SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_025272517.1 NCBI__GCF_000527155.1:WP_025272517.1 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)

5mh6A D-2-hydroxyacid dehydrogenases (d2-hdh) from haloferax mediterranei in complex with 2-ketohexanoic acid and NAD+ (1.35 a resolution)
37% identity, 75% coverage: 70:314/327 of query aligns to 59:305/306 of 5mh6A

query
sites
5mh6A

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binding 2-Ketohexanoic acid: R64 (≠ G75), A65 (= A76), G66 (= G77), H89 (≠ F100), R224 (= R233), H272 (= H281), Y280 (≠ W289)
binding magnesium ion: T130 (≠ R138), A132 (≠ E140), F210 (= F219), E211 (≠ A220), M213 (= M222), G225 (= G234), P226 (≠ E235), V228 (= V237), E230 (≠ T239), D241 (≠ E250), S251 (≠ D260)
binding nicotinamide-adenine-dinucleotide: A65 (= A76), G66 (= G77), T86 (≠ R97), H89 (≠ F100), G142 (= G150), T143 (≠ P151), L144 (≠ I152), R164 (= R172), P196 (= P205), T201 (= T210), V222 (= V231), A223 (≠ G232), R224 (= R233), H272 (= H281), S274 (= S283)

5mhaB D-2-hydroxyacid dehydrogenases (d2-hdh) from haloferax mediterranei in complex with a mixture of 2-ketohexanoic acid and 2-hydroxyhexanoic acid, and NADPH (1.57 a resolution)
37% identity, 75% coverage: 70:314/327 of query aligns to 61:307/308 of 5mhaB

query
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5mhaB

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binding 2-Ketohexanoic acid: R66 (≠ G75), R226 (= R233), H274 (= H281), Y282 (≠ W289)
binding (2R)-2-hydroxyhexanoic acid: R66 (≠ G75), A67 (= A76), G68 (= G77), H91 (≠ F100), Y282 (≠ W289)
binding magnesium ion: F212 (= F219), E213 (≠ A220), M215 (= M222), D243 (≠ E250)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: A67 (= A76), G68 (= G77), T88 (≠ R97), L143 (≠ T149), G144 (= G150), T145 (≠ P151), L146 (≠ I152), R165 (≠ G171), R166 (= R172), S167 (≠ T173), P180 (≠ S187), T197 (≠ A204), P198 (= P205), T203 (= T210), V224 (= V231), A225 (≠ G232), R226 (= R233), H274 (= H281), S276 (= S283)

5mhaA D-2-hydroxyacid dehydrogenases (d2-hdh) from haloferax mediterranei in complex with a mixture of 2-ketohexanoic acid and 2-hydroxyhexanoic acid, and NADPH (1.57 a resolution)
37% identity, 75% coverage: 70:314/327 of query aligns to 61:307/308 of 5mhaA

query
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5mhaA

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binding 2-Ketohexanoic acid: R66 (≠ G75), A67 (= A76), G68 (= G77), H91 (≠ F100), R226 (= R233), H274 (= H281), Y282 (≠ W289)
binding magnesium ion: T132 (≠ R138), A134 (≠ E140)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: A67 (= A76), G68 (= G77), T88 (≠ R97), L143 (≠ T149), G144 (= G150), T145 (≠ P151), L146 (≠ I152), R165 (≠ G171), R166 (= R172), S167 (≠ T173), P180 (≠ S187), T197 (≠ A204), P198 (= P205), T203 (= T210), V224 (= V231), A225 (≠ G232), R226 (= R233), H274 (= H281), S276 (= S283)

5mh5A D-2-hydroxyacid dehydrogenases (d2-hdh) from haloferax mediterranei in complex with 2-keto-hexanoic acid and NADP+ (1.4 a resolution)
37% identity, 75% coverage: 70:314/327 of query aligns to 61:307/308 of 5mh5A

query
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5mh5A

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binding 2-Ketohexanoic acid: R66 (≠ G75), A67 (= A76), G68 (= G77), H91 (≠ F100), R226 (= R233), H274 (= H281), Y282 (≠ W289)
binding magnesium ion: T132 (≠ R138), A134 (≠ E140), F212 (= F219), E213 (≠ A220), M215 (= M222), D243 (≠ E250)
binding nadp nicotinamide-adenine-dinucleotide phosphate: A67 (= A76), G68 (= G77), T88 (≠ R97), G142 (= G148), L143 (≠ T149), G144 (= G150), T145 (≠ P151), L146 (≠ I152), R165 (≠ G171), R166 (= R172), S167 (≠ T173), T197 (≠ A204), P198 (= P205), T203 (= T210), V224 (= V231), A225 (≠ G232), R226 (= R233), H274 (= H281), S276 (= S283)

5vg6B Crystal structure of d-isomer specific 2-hydroxyacid dehydrogenase from xanthobacter autotrophicus py2 in complex with NADPH and mes.
38% identity, 66% coverage: 104:320/327 of query aligns to 102:315/315 of 5vg6B

