SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing 2629600595 IMG__TrieryIMS101_FD:2629600595 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
60% identity, 99% coverage: 4:330/331 of query aligns to 2:328/330 of 6ih6A

query
sites
6ih6A

K

K

P

P

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K

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V

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L

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T

H

H

W

W

I

V

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H

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I

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Y

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L

L

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K

A

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A

E

D

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V

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I

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N

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Y

E

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T

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L

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R

R

E

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E

E

I

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I

I

N

A

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R

T

A

K

K

E

D

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A

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A

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M

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I

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A

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L

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G

G

Y

Y

D

D

N

N

F

F

D

D

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D

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A

A

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x
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Q

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 (= T106), R151 (≠ V153), G154 (= G156), A155 (≠ K157), V156 (≠ L158), D175 (= D177), A207 (≠ M209), V208 (= V210), P209 (= P211), T214 (= T216), A235 (= A237), C236 (= C238), R237 (= R239)

4e5kA Thermostable phosphite dehydrogenase in complex with NAD and sulfite (see paper)
49% identity, 99% coverage: 5:331/331 of query aligns to 3:328/329 of 4e5kA

query
sites
4e5kA

P

P

L

K

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L

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V

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I

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T

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H

W

R

I

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H

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E

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Y

L

L

L

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A

K

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T

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C

E

E

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L

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I

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N

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Q

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Y

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x
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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
A

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P

L

L

I

N

P

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D

T

T

Y

L

H

H

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A

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L

L

L

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A

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P

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x
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R

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G

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V

D

D

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E

K

A

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W

A

A

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A

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P

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Q

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Q

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I

Y

D

N

P

T

A

L

L

I

L

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A

E

H

K

P

N

N

K

-

T

T

F

L

L

F

T

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P

H
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H

L

I

G
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S

S

A

A

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V

D

R

E

A

I

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R

R

H

L

D

E

I

I

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F

R

E

C

A

A

K

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N

N

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A

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L

active site: L100 (= L102), R237 (= R239), D261 (= D263), E266 (= E268), H292 (= H295)
binding nicotinamide-adenine-dinucleotide: K76 (≠ R78), G77 (= G79), L100 (= L102), T104 (= T106), G152 (= G154), G154 (= G156), A155 (≠ K157), I156 (≠ L158), H174 (≠ S176), E175 (≠ D177), A176 (≠ S178), A207 (≠ M209), L208 (≠ V210), P209 (= P211), P235 (≠ A237), C236 (= C238), R237 (= R239), D261 (= D263), H292 (= H295), G294 (= G297)
binding sulfite ion: M53 (= M55), L75 (= L77), K76 (≠ R78), G77 (= G79), L100 (= L102), R237 (= R239), H292 (= H295)

4e5pA Thermostable phosphite dehydrogenase a176r variant in complex with nad (see paper)
49% identity, 99% coverage: 5:331/331 of query aligns to 3:328/332 of 4e5pA

query
sites
4e5pA

P

P

L

K

V

L

V

V

I

I

T

T

H

H

W

R

I

V

H

H

S

E

Q

E

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D

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Y

L

L

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K

P

T

H

C

C

E

E

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L

I

I

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N

N

Q

Q

T

T

Q

D

Y

S

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T

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L

S

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R

E

E

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I

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C

K

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E

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A

A

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M

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D

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A

A

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V

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I

A

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G

C

A

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x
K

G

G

Y

F

D

D

N

N

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F

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D

D

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C

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A

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G

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L

L
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L

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P

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T

A

A

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E

L

L

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I

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G

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L

L

A

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G

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G

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F

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G

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P

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F

Y

Y

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N

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N

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A

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x
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L

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x
L

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P

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L

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P

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T
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T

Y

L

H

H

L

L

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N

N

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A

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L

L

A

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K

L

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K

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P

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S

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N

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x
P

C
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R

G

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D

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A

A

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L

L

A

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Y

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E

D

D

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W

A

A

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R

P

A

H

D

R

R

P

P

Q

Q

G

Q

I

I

Y

D

N

P

T

A

L

L

I

L

T

A

E

H

K

P

N

N

K

-

T

T

F

L

L

F

T

T

P

P

H
|
H

L

I

G

G

S

S

A

A

V

V

D

R

E

A

I

V

R

R

H

L

D

E

I

I

S

E

F

R

E

C

A

A

K

Q

N

N

I

I

V

L

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Q

V

A

L

L

S

A

G

G

E

E

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P

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A

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V

N

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L

active site: L100 (= L102), R237 (= R239), D261 (= D263), E266 (= E268), H292 (= H295)
binding nicotinamide-adenine-dinucleotide: K76 (≠ R78), L100 (= L102), T104 (= T106), G154 (= G156), A155 (≠ K157), I156 (≠ L158), A175 (≠ D177), R176 (≠ S178), L208 (≠ V210), P209 (= P211), T214 (= T216), P235 (≠ A237), C236 (= C238), R237 (= R239), H292 (= H295)

