see paper)
30% identity, 88% coverage: 4:302/339 of query aligns to 2:286/297 of 6rj3A

query
sites
6rj3A

K

K

I

V

V

L

L

I

T

S

H

D

W

S

V

L

H

D

P

P

E

C

I

C

I

R

D

K

L

I

L

L

Q

Q

S

D

A

G

D

-

V

-

I

L

P

Q

N

V

T

V

T

E

R

K

E

Q

T

N

L

L

P

S

R

K

E

E

D

E

L

L

L

I

L

A

R

E

A

L

K

Q

D

D

A

C

D

E

A

G

L

L

M

I

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V

F

R

M

S

P

A

D

T

T

K

I

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D

T

A

A

D

D

F

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L

I

G

N

R

A

C

A

P

E

K

K

L

L

K

Q

I

V

V

V

S

G

A

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

Q

R

R

K

G

G

I

I

W

L

F

V

S

M

I

N

V

T

P

P

D

N

L

G

L

N

T

S

I

L

P

S

T

A

A

A

E

E

L

L

T

T

I

C

G

G

L

M

L

I

L

M

G

C

L

L

T

A

R

R

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Q

L

I

M

P

E

Q

G

A

D

T

R

A

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S

I

M

R

K

S

D

G

G

R

K

F

W

Q

E

G

-

W

-

R

R

P

K

E

K

L

F

Y

M

G

G

I

T

G

E

L

L

T

N

G

G

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K

T

T

L

L

G

G

I

I

V
x
L

G

G

M

L

G

G

A

R

V

I

G

G

R

R

A

E

I

V

A

A

R

T

R

R

L

M

S

Q

A

S

F

F

D

G

M

M

K

K

L

T

V

I

Y

G

C
x
Y

D
|
D

N
x
P

V
x
I

A

-

L
x
I

T

S

D

P

D

E

L

V

E

S

Q

A

A

S

W

F

G

G

A

V

R

Q

L

L

S

P

L

L

D

E

E

E

L

I

L

W

A

P

T

L

S

C

D

D

F

F

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I

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T

P

V

M
x
H

L
x
T

P
|
P

M

L

T

L

P

P

Q

S

N

T

L

T

H

G

L
|
L

F

L

N

N

A

D

D

N

T

T

I

F

G

A

K

Q

M

C

Q

K

S

K

G

G

S

V

Y

R

L

V

I

V

N

N

A

C

C

A

R

R

G

G

S

G

V

I

V

V

D

D

E

E

S

G

A

A

V

L

E

R

A

A

L

L

R

Q

T

S

G

G

R

Q

L

C

A

A

G

G

Y

A

A

A

A

L

D

D

V

V

F

F

E

T

M

E

E

E

E

-

W

-

A

-

R

-

P

P

E

P

R

R

P

-

E

-

S

-

I

-

P

D

Q

R

S

A

L

L

L

V

D

D

N

H

T

E

L

-

Q

N

T

V

F

I

F

S

T

C

P

P

H

H

L

L

G

G

S

A

A

S

V

T

K

K

E

E

V

A

R

Q

binding 4-[(1~{R})-1-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]ethyl]benzoic acid: L145 (≠ V151), Y168 (≠ C174), D169 (= D175), P170 (≠ N176), I171 (≠ V177), I172 (≠ L179), H200 (≠ M207), T201 (≠ L208), P202 (= P209), L210 (= L217)