query
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5vg6B

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V

V

S

R

G

G

F
x
W

G
x
S

R
|
R

T
|
T

A

P

R
x
K

D

A

N

L

D

E

P

-

D

G

F

V

G

S

I

C

V

F

Y

H

P

G

S

L

S

E

T

A

L

L

T

P

T

G

H

F

L

L

P

A

D

G

A

S

D

E

F

I

V

V

A

V

I

M

A
x
L

P
|
P

L

L

T

T

E

P

Q

E

T
|
T

K

R

G

G

A

L

F

M

D

N

A

A

Q

E

A

R

F

L

A

A

A

H

M

L

K

P

T

R

S

G

A

A

R

K

F

F

I

I

N

N

V
|
V

G

A

R
|
R

G

G

E

P

L

V

V

V

V

D

T

E

S

A

D

A

L

L

I

I

A

A

L

L

R

R

A

S

N

G

E

H

I

I

A

A

G

E

A

A

A

T

L

L

D
|
D

V

V

F

F

D

E

T

V

E
|
E

P

P

L

L

P

P

A

V

D

G

N

S

P

P

L

L

W

W

Q

A

M

M

D

D

N

N

V

V

M

L

I

V

T

T

P

P

H
|
H

M

L

S
x
A

G
x
S

D

-

V

-

V

I

G

A

W

I

R

P

N

R

T

T

L

A

V

A

E

P

R

Q

F

I

I

V

E

E

N

N

Y

I

E

R

R

R

W

I

R

E

A

A

G

G

R

E

P

P

L

V

Q

L

N

N

I

Q

V

V

D

D

K

P

R

R

L

R

G

G

Y
|
Y

active site: R230 (= R233), D254 (= D257), E259 (= E262), H278 (= H281)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: M102 (≠ I104), L147 (≠ T149), G148 (= G150), D149 (≠ P151), L150 (≠ I152), W168 (≠ F170), S169 (≠ G171), R170 (= R172), T171 (= T173), K173 (≠ R175), L201 (≠ A204), P202 (= P205), T207 (= T210), V228 (= V231), R230 (= R233), H278 (= H281), A280 (≠ S283), S281 (≠ G284), Y315 (= Y320)

Sites not aligning to the query:

active site: 98
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: 74, 92

4z0pA Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase smc02828 (smghra) from sinorhizobium meliloti in complex with NADPH and oxalate (see paper)
30% identity, 87% coverage: 35:320/327 of query aligns to 16:316/316 of 4z0pA

query
sites
4z0pA

D

E

E

A

G

A

L

L

A

A

E

G

A

A

L

F

P

P

G

G

T

R

D

E

V

V

L

I

F

D

V

L

-

A

-

D

-

P

-

A

-

H

-

Q

-

E

-

R

-

D

-

L

-

S

-

G

-

I

-

D

Y

Y

D

A

F

V

L

V

S
x
W

E

K

A

S

L

A

P

P

G

D

A

L

W

F

H

S

A

R

A

A

D

P

R

D

L

L

S

K

W

V

V

V

H

F

I

S

A

G

G
|
G

A
|
A

G
|
G

V

V

D

D

P

H

V

V

I

L

-

T

F

L

P

P

G

G

I

L

Q

P

D

D

S

V

D

P

V

L

V

V

L
x
R

T

F

N

V

S

D

R

R

G

-

V

T

F
x
L

D

T

G

T

P

R

I
x
M

A

S

E

E

Y

W

V

V

L

M

G

M

V

Q

V

C

I

L

A

L

F

H

A

L

K

R

D

Q

F
x
H

A
x
R

R

A

S

Y

L

E

R

A

L

L

Q

A

D

K

E

K

T

H

R

E

W

W

L

R

H

D

R

L

E

S

T

Q

E

P

R

E

I

A

E

A

G

D

R

V

R

T

A

V

M

G

V

I

M

M

G

G

T
x
M

G
|
G

P
x
V

I
x
L

G

G

R

Q

A

D

T

A

A

A

R

R

I

K

L

L

R

A

A

A

A

M

G

G

M

F

Q

K

V

V

S

I

G

G

F
x
W

G
x
S

R
|
R

T
x
S

A

K

R
|
R

D

V

N

I

D

E

P

-

D

-

F

-

G

G

I

V

-

E

V

T

Y

Y

P

D

S

A

T

G

L

L

T

D

T

A

H

F

L

L

P

G

D

R

A

T

D

D

F

F

V

L

V

V

A

G

I

L

A
x
L

P
|
P

L

L

T

T

E

P

Q

D

T

T

K

R

G

G

A

I

F

F

D

N

A

A

Q

A

A

L

F

F

A

A

A

K

M

L

K

S

T

R

S

N

A

G

R

P

F

F

-

G

-

A

-

P

-

V

-

F

I

I

N

N

V
x
A

G
|
G

R
|
R

G

G

E

G

L

S

V

Q

V

V

T

E

S

A

D

D

L

I

I

L

A

E

A

C

L

L

R

D

A

S

N

G

E

V

I

L

A
x
G

G

G

A

A

A

S

L

L

D
|
D

V

V

F

F

D

E

T

R

E
|
E

P

P

L

L

P

S

A

P

D

E

N

S

P

R

L

F

W

W

Q

D

M

M

D

P

N

N

V

V

M

Y

I

V

T

T

P

P

H
|
H

M

V

-
x
A

S

S

G

S

D

D

V

V

V

-

G

-

W

-

R

-

N

R

T

A

L

L

V

F

E

V

R

H

F

V

I

E

E

H

N

Q

Y

I

E

A

R

R

W

F

R

E

A

S

G

G

R

L

P

P

L

L

Q

E

N

H

I

V

V

V

D

D

K

K

R

V

L

A

G

G

Y
|
Y

active site: L95 (≠ F100), R231 (= R233), G250 (≠ A252), D255 (= D257), E260 (= E262), H279 (= H281)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: R89 (≠ L93), M99 (≠ I104), M144 (≠ T149), G145 (= G150), V146 (≠ P151), L147 (≠ I152), W165 (≠ F170), S166 (≠ G171), R167 (= R172), S168 (≠ T173), R170 (= R175), L197 (≠ A204), P198 (= P205), A229 (≠ V231), G230 (= G232), R231 (= R233), H279 (= H281), A281 (vs. gap), A282 (vs. gap), Y316 (= Y320)
binding oxalic acid: W50 (≠ S55), G70 (= G75), A71 (= A76), G72 (= G77), H114 (≠ F119), R115 (≠ A120), R231 (= R233), H279 (= H281)