4e5mA Thermostable phosphite dehydrogenase e175a/a176r in complex with NADP (see paper)
49% identity, 99% coverage: 5:331/331 of query aligns to 3:328/329 of 4e5mA

query
sites
4e5mA

P

P

L

K

V

L

V

V

I

I

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T

H

H

W

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I

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Y

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E

I

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E

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x
K

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D

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N

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D

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A

A

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L

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R

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V
x
L

P
|
P

L

L

I

N

P

A

D

D

T
|
T

Y

L

H

H

L

L

I

V

N

N

Q

A

D

E

T

L

L

L

A

A

K

L

M

V

K

R

P

P

K

G

S

A

F

L

L

L

I

V

N

N

A
x
P

C
|
C

R
|
R

G

G

S

S

V

V

D

D

E

E

K

A

A

A

I

V

G

L

S

A

A

A

I

L

Q

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

M

M

E
|
E

D

D

R

W

A

A

I

R

P

A

H

D

R

R

P

P

Q

Q

G

Q

I

I

Y

D

N

P

T

A

L

L

I

L

T

A

E

H

K

P

N

N

K

-

T

T

F

L

L

F

T

T

P

P

H
|
H

L

I

G
|
G

S

S

A

A

V

V

D

R

E

A

I

V

R

R

H

L

D

E

I

I

S

E

F

R

E

C

A

A

K

Q

N

N

I

I

V

L

Q

Q

V

A

L

L

S

A

G

G

E

E

I

R

P

P

Q

I

G

N

A

A

V

V

N

N

K

R

L

L

active site: L100 (= L102), R237 (= R239), D261 (= D263), E266 (= E268), H292 (= H295)
binding nadp nicotinamide-adenine-dinucleotide phosphate: K76 (≠ R78), L100 (= L102), T104 (= T106), G154 (= G156), A155 (≠ K157), I156 (≠ L158), R176 (≠ S178), L208 (≠ V210), P209 (= P211), T214 (= T216), P235 (≠ A237), C236 (= C238), R237 (= R239), H292 (= H295), G294 (= G297)

5aovA Ternary crystal structure of pyrococcus furiosus glyoxylate hydroxypyruvate reductase in presence of glyoxylate (see paper)
37% identity, 99% coverage: 4:330/331 of query aligns to 2:323/334 of 5aovA