6cwaA Crystal structure phgdh in complex with nadh and 3-phosphoglycerate at 1.77 a resolution (see paper)
30% identity, 88% coverage: 4:302/339 of query aligns to 2:286/299 of 6cwaA

query
sites
6cwaA

K

K

I

V

V

L

L

I

T

S

H

D

W

S

V

L

H

D

P

P

E

C

I

C

I

R

D

K

L

I

L

L

Q

Q

S

D

A

G

D

-

V

-

I

L

P

Q

N

V

T

V

T

E

R

K

E

Q

T

N

L

L

P

S

R

K

E

E

D

E

L

L

L

I

L

A

R

E

A

L

K

Q

D

D

A

C

D

E

A

G

L

L

M

I

V

V

F

R

M

S

P

A

D

T

T

K

I

V

D

T

A

A

D

D

F

V

L

I

G

N

R

A

C

A

P

E

K

K

L

L

K

Q

I

V

V

V

S

G

A

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

Q

R

R

K

G

G

I

I

W

L

F

V

S

M

I

N

V

T

P

P

D

N

L

G

L
x
N

T

S

I

L

P

S

T
x
A

A

A

E

E

L

L

T

T

I

C

G

G

L

M

L

I

L

M

G

C

L

L

T

A

R

R

H

Q

L

I

M

P

E

Q

G

A

D

T

R

A

R

S

I

M

R

K

S

D

G

G

R

K

F

W

Q

E

G

-

W

-

R

R

P

K

E

K

L

F

Y

M

G

G

I

T

G

E

L

L

T

N

G

G

R

K

T

T

L

L

G

G

I

I

V

L

G

G

M

L

G

G

A
x
R

V
x
I

G

G

R

R

A

E

I

V

A

A

R

T

R

R

L

M

S

Q

A

S

F

F

D

G

M

M

K

K

L

T

V

I

Y

G

C
x
Y

D
|
D

N
x
P

V
x
I

A

-

L

I

T

S

D

P

D

E

L

V

E

S

Q

A

A

S

W

F

G

G

A

V

R

Q

L

L

S

P

L

L

D

E

E

E

L

I

L

W

A

P

T

L

S

C

D

D

F

F

V

I

V

T

P

V

M
x
H

L
x
T

P
|
P

M

L

T

L

P

P

Q

S

N
x
T

L

T

H

G

L

L

F

L

N

N

A

D

D

N

T

T

I

F

G

A

K

Q

M

C

Q

K

S

K

G

G

S

V

Y

R

L

V

I

V

N

N

A
x
C

C
x
A

R
|
R

G

G

S

G

V

I

V

V

D

D

E

E

S

G

A

A

V

L

E

R

A

A

L

L

R

Q

T

S

G

G

R

Q

L

C

A

A

G

G

Y

A

A

A

A

L

D

D

V

V

F

F

E

T

M

E

E

E

E

-

W

-

A

-

R

-

P

P

E

P

R

R

P

-

E

-

S

-

I

-

P

D

Q

R

S

A

L

L

L

V

D

D

N

H

T

E

L

-

Q

N

T

V

F

I

F

S

T

C

P

P

H
|
H

L

L

G
|
G

S

A

A

S

V

T

K

K

E

E

V

A

R

Q

binding 1,4-dihydronicotinamide adenine dinucleotide: N96 (≠ L100), A100 (≠ T104), R149 (≠ A155), I150 (≠ V156), Y168 (≠ C174), D169 (= D175), P170 (≠ N176), I171 (≠ V177), H200 (≠ M207), T201 (≠ L208), P202 (= P209), T207 (≠ N214), C228 (≠ A235), A229 (≠ C236), R230 (= R237), H277 (= H293), G279 (= G295)

6rj5A Crystal structure of phgdh in complex with compound 39 (see paper)
30% identity, 88% coverage: 4:302/339 of query aligns to 3:287/301 of 6rj5A