4weqA Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase smc02828 (smghra) from sinorhizobium meliloti in complex with NADP and sulfate (see paper)
30% identity, 87% coverage: 35:320/327 of query aligns to 16:316/316 of 4weqA

query
sites
4weqA

D

E

E

A

G

A

L

L

A

A

E

G

A

A

L

F

P

P

G

G

T

R

D

E

V

V

L

I

F

D

V

L

-

A

-

D

-

P

-

A

-

H

-

Q

-

E

-

R

-

D

-

L

-

S

-

G

-

I

-

D

Y

Y

D

A

F

V

L

V

S

W

E

K

A

S

L

A

P

P

G

D

A

L

W

F

H

S

A

R

A

A

D

P

R

D

L

L

S

K

W

V

V

V

H

F

I

S

A

G

G

G

A

A

G

G

V

V

D

D

P

H

V

V

I

L

-

T

F

L

P

P

G

G

I

L

Q

P

D

D

S

V

D

P

V

L

V

V

L
x
R

T

F

N

V

S

D

R

R

G

-

V

T

F
x
L

D

T

G

T

P

R

I
x
M

A

S

E

E

Y

W

V

V

L

M

G

M

V

Q

V

C

I

L

A

L

F

H

A

L

K

R

D

Q

F

H

A

R

R

A

S

Y

L

E

R

A

L

L

Q

A

D

K

E

K

T

H

R

E

W

W

L

R

H

D

R

L

E

S

T

Q

E

P

R

E

I

A

E

A

G

D

R

V

R

T

A

V

M

G

V

I

M

M

G

G

T
x
M

G
|
G

P
x
V

I
x
L

G

G

R

Q

A

D

T

A

A

A

R

R

I

K

L

L

R

A

A

A

A

M

G

G

M

F

Q

K

V

V

S

I

G

G

F
x
W

G
x
S

R
|
R

T
x
S

A

K

R
|
R

D

V

N

I

D

E

P

-

D

-

F

-

G

G

I

V

-

E

V

T

Y

Y

P

D

S

A

T

G

L

L

T

D

T

A

H

F

L

L

P

G

D

R

A

T

D

D

F

F

V

L

V

V

A

G

I

L

A
x
L

P
|
P

L

L

T

T

E

P

Q

D

T

T

K

R

G

G

A

I

F

F

D

N

A

A

Q

A

A

L

F

F

A

A

A

K

M

L

K

S

T

R

S

N

A

G

R

P

F

F

-

G

-

A

-

P

-

V

-

F

I

I

N

N

V
x
A

G
|
G

R
|
R

G

G

E

G

L

S

V

Q

V

V

T

E

S

A

D

D

L

I

I

L

A

E

A

C

L

L

R

D

A

S

N

G

E

V

I

L

A
x
G

G

G

A

A

A

S

L

L

D
|
D

V

V

F

F

D

E

T

R

E
|
E

P

P

L

L

P

S

A

P

D

E

N

S

P

R

L

F

W

W

Q

D

M

M

D

P

N

N

V

V

M

Y

I

V

T

T

P

P

H
|
H

M

V

-
x
A

-

A

S

S

G

S

D

D

V

V

V

-

G

-

W

-

R

-

N

R

T

A

L

L

V

F

E

V

R

H

F

V

I

E

E

H

N

Q

Y

I

E

A

R

R

W

F

R

E

A

S

G

G

R

L

P

P

L

L

Q

E

N

H

I

V

V

V

D

D

K

K

R

V

L

A

G

G

Y
|
Y

active site: L95 (≠ F100), R231 (= R233), G250 (≠ A252), D255 (= D257), E260 (= E262), H279 (= H281)
binding nadp nicotinamide-adenine-dinucleotide phosphate: R89 (≠ L93), M99 (≠ I104), M144 (≠ T149), G145 (= G150), V146 (≠ P151), L147 (≠ I152), W165 (≠ F170), S166 (≠ G171), R167 (= R172), S168 (≠ T173), R170 (= R175), L197 (≠ A204), P198 (= P205), A229 (≠ V231), G230 (= G232), R231 (= R233), D255 (= D257), H279 (= H281), A281 (vs. gap), Y316 (= Y320)

5tsdA Crystal structure of NADPH-dependent 2-hydroxyacid dehydrogenase from rhizobium etli cfn 42 in complex with NADPH and oxalate
34% identity, 54% coverage: 146:320/327 of query aligns to 141:316/316 of 5tsdA