query
sites
5aovA

K

K

P

P

L

K

V

V

V

F

I

I

T

T

H

R

W

A

I

I

H

P

S

E

Q

N

V

G

I

I

D

N

Y

M

L

L

S

E

K

E

T

E

C

F

E

E

V

V

I

E

L

V

N

W

Q

E

T

E

Q

E

Y

R

T

E

L

I

S

P

R

R

E

E

E

K

I

L

N

E

R

K

T

V

K

K

E

D

A

V

E

D

G

A

L

L

M

V

V

T

F
x
M

M
x
L

P

S

D

E

F

R

I

I

E

D

S

Q

S

E

F

V

L

F

D

E

A

N

C

A

P

P

Q

R

L

L

K

R

V

I

I

V

A

A

G

N

A
x
Y

L
x
A

R
x
V

G
|
G

Y

Y

D

D

N

N

F

I

D

D

I

V

D

E

A

E

C

A

T

T

K

R

R

R

G

G

I

I

W

Y

F

V

T

T

I

N

V

T

P

P

D

D

L

V

L
|
L

A

T

A

N

P

A

T
|
T

A

A

E

D

L

H

T

A

V

F

G

A

L

L

G

A

L

T

A

A

R

R

R

H

M

V

L

V

E

K

G

G

D

D

R

K

L

F

I

V

R

R

D

S

G

G

Q

E

F

W

Q

K

-

R

-

K

-

G

-

I

G

A

W

W

K

H

P

P

K

K

L

W

Y

F

-

L

S

G

R

Y

G

E

L

L

L

Y

H

G

Q

K

N

T

L

I

G

G

I

I

V

V

G

G

M
x
F

G
|
G

K
x
R

L
x
I

G

G

K

Q

A

A

L

I

A

A

Q

R

R

R

L

A

V

K

G

G

F

F

N

N

M

M

N

R

-

I

L

L

F

Y

Y

Y

S
|
S

D
x
R

S

T

I

R

P

K

L

S

S

Q

V

A

E

E

Q

K

E

E

T

L

A

G

W

A

K

E

I

Y

S

R

R

-

V

-

S

P

L

L

E

E

L

V

L

L

K

K

I

E

S

S

D

D

Y

F

V

V

V

I

L

L

M
x
A

V
|
V

P
|
P

L

L

I

T

P

K

D

E

T
|
T

Y

M

H

Y

L

M

I

I

N

N

Q

E

D

E

T

R

L

L

A

K

K

L

M

M

K

K

P

P

K

T

S

A

F

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

K

K

A

A

I

L

G

I

S

K

A

A

I

L

Q

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

M

E

E
|
E

D

-

R

-

A

-

I

-

P

P

H

Y

R

-

P

-

Q

-

G

-

I

-

Y

Y

N

N

T

E

L

E

I

L

T

F

E

S

K

L

N

D

K

N

T

V

F

V

L

L

T

T

P

P

H
|
H

L

I

G
|
G

S

S

A

A

V

T

D

F

E

E

I

A

R

R

H

E

D

A

I

M

S

A

F

E

E

L

A

V

A

A

K

R

N

N

I

L

V

I

Q

A

V

F

L

K

S

R

G

G

E

E

I

I

P

P

Q

P

G

T

A

L

V

V

N

N

K

K

active site: L100 (= L102), R241 (= R239), D265 (= D263), E270 (= E268), H288 (= H295)
binding glyoxylic acid: M52 (≠ F54), L53 (≠ M55), L53 (≠ M55), Y74 (≠ A76), A75 (≠ L77), V76 (≠ R78), G77 (= G79), R241 (= R239), H288 (= H295)
binding nadp nicotinamide-adenine-dinucleotide phosphate: V76 (≠ R78), T104 (= T106), F158 (≠ M155), G159 (= G156), R160 (≠ K157), I161 (≠ L158), S180 (= S176), R181 (≠ D177), A211 (≠ M209), V212 (= V210), P213 (= P211), T218 (= T216), I239 (≠ A237), A240 (≠ C238), R241 (= R239), H288 (= H295), G290 (= G297)

6biiA Crystal structure of pyrococcus yayanosii glyoxylate hydroxypyruvate reductase in complex with NADP and malonate (re-refinement of 5aow) (see paper)
37% identity, 99% coverage: 4:330/331 of query aligns to 1:322/332 of 6biiA