query
sites
6rj5A

K

K

I

V

V

L

L

I

T

S

H

D

W

S

V

L

H

D

P

P

E

C

I

C

I

R

D

K

L

I

L

L

Q

Q

S

D

A

G

D

-

V

-

I

L

P

Q

N

V

T

V

T

E

R

K

E

Q

T

N

L

L

P

S

R

K

E

E

D

E

L

L

L

I

L

A

R

E

A

L

K

Q

D

D

A

C

D

E

A

G

L

L

M

I

V

V

F

R

M

S

P

A

D

T

T

K

I

V

D

T

A

A

D

D

F

V

L

I

G

N

R

A

C

A

P

E

K

K

L

L

K

Q

I

V

V

V

S

G

A

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

Q

R

R

K

G

G

I

I

W

L

F

V

S

M

I

N

V

T

P

P

D

N

L

G

L

N

T

S

I

L

P

S

T

A

A

A

E

E

L

L

T

T

I

C

G

G

L

M

L

I

L

M

G

C

L

L

T

A

R

R

H

Q

L

I

M

P

E

Q

G

A

D

T

R

A

R

S

I

M

R

K

S

D

G

G

R

K

F

W

Q

E

G

-

W

-

R

R

P

K

E

K

L

F

Y

M

G

G

I

T

G

E

L

L

T

N

G

G

R

K

T

T

L

L

G

G

I

I

V
x
L

G

G

M

L

G

G

A

R

V

I

G

G

R

R

A

E

I

V

A

A

R

T

R

R

L

M

S

Q

A

S

F

F

D

G

M

M

K

K

L

T

V

I

Y

G

C
x
Y

D
|
D

N
x
P

V

I

A

-

L
x
I

T

S

D

P

D

E

L

V

E

S

Q

A

A

S

W

F

G

G

A

V

R

Q

L

L

S

P

L

L

D

E

E

E

L

I

L

W

A

P

T

L

S

C

D

D

F

F

V

I

V

T

P

V

M
x
H

L
x
T

P
|
P

M

L

T

L

P

P

Q

S

N

T

L

T

H

G

L
|
L

F

L

N

N

A

D

D

N

T

T

I

F

G

A

K

Q

M

C

Q

K

S

K

G

G

S

V

Y

R

L

V

I

V

N

N

A

C

C

A

R

R

G

G

S

G

V

I

V

V

D

D

E

E

S

G

A

A

V

L

E

R

A

A

L

L

R

Q

T

S

G

G

R

Q

L

C

A

A

G

G

Y

A

A

A

A

L

D

D

V

V

F

F

E

T

M

E

E

E

E

-

W

-

A

-

R

-

P

P

E

P

R

R

P

-

E

-

S

-

I

-

P

D

Q

R

S

A

L

L

L

V

D

D

N

H

T

E

L

-

Q

N

T

V

F

I

F

S

T

C

P

P

H

H

L

L

G

G

S

A

A

S

V

T

K

K

E

E

V

A

R

Q

binding 2-methyl-~{N}-[(1~{R})-1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-5-phenyl-pyrazole-3-carboxamide: L146 (≠ V151), Y169 (≠ C174), D170 (= D175), P171 (≠ N176), I173 (≠ L179), H201 (≠ M207), T202 (≠ L208), P203 (= P209), L211 (= L217)

6plgA Crystal structure of human phgdh complexed with compound 15 (see paper)
30% identity, 88% coverage: 4:302/339 of query aligns to 3:287/303 of 6plgA

query
sites
6plgA

K

K

I

V

V

L

L

I

T

S

H

D

W

S

V

L

H

D

P

P

E

C

I

C

I

R

D

K

L

I

L

L

Q

Q

S

D

A

G

D

-

V

-

I

L

P

Q

N

V

T

V

T

E

R

K

E

Q

T

N

L

L

P

S

R

K

E

E

D

E

L

L

L

I

L

A

R

E

A

L

K

Q

D

D

A

C

D

E

A

G

L

L

M

I

V

V

F

R

M

S

P

A

D

T

T

K

I

V

D

T

A

A

D

D

F

V

L

I

G

N

R

A

C

A

P

E

K

K

L

L

K

Q

I

V

V

V

S

G

A

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

Q

R

R

K

G

G

I

I

W

L

F

V

S

M

I

N

V

T

P

P

D

N

L

G

L

N

T

S

I

L

P

S

T

A

A

A

E

E