query
sites
5tsdA

V

V

M

M

G
|
G

T
x
L

G
|
G

P
x
I

I
x
L

G

G

R

Q

A

D

T

A

A

V

R

A

I

K

L

L

R

K

A

V

A

M

G

G

M

F

Q

N

V

V

S

I

G

G

F
x
W

G
x
S

R
|
R

T
|
T

A

R

R
x
K

D

T

N

I

D

E

P

-

D

-

F

-

G

G

I

V

-

E

V

T

Y

F

P

D

S

A

S

G

T

E

L

L

T

D

T

R

H

F

L

L

P

A

D

K

A

T

D

D

F

I

V

L

V

V

A

G

I

L

A
x
L

P
|
P

L

L

T

T

E

P

Q

E

T

T

K

T

G

G

A

F

F

Y

D

D

A

S

Q

E

A

L

F

F

A

K

M

L

K

R

T

R

S

D

A

G

R

A

-

L

-

G

-

Q

-

P

-

V

F

F

I

I

N

N

V
x
A

G
|
G

R
|
R

G

G

E

K

L

S

V

Q

V

I

T

E

S

T

D

D

L

I

I

V

A

S

A

A

L

V

R

R

A

E

N

G

E

T

I

L

A

G

G

G

A

A

A

S

L

L

D
|
D

V

V

F

F

D

E

T

V

E
|
E

P

P

L

L

P

A

A

T

D

D

N

S

P

P

L

L

W

W

Q

E

M

L

D

E

N

N

V

V

M

F

I

I

T

T

P

P

H
|
H

M

D

S

A

G

A

D

-

V

-

V

V

G

S

W

E

R

E

N

N

T

A

L

L

V

F

E

R

R

H

F

V

I

E

E

M

N

Q

Y

I

E

A

R

R

W

F

R

E

A

R

G

G

R

E

P

P

L

L

Q

Q

N

F

I

V

V

I

D

D

K

R

R

A

L

A

G

G

Y
|
Y

active site: E260 (= E262), H279 (= H281)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G143 (= G148), L144 (≠ T149), G145 (= G150), I146 (≠ P151), L147 (≠ I152), W165 (≠ F170), S166 (≠ G171), R167 (= R172), T168 (= T173), K170 (≠ R175), L197 (≠ A204), P198 (= P205), A229 (≠ V231), G230 (= G232), R231 (= R233), D255 (= D257), H279 (= H281), Y316 (= Y320)
binding oxalic acid: R231 (= R233), H279 (= H281)

Sites not aligning to the query:

5bqfA Probable 2-hydroxyacid dehydrogenase from rhizobium etli cfn 42 in complex with NADP, hepes and l(+)-tartaric acid
34% identity, 54% coverage: 146:320/327 of query aligns to 142:317/317 of 5bqfA

query
sites
5bqfA

V

V

M

M

G
|
G

T
x
L

G
|
G

P
x
I

I
x
L

G

G

R

Q

A

D

T

A

A

V

R

A

I

K

L

L

R

K

A

V

A

M

G

G

M

F

Q

N

V

V

S

I

G

G

F
x
W

G
x
S

R
|
R

T
|
T

A

R

R

K

D

T

N

I

D

E

P

-

D

-

F

-

G

G

I

V

-

E

V

T

Y

F

P

D

S

A

S

G

T

E

L

L

T

D

T

R

H

F

L

L

P

A

D

K

A

T

D

D

F

I

V

L

V

V

A

G

I

L

A
x
L

P
|
P

L

L

T

T

E

P

Q

E

T

T

K

T

G

G

A

F

F

Y

D

D

A

S

Q

E

A

L

F

F

A

K

M

L

K

R

T

R

S

D

A

G

R

A

-

L

-

G

-

Q

-

P

-

V

F

F

I

I

N

N

V
x
A

G
|
G

R
|
R

G

G

E

K

L

S

V

Q

V

I

T

E

S

T

D

D

L

I

I

V

A

S

A

A

L

V

R

R

A

E

N

G

E

T

I

L

A

G

G

G

A

A

A

S

L

L

D

D

V

V

F

F

D

E

T

V

E
|
E

P

P

L

L

P

A

A

T

D

D

N

S

P

P

L

L

W

W

Q

E

M

L

D

E

N

N

V

V

M

F

I

I

T

T

P

P

H
|
H

M

D

S

A

G
x
A

D

-

V

-

V

V

G

S

W

E

R

E

N

N

T

A

L

L

V

F

E

R

R

H

F

V

I

E

E

M

N

Q

Y

I

E

A

R

R

W

F

R

E

A

R

G

G

R

E

P

P

L

L

Q

Q

N

F

I

V

V

I

D

D

K

R

R

A

L

A

G

G

Y
|
Y

active site: E261 (= E262), H280 (= H281)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G144 (= G148), L145 (≠ T149), G146 (= G150), I147 (≠ P151), L148 (≠ I152), W166 (≠ F170), S167 (≠ G171), R168 (= R172), T169 (= T173), L198 (≠ A204), P199 (= P205), A230 (≠ V231), G231 (= G232), R232 (= R233), H280 (= H281), A283 (≠ G284), Y317 (= Y320)

Sites not aligning to the query:

binding nadp nicotinamide-adenine-dinucleotide phosphate: 72, 90, 100

4xcvA Probable 2-hydroxyacid dehydrogenase from rhizobium etli cfn 42 in complex with NADPH
34% identity, 54% coverage: 146:320/327 of query aligns to 142:317/317 of 4xcvA