query
sites
6biiA

K

K

P

P

L

K

V

V

V

L

I

I

T

T

H

R

W

A

I

I

H

P

S

E

Q

N

V

G

I

I

D

E

Y

L

L

L

S

R

K

E

T

H

C

F

E

E

V

V

I

E

L

V

N

W

Q

E

T

H

Q

E

Y

H

T

E

L

I

S

P

R

R

E

E

E

V

I

L

N

E

R

K

T

V

K

K

E

D

A

V

E

D

G

A

L

L

M

V

V

T

F

M

M

L

P

S

D

E

F

K

I

I

E

D

S

R

S

E

F

V

L

F

D

D

A

A

C

A

P

P

Q

R

L

L

K

R

V

I

I

V

A

A

G

N

A

Y

L

A

R
x
V

G

G

Y

Y

D

D

N

N

F

I

D

D

I

I

D

E

A

E

C

A

T

T

K

K

R

R

G

G

I

I

W

Y

F

V

T

T

I

N

V

T

P

P

D

D

L

V

L
|
L

A

T

A

D

P

A

T
|
T

A

A

E

D

L

L

T

A

V

W

G

A

L

L

G

A

L

A

A

A

R

R

R

H

M

V

L

V

E

K

G

G

D

D

R

K

L

F

I

V

R

R

D

S

G

G

Q

E

F

W

Q

K

-

R

-

G

-

I

G

A

W

W

K

H

P

P

K

K

L

M

Y

F

-

L

S

G

R

Y

G

D

L

V

L

Y

H

G

Q

K

N

T

L

I

G

G

I

I

V

V

G
|
G

M
x
F

G
|
G

K
x
R

L
x
I

G

G

K

Q

A

A

L

I

A

A

Q

K

R

R

L

A

V

K

G

G

F

F

N

G

M

M

N

R

L

I

F

L

Y

Y

S

T

-
x
A

D
x
R

S
|
S

I

R

P
x
K

L

P

S

E

V

A

E

E

Q

K

E

E

T

L

A

G

W

A

K

E

I

F

S

K

R

-

V

-

S

P

L

L

E

E

L

L

K

R

I

E

S

S

D

D

Y

F

V

V

L

L

M

A

V
|
V

P
|
P

L

L

I

T

P

K

D
x
E

T
|
T

Y

Y

H

H

L

M

I

I

N

N

Q

E

D

E

T

R

L

L

A

R

K

L

M

M

K

K

P

P

K

T

S

A

F

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

K

K

A

A

I

L

G

I

S

R

A

A

I

L

Q

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

M

E

E
|
E

D

-

R

-

A

-

I

-

P

P

H

Y

R

-

P

-

Q

-

G

-

I

-

Y

Y

N

D

T

E

L

E

I

L

T

F

E

A

K

L

N

D

K

N

T

V

F

V

L

L

T

T

P

P

H
|
H

L

I

G
|
G

S

S

A

A

V

T

D

F

E

G

I

A

R

R

H

E

D

G

I

M

S

A

F

E

E

L

A

V

A

A

K

K

N

N

I

L

V

I

Q

A

V

F

L

K

S

N

G

G

E

E

I

V

P

P

Q

P

G

T

A

L

V

V

N

N

K

R

active site: L99 (= L102), R240 (= R239), D264 (= D263), E269 (= E268), H287 (= H295)
binding nadp nicotinamide-adenine-dinucleotide phosphate: V75 (≠ R78), T103 (= T106), G156 (= G154), F157 (≠ M155), G158 (= G156), R159 (≠ K157), I160 (≠ L158), A179 (vs. gap), R180 (≠ D177), S181 (= S178), K183 (≠ P180), V211 (= V210), P212 (= P211), E216 (≠ D215), T217 (= T216), V238 (≠ A237), A239 (≠ C238), R240 (= R239), D264 (= D263), H287 (= H295), G289 (= G297)

2dbqA Crystal structure of glyoxylate reductase (ph0597) from pyrococcus horikoshii ot3, complexed with NADP (i41) (see paper)
38% identity, 99% coverage: 4:330/331 of query aligns to 2:323/333 of 2dbqA

query
sites
2dbqA

K

K

P

P

L

K

V

V

V

F

I

I

T

T

H

R

W

E

I

I

H

P

S

E

Q

V

V

G

I

I

D

K

Y

M

L

L

S

E

K

D

T

E

C

F

E

E

V

V

I

E

L

V

N

W

Q

G

T

D

Q

E

Y

K

T

E

L

I

S

P

R

R

E

E

E

I

I

L

N

K

R

K

T

V

K

K

E

E

A

V

E

D

G

A

L

L

M

V

V

T

F

M

M

L

P

S

D

E

F

R

I

I

E

D

S

K

S

E

F

V

L

F

D

E

A

N

C

A

P

P

Q

K

L

L

K

R

V

I

I

V

A

A

G

N

A

Y

L

A

R
x
V

G

G

Y

Y

D

D

N

N

F

I

D

D

I

I

D

E

A

E

C

A

T

T

K

K

R

R

G

G

I

I

W

Y

F

V

T

T

I

N

V

T

P

P

D

D

L

V

L
|
L

A

T

A

D

P

A

T
|
T

A

A

E

D

L

L

T

A

V

F

G

A

L

L

G

A

L

T

A

A

R

R

R

H

M

V

L

V

E

K

G

G

D

D

R

R

L

F

I

V

R

R

D

S

G

G

Q

E

F

W

Q

K

-

K

-

R

-

G

-

V

G

A

W

W

K

H

P

P

K

K

L

W

Y

F

-

L

S

G

R

Y

G

D

L

V

L

Y

H

G

Q

K

N

T

L

I

G

G

I

I

V

I

G

G

M
x
L

G
|
G

K
x
R

L
x
I

G

G

K

Q

A

A

L

I

A

A

Q

K

R

R

L

A

V

K

G

G

F

F

N

N

M

M

N

R

-

I

L

L

F

Y

Y

Y

S
|
S

D
x
R

S
x
T

I

R

P

K

L

E

S

E

V

V

E

E

Q

R

E

E

T

L

A

N

W

A

K

E

I

F

S

K

R

-

V

-

S

P

L

L

E

E

E

D

L

L

K

R

I

E

S

S

D

D

Y

F

V

V

L

L

M
x
A

V
|
V

P
|
P

L

L

I

T

P

R

D

E

T
|
T

Y

Y

H

H

L

L

I

I

N

N

Q

E

D

E

T

R

L

L

A

K

K

L

M

M

K

K

P

K

K

T

S

A

F

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

K

N

A

A

I

L

G

V

S

K

A

A

I

L

Q

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

M

E

E
|
E

D

-

R

-

A

-

I

-

P

P

H

Y

R

-

P

-

Q

-

G

-

I

-

Y

Y

N

N

T

E

L

E

I

L

T

F

E

K

K

L

N

D

K

N

T

V

F

V

L

L

T

T

P

P

H
|
H

L

I

G
|
G

S

S

A

A

V

S

D

F

E

G

I

A

R

R

H

E

D

G

I

M

S

A

F

E

E

L

A

V

A

A

K

K

N

N

I

L

V

I

Q

A

V

F

L

K

S

R

G

G

E

E

I

I

P

P

Q

P

G

T

A

L

V

V

N

N

K

R

active site: L100 (= L102), R241 (= R239), D265 (= D263), E270 (= E268), H288 (= H295)
binding nadp nicotinamide-adenine-dinucleotide phosphate: V76 (≠ R78), T104 (= T106), L158 (≠ M155), G159 (= G156), R160 (≠ K157), I161 (≠ L158), S180 (= S176), R181 (≠ D177), T182 (≠ S178), A211 (≠ M209), V212 (= V210), P213 (= P211), T218 (= T216), I239 (≠ A237), A240 (≠ C238), R241 (= R239), D265 (= D263), H288 (= H295), G290 (= G297)