query
sites
4xcvA

V

V

M

M

G
|
G

T
x
L

G
|
G

P
x
I

I
x
L

G

G

R

Q

A

D

T

A

A

V

R

A

I

K

L

L

R

K

A

V

A

M

G

G

M

F

Q

N

V

V

S

I

G

G

F
x
W

G
x
S

R
|
R

T
|
T

A

R

R
x
K

D

T

N

I

D

E

P

-

D

-

F

-

G

G

I

V

-

E

V

T

Y

F

P

D

S

A

S

G

T

E

L

L

T

D

T

R

H

F

L

L

P

A

D

K

A

T

D

D

F

I

V

L

V

V

A

G

I

L

A
x
L

P
|
P

L

L

T

T

E

P

Q

E

T

T

K

T

G

G

A

F

F

Y

D

D

A

S

Q

E

A

L

F

F

A

K

M

L

K

R

T

R

S

D

A

G

R

A

-

L

-

G

-

Q

-

P

-

V

F

F

I

I

N

N

V
x
A

G
|
G

R
|
R

G

G

E

K

L

S

V

Q

V

I

T

E

S

T

D

D

L

I

I

V

A

S

A

A

L

V

R

R

A

E

N

G

E

T

I

L

A

G

G

G

A

A

A

S

L

L

D

D

V

V

F

F

D

E

T

V

E
|
E

P

P

L

L

P

A

A

T

D

D

N

S

P

P

L

L

W

W

Q

E

M

L

D

E

N

N

V

V

M

F

I

I

T

T

P

P

H
|
H

M

D

S

A

G
x
A

D

-

V

-

V

V

G

S

W

E

R

E

N

N

T

A

L

L

V

F

E

R

R

H

F

V

I

E

E

M

N

Q

Y

I

E

A

R

R

W

F

R

E

A

R

G

G

R

E

P

P

L

L

Q

Q

N

F

I

V

V

I

D

D

K

R

R

A

L

A

G

G

Y
|
Y

active site: E261 (= E262), H280 (= H281)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G144 (= G148), L145 (≠ T149), G146 (= G150), I147 (≠ P151), L148 (≠ I152), W166 (≠ F170), S167 (≠ G171), R168 (= R172), T169 (= T173), K171 (≠ R175), L198 (≠ A204), P199 (= P205), A230 (≠ V231), G231 (= G232), R232 (= R233), H280 (= H281), A283 (≠ G284), Y317 (= Y320)

Sites not aligning to the query:

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: 72, 90, 100

1wwkA Crystal structure of phosphoglycerate dehydrogenase from pyrococcus horikoshii ot3
29% identity, 78% coverage: 32:287/327 of query aligns to 29:284/304 of 1wwkA

query
sites
1wwkA

Y

Y

T

P

D

D

D

E

E

D

G

R

L

L

A

V

E

E

A

L

L

V

P

K

G

D

T

V

D

E

V

A

L

I

F

I

V

V

Y

R

D

S

F

K

L

-

S

P

E

K

A

V

L

T

P

R

G

R

A

V

W

I

H

E

A

S

A

A

D

P

R

K

L

L

S

K

W

V

V

I

H

A

I

R

A

A

G

G

A

V

G

G

V

L

D

D

P

N

V

I

I

D

F

V

P

E

G

A

I

A

Q

K

D

E

S

K

D

G

V

I

V

E

L

V

T

V

N

N

S

A

R

P

G

A

V

A

F
x
S

D

S

G

R

P

S

I
x
V

A

A

E

E

Y

L

V

A

L

V

G

G

V

L

V

M

I

F

A

S

F

V

A

A

K

R

D

K

F

I

A

A

R

F

S

A

L

D

R

R

L

K

Q

M

D

R

E

E

T

G

R

V

W

W

L

A

H

K

R

K

E

E

T

A

E

M

-

G

-

I

R

E

I

L

E

E

G

G

R

K

R

T

A

I

M

G

V

I

M

I

G
|
G

T
x
F

G
|
G

P
x
R

I
|
I

G

G

R

Y

A

Q

T

V

A

A

R

K

I

I

L

A

R

N

A

A

A

L

G

G

M

M

Q

N

V

I

S

L

G

L

F
x
Y

G

-

R

-

T

-

A

-

R

-

D

-

N

-

D
|
D

P
|
P

D

-

F

-

G

-

I

-

V

-

Y

Y

P

P

S

N

S

E

T

E

-

R

-

A

-

K

-

E

-

V

-

N

-

G

-

K

-

F

-

V

-

D

L

L

T

E

T

T

H

L

L

L

P

K

D

E

A

S

D

D

F

V

V

V

V

T

A

I

I

H

A
x
V

P
|
P

L

L

T

V

E

E

Q

S

T
|
T

K

Y

G

H

A

L

F

I

D

N

A

E

Q

E

A

R

F

L

A

K

A

L

M

M

K

K

T

K

S

T

A

A

R

I

F

L

I

I

N

N

V
x
T

G
x
S

R
|
R

G

G

E

P

L

V

V

V

V

D

T

T

S

N

D

A

L

L

I

V

A

K

A

A

L

L

R

K

A

E

N

G

E

W

I

I

A

A

G

G

A

A

A

G

L

L

D
|
D

V

V

F

F

D

E

T

E

E
|
E

P

P

L

L

P

P

A

K

D

D

N

H

P

P

L

L

W

T

Q

K

M

F

D

D

N

N

V

V

M

V

I

L

T

T

P

P

H
|
H

M

I

S
x
G

G

A

D

S

V

T

V

V

active site: S96 (≠ F100), R230 (= R233), D254 (= D257), E259 (= E262), H278 (= H281)
binding nicotinamide-adenine-dinucleotide: V100 (≠ I104), G146 (= G148), F147 (≠ T149), G148 (= G150), R149 (≠ P151), I150 (= I152), Y168 (≠ F170), D169 (= D178), P170 (= P179), V201 (≠ A204), P202 (= P205), T207 (= T210), T228 (≠ V231), S229 (≠ G232), D254 (= D257), H278 (= H281), G280 (≠ S283)