O58320 Glyoxylate reductase; EC 1.1.1.26 from Pyrococcus horikoshii (strain ATCC 700860 / DSM 12428 / JCM 9974 / NBRC 100139 / OT-3)
38% identity, 99% coverage: 4:330/331 of query aligns to 2:323/334 of O58320

query
sites
O58320

K

K

P

P

L

K

V

V

V

F

I

I

T

T

H

R

W

E

I

I

H

P

S

E

Q

V

V

G

I

I

D

K

Y

M

L

L

S

E

K

D

T

E

C

F

E

E

V

V

I

E

L

V

N

W

Q

G

T

D

Q

E

Y

K

T

E

L

I

S

P

R

R

E

E

E

I

I

L

N

K

R

K

T

V

K

K

E

E

A

V

E

D

G

A

L

L

M

V

V

T

F

M

M

L

P

S

D

E

F

R

I

I

E

D

S

K

S

E

F

V

L

F

D

E

A

N

C

A

P

P

Q

K

L

L

K

R

V

I

I

V

A

A

G

N

A

Y

L

A

R

V

G

G

Y

Y

D

D

N

N

F

I

D

D

I

I

D

E

A

E

C

A

T

T

K

K

R

R

G

G

I

I

W

Y

F

V

T

T

I

N

V

T

P

P

D

D

L

V

L

L

A

T

A

D

P

A

T

T

A

A

E

D

L

L

T

A

V

F

G

A

L

L

G

A

L

T

A

A

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R

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H

M

V

L

V

E

K

G

G

D

D

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R

L

F

I

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R

R

D

S

G

G

Q

E

F

W

Q

K

-

K

-

R

-

G

-

V

G

A

W

W

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H

P

P

K

K

L

W

Y

F

-

L

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Y

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D

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L

Y

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T

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x
L

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|
G

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x
R

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x
I

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Q

A

A

L

I

A

A

Q

K

R

R

L

A

V

K

G

G

F

F

N

N

M

M

N

R

-

I

L

L

F

Y

Y

Y

S
|
S

D
x
R

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x
T

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L

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S

E

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V

E

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-

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-

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P

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L

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A

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P

L

L

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P

R

D

E

T

T

Y

Y

H

H

L

L

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I

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N

Q

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D

E

T

R

L

L

A

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K

L

M

M

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P

K

K

T

S

A

F

I

L

L

I

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N

N

A
x
I

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x
A

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|
R

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V

D

D

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N

A

A

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A

A

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E

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G

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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

D

-

R

-

A

-

I

-

P

P

H

Y

R

-

P

-

Q

-

G

-

I

-

Y

Y

N

N

T

E

L

E

I

L

T

F

E

K

K

L

N

D

K

N

T

V

F

V

L

L

T

T

P

P

H
|
H

L
x
I

G
|
G

S

S

A

A

V

S

D

F

E

G

I

A

R

R

H

E

D

G

I

M

S

A

F

E

E

L

A

V

A

A

K

K

N

N

I

L

V

I

Q

A

V

F

L

K

S

R

G

G

E

E

I

I

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P

Q

P

G

T

A

L

V

V

N

N

K

R

LGRI 158:161 (≠ MGKL 155:158) binding NADP(+)
SRT 180:182 (≠ SDS 176:178) binding NADP(+)
IAR 239:241 (≠ ACR 237:239) binding NADP(+)
HIG 288:290 (≠ HLG 295:297) binding NADP(+)

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)
31% identity, 95% coverage: 17:329/331 of query aligns to 11:317/533 of O43175

query
sites
O43175

V

I

I

S

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D

Y

S

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L

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-

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-

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E

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A

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N

A

A

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A

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E

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L

L

K

Q

V

V

I

V

A

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G

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A

A

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x
T

G

G

Y

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D

D

N

N

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D

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A

A

C

A

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K

G

G

I

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I

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P

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N

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A

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A

A

A

E

E

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T

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C

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M

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C

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A

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M

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A

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D

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G

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K

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-

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x
R

P

K

K

K

L

F

Y

M

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G

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G

E

L

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N

T

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x
R

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x
I

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|
D

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x
T

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P

L

L

I

L

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P

D

S

T

T

Y

T

H

G

L

L

I

L

N

N

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T

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A

A

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I

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N

A
x
C

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x
A

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|
R

G

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G

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I

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D

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E

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G

A

A

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A

A

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G

G

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A

A

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Y

A

A

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D

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V

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F

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T

M

E

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R

-

A

-

I

-

P

P

H

P

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G

A

I

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Y

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N

-

T

-

L

-

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T

-

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|
H

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|
L

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|
G

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x
A

A

S

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T

D

K

E

E

I

A

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H

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D

R

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F

E

E

E

A

I

A

A

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N

Q

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F

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D

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M

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G

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N

N

T78 (≠ R78) binding NAD(+)
R135 (≠ K137) 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 (≠ KL 157:158) binding NAD(+)
D175 (= D177) binding NAD(+)
T207 (≠ V210) binding NAD(+)
CAR 234:236 (≠ ACR 237:239) binding NAD(+)
D260 (= D263) binding NAD(+)
V261 (= V264) 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 295:298) 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)
31% identity, 92% coverage: 17:321/331 of query aligns to 7:305/305 of 6plfA