5aovA Ternary crystal structure of pyrococcus furiosus glyoxylate hydroxypyruvate reductase in presence of glyoxylate (see paper)
27% identity, 87% coverage: 36:318/327 of query aligns to 37:325/334 of 5aovA

query
sites
5aovA

E

E

G

K

L

L

A

L

E

E

A

K

L

V

P

K

G

D

T

V

D

D

V

A

L

L

F

V

V

T

Y

-

D

-

F
x
M

L
|
L

S

S

E

E

A

R

L

I

-

D

P

Q

G

E

A

V

W

F

H

E

A

N

A

A

D

P

R

R

L

L

S

R

W

I

V

V

H

A

I

N

A
x
Y

G
x
A

A
x
V

G
|
G

V

Y

D

D

P

N

V

I

I

D

F

V

P

E

G

E

I

A

Q

T

D

R

S

R

D

G

V

I

V

Y

L

V

T

T

N

N

S

T

R

P

G

D

V

V

F
x
L

D

T

G

N

P

A

I
x
T

A

A

E

D

Y

H

V

A

L

F

G

A

V

L

I

L

A

A

F

T

A

A

K

R

D

H

F

V

A

V

R

K

S

G

L

D

R

K

L

F

Q

V

D

R

E

S

T

G

R

E

W

W

L

K

H

R

R

K

E

G

T

I

E

A

-

W

-

H

-

P

-

K

-

W

-

F

-

L

-

G

-

Y

R

E

I

L

E

Y

G

G

R

K

R

T

A

I

M

G

V

I

M

V

G

G

T
x
F

G
|
G

P
x
R

I
|
I

G

G

R

Q

A

A

T

I

A

A

R

R

I

R

L

A

R

K

A

G

A

F

G

N

M

M

Q

R

V

I

S

L

G

Y

F

Y

G
x
S

R
|
R

T

T

A

R

R

K

D

S

N

Q

-

A

D

E

P

K

D

E

F

L

G

G

I

A

V

E

Y

Y

P

-

S

-

S

R

T

P

L

L

T

E

H

V

L

L

P

K

D

E

A

S

D

D

F

F

V

V

V

I

A

L

I
x
A

A
x
V

P
|
P

L

L

T

T

E

K

Q

E

T
|
T

K

M

G

Y

A

M

F

I

D

N

A

E

Q

E

A

R

F

L

A

K

A

L

M

M

K

K

T

P

S

T

A

A

R

I

F

L

I

V

N

N

V
x
I

G
x
A

R
|
R

G

G

E

K

L

V

V

V

V

D

T

T

S

K

D

A

L

L

I

I

A

K

A

A

L

L

R

K

A

E

N

G

E

W

I

I

A

A

G

G

A

A

A

G

L

L

D
|
D

V

V

F

F

D

E

T

E

E
|
E

P

P

L

Y

P

-

A

Y

D

N

N

E

P

E

L

L

W

F

Q

S

M

L

D

D

N

N

V

V

M

V

I

L

T

T

P

P

H
|
H

M

I

S
x
G

G

S

D

A

V

T

V

F

G

E

W

A

R

R

N

E

T

A

L

M

V

A

E

E

R

L

F

V

I

A

E

R

N

N

Y

L

E

I

R

A

W

F

R

K

A

R

G

G

R

E

P

I

L

P

Q

P

N

T

I

L

V

V

D

N

K

K

R

E

L

V

active site: L100 (≠ F100), R241 (= R233), D265 (= D257), E270 (= E262), H288 (= H281)
binding glyoxylic acid: M52 (≠ F53), L53 (= L54), L53 (= L54), Y74 (≠ A74), A75 (≠ G75), V76 (≠ A76), G77 (= G77), R241 (= R233), H288 (= H281)
binding nadp nicotinamide-adenine-dinucleotide phosphate: V76 (≠ A76), T104 (≠ I104), F158 (≠ T149), G159 (= G150), R160 (≠ P151), I161 (= I152), S180 (≠ G171), R181 (= R172), A211 (≠ I203), V212 (≠ A204), P213 (= P205), T218 (= T210), I239 (≠ V231), A240 (≠ G232), R241 (= R233), H288 (= H281), G290 (≠ S283)

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)
26% identity, 78% coverage: 63:317/327 of query aligns to 65:319/533 of O43175

query
sites
O43175

H

N

A

A

D

E

R

K

L

L

S

Q

W

V

V

V

H

G

I

R

A

A

G

G

A
x
T

G

G

V

V

D

D

P

N

V

V

I

D

F

L

P

E

G

A

I

A

Q

T

D

R

S

K

D

G

V

I

V

L

L

V

T

M

N

N

S

T

R

P

G

N

V

G

F

N

D

S

G

L

P

S

I

A

A

A

E

E

Y

L

V

T

L

C

G

G

V

M

V

I

I

M

A

C

F

L

A

A

K

R

D

Q

F

I

A

P

R

Q

S

A

L

T

R

A

L

S

Q

M

D

K

E

D

T

G

R

K

W

W

L

E

H
x
R

R

K

E

K

-

F

-

M

T

G

E

T

R

E

I

L

E

N

G

G

R

K

R

T

A

L

M

G

V

I

M

L

G

G

T

L

G

G

P
x
R

I
|
I

G

G

R

R

A

E

T

V

A

A

R

T

I

R

L

M

R

Q

A

S

A

F

G

G

M

M

Q

K

V

T

S

I

G

G

F

Y

G
x
D

R

P

T

I

-

I

A

S

R

P

D

E

N

V

D

S

P

A

D

S

F

F

G

G

I

V

V

-

Y

-

P

Q

S

Q

S

L

T

P

L

L

T

E

H

I

L

W

P

P

D

L

A

C

D

D

F

F

V

I

V

T

A

V

I

H

A
x
T

P

P

L

L

T

L

E

P

Q

S

T

T

K

T

G

G

A

L

F

L

D

N

A

D

Q

N

A

T

F

F

A

A

A

Q

M

C

K

K

T

K

S

G

A

V

R

R

F

V

I

V

N

N

V
x
C

G
x
A

R
|
R

G

G

E

G

L

I

V

V

V

D

T

E

S

G

D

A

L

L

I

L

A

R

A

A

L

L

R

Q

A

S

N

G

E

Q

I

C

A

A

G

G

A

A

L

L

D
|
D

V
|
V

F

F

D

T

T

E

E

E

P

P

L

-

P

P

A

R

D

D

N

R

P

A

L

L

W

V

Q

D

M

H

D

E

N

N

V

V

M

I

I

S

T

C

P

P

H
|
H

M
x
L

S
x
G

G
x
A

D

S

V

T

V

K

G

E

W

A

R

Q

N

S

T

R

L

C

V

G

E

E

R

E

F

I

I

A

E

V

N

Q

Y

F

E

V

R

D

W

M

R

V

A

K

G

G

R

K

P

S

L

L

Q

T

N

G

I

V

V

V

D

N

K

A

R

Q

T78 (≠ A76) binding NAD(+)
R135 (≠ H133) 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 (≠ PI 151:152) binding NAD(+)
D175 (≠ G171) binding NAD(+)
T207 (≠ A204) binding NAD(+)
CAR 234:236 (≠ VGR 231:233) binding NAD(+)
D260 (= D257) binding NAD(+)
V261 (= V258) 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 (≠ HMSG 281:284) 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

3bazA Structure of hydroxyphenylpyruvate reductase from coleus blumei in complex with NADP+ (see paper)
26% identity, 76% coverage: 64:310/327 of query aligns to 62:306/311 of 3bazA

query
sites
3bazA

A

A

A

L

D

P

R

K

L

L

S

E

W

I

V

V

H

S

I

S

A

F

G

S

A
x
V

G

G

V

L

D

D

P

K

V

V

I

D

F

L

P

I

G

K

I

C

Q

E

D

E

S

K

D

G

V

V

V

R

L

V

T

T

N

N

S

T

R

P

G

D

V

V

F
x
L

D

T

G

D

P

D

I

V

A

A

E

D

Y

L

V

A

L

I

G

G

V

L

V

I

I

L

A

A

F

V

A

L

K

R

D

R

F

I

A

C

R

E

S

C

L

D

R

K

L

Y

Q

V

D

R

E

R

T

G

R

A

W

W

L

K

H

F

-

G

-

D

-

F

R

K

E

L

T

T

E

T

R

K

I

F

E

S

G

G

R

K

R

R

A

V

M

G

V

I

M

I

G
|
G

T
x
L

G
|
G

P
x
R

I
|
I

G

G

R

L

A

A

T

V

A

A

R

E

I

R

L

A

R

E

A

A

A

F

G

D

M

C

Q

P

V

I

S

S

G

Y

F

F

G
x
S

R
|
R

T
x
S

A

K

R

K

D

-

N

-

D

-

P

P

D

N

F

T

G

N

I

Y

V

T

Y

Y

P

Y

S

G

S

S

T

V

L

V

T

E

T

L

H

A

L

-

P

S

D

N

A

S

D

D

F

I

V

L

V

V

A

V

I

A

A
x
C

P
|
P

L

L

T

T

E

P

Q

E

T
|
T

K

T

G

H

A

I

F

I

D

N

A

R

Q

E

A

V

F

I

A

D

A

A

M

L

K

G

T

P

S

K

A

G

R

V

F

L

I

I

N

N

V
x
I

G
|
G

R
|
R

G

G

E

P

L

H

V

V

V

D

T

E

S

P

D

E

L

L

I

V

A

S

A

A

L

L

R

V

A

E

N

G

E

R

I

L

A

G

G

G

A
|
A

A

G

L

L

D
|
D

V

V

F

F

D

E

T

R

E
|
E

P

P

L

-

P

E

A

V

D

P

N

E

P

K

L

L

W

F

Q

G

M

L

D

E

N

N

V

V

M

V

I

L

T

L

P

P

H
|
H

M

V

S
x
G

G

S

D

G

V

T

V

V

G

E

W

T

R

R

N

K

T

V

L

M

V

A

E

D

R

L

F

V

I

V

E

G

N

N

Y

L

E

E

R

A

W

H

R

F

A

S

G

G

R

K

P

P

L

L

active site: L98 (≠ F100), R230 (= R233), A251 (= A254), D254 (= D257), E259 (= E262), H277 (= H281)
binding nadp nicotinamide-adenine-dinucleotide phosphate: V74 (≠ A76), G149 (= G148), L150 (≠ T149), G151 (= G150), R152 (≠ P151), I153 (= I152), S172 (≠ G171), R173 (= R172), S174 (≠ T173), C201 (≠ A204), P202 (= P205), T207 (= T210), I228 (≠ V231), G229 (= G232), R230 (= R233), D254 (= D257), H277 (= H281), G279 (≠ S283)