query
sites
6plfA

V

I

I

S

D

D

Y

S

L

L

S

D

K

P

T

C

C

C

E

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I

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L

N

Q

Q

D

-

G

-

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I

L

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N

A

R

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T

L

K

Q

E

D

A

C

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E

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G

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L

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I

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V

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M

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P

A

D

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A

S

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F

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D

N

A

A

C

A

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E

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L

L

K

Q

V

V

I

V

A

G

G

R

A

A

L

G

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T

G

G

Y

V

D

D

N

N

F

V

D

D

I

L

D

E

A

A

C

A

T

T

K

R

R

K

G

G

I

I

W

L

F

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M

I

N

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T

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P

D

N

L

G

L

N

A

S

A

L

P

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T

A

A

A

E

E

L

L

T

T

V

C

G

G

L

M

L

I

L

M

G

C

L

L

A

A

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M

I

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P

E

Q

G

A

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T

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A

L

S

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M

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D

D

G

G

Q

K

F

W

Q

E

G

-

W

-

K

R

P

K

K

K

L

F

Y

M

S

G

R

T

G

E

L

L

L

N

H

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T

L

L

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G

I

I

V

L

G

G

M

L

G

G

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L

I

G

G

K

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A

E

L

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A

A

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R

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V

Q

G

S

F

F

N

G

M

M

N

K

L

T

F

I

Y

G

S
x
Y

D
|
D

S
x
P

I

I

P

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L

I

S

S

V

P

E

E

Q

V

E

S

T

A

A

S

W

F

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G

I

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Q

V

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S

P

L
|
L

E

E

L

I

L

W

K

P

I

L

S

C

D

D

Y

F

V

I

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T

L

V

M
x
H

V
x
T

P
|
P

L

L

I

L

P

P

D

S

T

T

Y

T

H

G

L
|
L

I

L

N

N

Q

D

D

N

T

T

L

F

A

A

K

Q

M

C

K

K

P

K

K

G

S

V

F

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

K

G

A

A

I

L

G

L

S

R

A

A

I

L

Q

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

M

E

E

E

D

-

R

-

A

-

I

-

P

P

H

P

R

R

P

D

Q

R

G

-

I

-

Y

-

N

-

T

A

L

L

I

V

T

D

E

H

K

E

N

N

K

-

T

V

F

I

L

S

T

C

P

P

H

H

L

L

G

G

S

A

A

S

V

T

D

K

E

E

I

A

R

Q

H

S

D

R

I

C

S

G

F

E

E

E

A

I

A

A

K

V

N

Q

I

F

V

V

Q

D

V

M

L

V

S

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 (≠ S176), D171 (= D177), P172 (≠ S178), L189 (= L196), H202 (≠ M209), T203 (≠ V210), P204 (= P211), L212 (= L219)

6plgA Crystal structure of human phgdh complexed with compound 15 (see paper)
30% identity, 92% coverage: 17:319/331 of query aligns to 6:302/303 of 6plgA

query
sites
6plgA

V

I

I

S

D

D

Y

S

L

L

S

D

K

P

T

C

C

C

E

R

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K

I

I

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N

Q

Q

D

-

G

-

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-

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-

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K

E

E

I

L

I

I

N

A

R

E

T

L

K

Q

E

D

A

C

E

E

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G

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L

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P

A

D

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F

K

I

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T

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A

S

D

F

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I

D

N

A

A

C

A

P

E

Q

K

L

L

K

Q

V

V

I

V

A

G

G

R

A

A

L

G

R

T

G

G

Y

V

D

D

N

N

F

V

D

D

I

L

D

E

A

A

C

A

T

T

K

R

R

K

G

G

I

I

W

L

F

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T

M

I

N

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T

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P

D

N

L

G

L

N

A

S

A

L

P

S

T

A

A

A

E

E

L

L

T

T

V

C

G

G

L

M

L

I

L

M

G

C

L

L

A

A

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R

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M

I

L

P

E

Q

G

A

D

T

R

A

L

S

I

M

R

K

D

D

G

G

Q

K

F

W

Q

E

G

-

W

-

K

R

P

K

K

K

L

F

Y

M

S

G

R

T

G

E

L

L

L

N

H

G

Q

K

N

T

L

L

G

G

I

I

V

L

G

G

M

L

G
|
G

K
x
R

L

I

G

G

K

R

A

E

L

V

A

A

Q

T

R

R

L

M

V

Q

G

S

F

F

N

G

M

M

N

K

L

T

F

I

Y

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S

Y

D
|
D

S
x
P

I
|
I

P

-

L
x
I

S

S

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P

E

E

Q

V

E

S

T

A

A

S

W

F

K

G

I

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S

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R

Q

V

L

S

P

L

L

E

E

L

I

L

W

K

P

I

L

S

C

D

D

Y

F

V

I

V

T

L

V

M
x
H

V
x
T

P

P

L

L

I
x
L

P

P

D

S

T

T

Y

T

H

G

L

L

I

L

N

N

Q

D

D

N

T

T

L

F

A

A

K

Q

M

C

K

K

P

K

K

G

S

V

F

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

K

G

A

A

I

L

G

L

S

R

A

A

I

L

Q

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

M

E

E

E

D

-

R

-

A

-

I

-

P

P

H

P

R

R

P

D

Q

R

G

A

I

L

Y

V

N

D

T

-

L

-

I

-

T

-

E

-

K

H

N

E

K

N

T

V

F

I

L

S

T

C

P

P

H

H

L

L

G

G

S

A

A

S

V

T

D

K

E

E

I

A

R

Q

H

S

D

R

I

C

S

G

F

E

E

E

A

I

A

A

K

V

N

Q

I

F

V

V

Q

D

V

M

L

V

binding (2S)-(4-{3-[(4,5-dichloro-1-methyl-1H-indole-2-carbonyl)amino]oxetan-3-yl}phenyl)(pyridin-3-yl)acetic acid: G149 (= G156), R150 (≠ K157), D170 (= D177), P171 (≠ S178), I172 (= I179), I173 (≠ L181), H201 (≠ M209), T202 (≠ V210), L205 (≠ I213)

6rj2A Crystal structure of phgdh in complex with compound 40 (see paper)
30% identity, 92% coverage: 17:319/331 of query aligns to 3:299/299 of 6rj2A

query
sites
6rj2A

V

I

I

S

D

D

Y

S

L

L

S

D

K

P

T

C

C

C

E

R

V

K

I

I

L

L

N

Q

Q

D

-

G

-

L

-

Q

-

V

T

E

Q

K

Y

Q

T

N

L

L

S

S

R

K

E

E

I

L

I

I

N

A

R

E

T

L

K

Q

E

D

A

C

E

E

G

G

L

L

M

I

V

V

F

R

M

S

P

A

D

T

F

K

I

V

E

T

S

A

S

D

F

V

L

I

D

N

A

A

C

A

P

E

Q

K

L

L

K

Q

V

V

I

V

A

G

G

R

A

A

L

G

R

T

G

G

Y

V

D

D

N

N

F

V

D

D

I

L

D

E

A

A

C

A

T

T

K

R

R

K

G

G

I

I

W

L

F

V

T

M

I

N

V

T

P

P

D

N

L

G

L

N

A

S

A

L

P

S

T

A

A

A

E

E

L

L

T

T

V

C

G

G

L

M

L

I

L

M

G

C

L

L

A

A

R

R

R

Q

M

I

L

P

E

Q

G

A

D

T

R

A

L

S

I

M

R

K

D

D

G

G

Q

K

F

W

Q

E

G

-

W

-

K

R

P

K

K

K

L

F

Y

M

S

G

R

T

G

E

L

L

L

N

H

G

Q

K

N

T

L

L

G

G

I

I

V

L

G

G

M

L

G
|
G

K

R

L
x
I

G

G

K

R

A

E

L

V

A

A

Q

T

R

R

L

M

V

Q

G

S

F

F

N

G

M

M

N

K

L

T

F

I

Y

G

S
x
Y

D
|
D

S
x
P

I
|
I

P

-

L
x
I

S

S

V

P

E

E

Q

V

E

S

T

A

A

S

W

F

K

G

I

V

S

Q

R

Q

V

L

S

P

L

L

E

E

L

I

L

W

K

P

I

L

S

C

D

D

Y

F

V

I

V

T

L

V

M
x
H

V
x
T

P

P

L

L

I

L

P

P

D

S

T

T

Y

T

H

G

L
|
L

I

L

N

N

Q

D

D

N

T

T

L

F

A

A

K

Q

M

C

K

K

P

K

K

G

S

V

F

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

K

G

A

A

I

L

G

L

S

R

A

A

I

L

Q

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

M

E

E

E

D

-

R

-

A

-

I

-

P

P

H

P

R

R

P

D

Q

R

G

A

I

L

Y

V

N

D

T

-

L

-

I

-

T

-

E

-

K

H

N

E

K

N

T

V

F

I

L

S

T

C

P

P

H

H

L

L

G

G

S

A

A

S

V

T

D

K

E

E

I

A

R

Q

H

S

D

R

I

C

S

G

F

E

E

E

A

I

A

A

K

V

N

Q

I

F

V

V

Q

D

V

M

L

V

binding ~{N}-[(1~{R})-1-[4-(ethanoylsulfamoyl)phenyl]ethyl]-2-methyl-5-phenyl-pyrazole-3-carboxamide: G146 (= G156), I148 (≠ L158), Y166 (≠ S176), D167 (= D177), P168 (≠ S178), I169 (= I179), I170 (≠ L181), H198 (≠ M209), T199 (≠ V210), L208 (= L219), R228 (= R239)