Q65CJ7 Hydroxyphenylpyruvate reductase; HPPR; EC 1.1.1.237 from Plectranthus scutellarioides (Coleus) (Solenostemon scutellarioides) (see paper)
26% identity, 76% coverage: 64:310/327 of query aligns to 64:308/313 of Q65CJ7

query
sites
Q65CJ7

A

A

A

L

D

P

R

K

L

L

S

E

W

I

V

V

H

S

I

S

A

F

G

S

A

V

G

G

V

L

D

D

P

K

V

V

I

D

F

L

P

I

G

K

I

C

Q

E

D

E

S

K

D

G

V

V

V

R

L

V

T

T

N

N

S

T

R

P

G

D

V

V

F

L

D

T

G

D

P

D

I

V

A

A

E

D

Y

L

V

A

L

I

G

G

V

L

V

I

I

L

A

A

F

V

A

L

K

R

D

R

F

I

A

C

R

E

S

C

L

D

R

K

L

Y

Q

V

D

R

E

R

T

G

R

A

W

W

L

K

H

F

-

G

-

D

-

F

R

K

E

L

T

T

E

T

R

K

I

F

E

S

G

G

R

K

R

R

A

V

M

G

V

I

M

I

G

G

T
x
L

G
|
G

P
x
R

I
|
I

G

G

R

L

A

A

T

V

A

A

R

E

I

R

L

A

R

E

A

A

A

F

G

D

M

C

Q

P

V

I

S

S

G

Y

F

F

G
x
S

R
|
R

T
x
S

A

K

R

K

D

-

N

-

D

-

P

P

D

N

F

T

G

N

I

Y

V

T

Y

Y

P

Y

S

G

S

S

T

V

L

V

T

E

T

L

H

A

L

-

P

S

D

N

A

S

D

D

F

I

V

L

V

V

A

V

I

A

A

C

P

P

L

L

T

T

E

P

Q

E

T

T

K

T

G

H

A

I

F

I

D

N

A

R

Q

E

A

V

F

I

A

D

A

A

M

L

K

G

T

P

S

K

A

G

R

V

F

L

I

I

N

N

V
x
I

G

G

R

R

G

G

E

P

L

H

V

V

V

D

T

E

S

P

D

E

L

L

I

V

A

S

A

A

L

L

R

V

A

E

N

G

E

R

I

L

A

G

G

G

A

A

A

G

L

L

D
|
D

V

V

F

F

D

E

T

R

E

E

P

P

L

-

P

E

A

V

D

P

N

E

P

K

L

L

W

F

Q

G

M

L

D

E

N

N

V

V

M

V

I

L

T

L

P

P

H

H

M

V

S

G

G

S

D

G

V

T

V

V

G

E

W

T

R

R

N

K

T

V

L

M

V

A

E

D

R

L

F

V

I

V

E

G

N

N

Y

L

E

E

R

A

W

H

R

F

A

S

G

G

R

K

P

P

L

L

LGRI 152:155 (≠ TGPI 149:152) binding NADP(+)
SRS 174:176 (≠ GRT 171:173) binding NADP(+)
I230 (≠ V231) binding NADP(+)
D256 (= D257) binding NADP(+)

6rj3A Crystal structure of phgdh in complex with compound 15 (see paper)
29% identity, 67% coverage: 63:282/327 of query aligns to 59:278/297 of 6rj3A

query
sites
6rj3A

H

N

A

A

D

E

R

K

L

L

S

Q

W

V

V

V

H

G

I

R

A

A

G

G

A

T

G

G

V

V

D

D

P

N

V

V

I

D

F

L

P

E

G

A

I

A

Q

T

D

R

S

K

D

G

V

I

V

L

L

V

T

M

N

N

S

T

R

P

G

N

V

G

F

N

D

S

G

L

P

S

I

A

A

A

E

E

Y

L

V

T

L

C

G

G

V

M

V

I

I

M

A

C

F

L

A

A

K

R

D

Q

F

I

A

P

R

Q

S

A

L

T

R

A

L

S

Q

M

D

K

E

D

T

G

R

K

W

W

L

E

H

R

R

K

E

K

-

F

-

M

-

G

T

T

E

E

R

-

I

L

E

N

G

G

R

K

R

T

A

L

M

G

V

I

M
x
L

G

G

T

L

G

G

P

R

I

I

G

G

R

R

A

E

T

V

A

A

R

T

I

R

L

M

R

Q

A

S

A

F

G

G

M

M

Q

K

V

T

S

I

G

G

F
x
Y

G

-

R

-

T

-

A

-

R

-

D

-

N

-

D
|
D

P
|
P

D
x
I

F
x
I

G

S

I

P

V

E

Y

V

P

S

S

A

S

S

T

F

L

G

T

V

T

Q

H

Q

L

L

P

P

D

L

-

E

-

I

-

W

-

P

-

L

A

C

D

D

F

F

V

I

V

T

A

V

I
x
H

A
x
T

P
|
P

L

L

T

L

E

P

Q

S

T

T

K

T

G

G

A
x
L

F

L

D

N

A

D

Q

N

A

T

F

F

A

A

A

Q

M

C

K

K

T

K

S

G

A

V

R

R

F

V

I

V

N

N

V

C

G

A

R

R

G

G

E

G

L

I

V

V

V

D

T

E

S

G

D

A

L

L

I

L

A

R

A

A

L

L

R

Q

A

S

N

G

E

Q

I

C

A

A

G

G

A

A

L

L

D

D

V

V

F

F

D

T

T

E

E

E

P

P

L

-

P

P

A

R

D

D

N

R

P

A

L

L

W

V

Q

D

M

H

D

E

N

N

V

V

M

I

I

S

T

C

P

P

H

H

M

L

binding 4-[(1~{R})-1-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]ethyl]benzoic acid: L145 (≠ M147), Y168 (≠ F170), D169 (= D178), P170 (= P179), I171 (≠ D180), I172 (≠ F181), H200 (≠ I203), T201 (≠ A204), P202 (= P205), L210 (≠ A213)

6plfA Crystal structure of human phgdh complexed with compound 1 (see paper)
29% identity, 67% coverage: 63:282/327 of query aligns to 61:280/305 of 6plfA

query
sites
6plfA

H

N

A

A

D

E