7ewhA Crystal structure of human phgdh in complex with homoharringtonine (see paper)
30% identity, 92% coverage: 17:319/331 of query aligns to 6:302/302 of 7ewhA

query
sites
7ewhA

V

I

I

S

D

D

Y

S

L

L

S

D

K

P

T

C

C

C

E

R

V

K

I

I

L

L

N

Q

Q

D

-

G

-

L

-

Q

-

V

T

E

Q

K

Y

Q

T

N

L

L

S

S

R

K

E

E

I

L

I

I

N

A

R

E

T

L

K

Q

E

D

A

C

E

E

G

G

L

L

M

I

V

V

F

R

M

S

P

A

D

T

F

K

I

V

E

T

S

A

S

D

F

V

L

I

D

N

A

A

C

A

P

E

Q

K

L

L

K

Q

V

V

I

V

A

G

G

R

A

A

L

G

R

T

G

G

Y

V

D

D

N

N

F

V

D

D

I

L

D

E

A

A

C

A

T

T

K

R

R

K

G

G

I

I

W

L

F

V

T

M

I

N

V

T

P

P

D

N

L

G

L

N

A

S

A

L

P

S

T

A

A

A

E

E

L

L

T

T

V

C

G

G

L

M

L

I

L

M

G

C

L

L

A

A

R

R

R

Q

M

I

L

P

E

Q

G

A

D

T

R

A

L

S

I

M

R

K

D

D

G

G

Q

K

F

W

Q

E

G

-

W

-

K

R

P

K

K

K

L

F

Y

M

S

G

R

T

G

E

L

L

L

N

H

G

Q

K

N

T

L

L

G

G

I

I

V
x
L

G
|
G

M
x
L

G
|
G

K
x
R

L
x
I

G
|
G

K

R

A

E

L

V

A

A

Q

T

R

R

L

M

V

Q

G

S

F

F

N

G

M

M

N

K

L

T

F

I

Y

G

S

Y

D
|
D

S

P

I

I

P

-

L

I

S

S

V

P

E

E

Q

V

E

S

T

A

A

S

W

F

K

G

I

V

S

Q

R

Q

V

L

S

P

L

L

E

E

L

I

L

W

K

P

I

L

S

C

D

D

Y

F

V

I

V

T

L

V

M
x
H

V
x
T

P
|
P

L

L

I

L

P

P

D

S

T

T

Y

T

H

G

L

L

I

L

N

N

Q

D

D

N

T

T

L

F

A

A

K

Q

M

C

K

K

P

K

K

G

S

V

F

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

K

G

A

A

I

L

G

L

S

R

A

A

I

L

Q

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

M

E

E

E

D

-

R

-

A

-

I

-

P

P

H

P

R

R

P

D

Q

R

G

A

I

L

Y

V

N

D

T

-

L

-

I

-

T

-

E

-

K

H

N

E

K

N

T

V

F

I

L

S

T

C

P

P

H

H

L

L

G

G

S

A

A

S

V

T

D

K

E

E

I

A

R

Q

H

S

D

R

I

C

S

G

F

E

E

E

A

I

A

A

K

V

N

Q

I

F

V

V

Q

D

V

M

L

V

binding (3beta)-O~3~-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine: L146 (≠ V153), G147 (= G154), L148 (≠ M155), G149 (= G156), R150 (≠ K157), I151 (≠ L158), G152 (= G159), D170 (= D177), H201 (≠ M209), T202 (≠ V210), P203 (= P211)

7dkmA Phgdh covalently linked to oridonin (see paper)
30% identity, 92% coverage: 17:319/331 of query aligns to 7:303/306 of 7dkmA

query
sites
7dkmA

V

I

I

S

D

D

Y

S

L

L

S

D

K

P

T
x
C

C

C

E

R

V
x
K

I
|
I

L

L

N

Q

Q

D

-

G

-

L

-

Q

-

V

T

E

Q

K

Y

Q

T

N

L

L

S

S

R

K

E

E

I

L

I

I

N

A

R

E

T

L

K

Q

E

D

A

C

E

E

G

G

L

L

M

I

V

V

F

R

M

S

P

A

D

T

F

K

I

V

E

T

S

A

S

D

F

V

L

I

D

N

A

A

C

A

P

E

Q

K

L

L

K

Q

V

V

I

V

A

G

G

R

A

A

L

G

R
x
T

G

G

Y

V

D

D

N

N

F

V

D

D

I

L

D

E

A

A

C

A

T

T

K

R

R

K

G

G

I

I

W

L

F

V

T

M

I

N

V

T

P

P

D

N

L

G

L

N

A

S