SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing GFF2616 PGA1_c26570 putative glyoxylate/hydroxypyruvate reductase A 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)

5vg6B Crystal structure of d-isomer specific 2-hydroxyacid dehydrogenase from xanthobacter autotrophicus py2 in complex with NADPH and mes.
44% identity, 90% coverage: 32:308/308 of query aligns to 37:315/315 of 5vg6B

query
sites
5vg6B

D

D

L

G

R

H

L

V

D

E

H

G

T

D

P

P

D

E

E

E

V

V

D

R

Y

Y

-

A

V

L

V

V

Y

W

A

K

P

P

N

P

S

H

D

G

L

F

Q

-

D

-

F

F

T

A

P

R

Y

F

T

P

R

N

C

L

K

K

A

L

V

V

L

I

S

N

L

L

W

G

A
|
A

G

G

V

V

E

D

K

A

I

L

V

V

G

A

N

R

R

D

T

D

L

L

-

P

T

D

M

V

P

P

L

V

C

T

R
|
R

M

L

V

S

D

D

P

P

G

N

L
x
M

T

S

A

Q

G

M

M
|
M

V

A

E

S

W

F

V

V

T

L

G

F

H

C

V

V

L

L

R

R

Y

H

H

A

L

R

N

D

I

I

D

P

R

T

T

F

I

E

H

R

T

A

Q

Q

-

R

-

E

D

G

R

R

W

W

E

H

P

Y

V

V

V

H

P

P

P

R

L

T

A

A

E

A

E

E

R

I

P

R

V

V

T

G

V

V

L

L

G

G

L
|
L

G
|
G

A
x
D

L
|
L

G

G

Q

A

A

A

C

A

A

A

S

L

M

E

L

L

A

A

T

R

L

H

G

G

F

F

P

D

V

V

T

R

G

G

W
|
W

S
|
S

R
|
R

S
x
T

K

P

K
|
K

S

A

I

L

D

E

G

G

I

V

T

S

C

C

R

F

H

H

G

G

D

L

D

E

G

A

L

L

R

P

D

G

A

F

L

L

A

A

T

G

A

S

Q

E

I

I

V

V

I

V

L

V

L

M

L
|
L

P
|
P

D

L

T

T

H

P

A

E

T
|
T

E

R

N

G

T

L

L

M

N

N

S

A

D

E

T

R

L

L

A

A

L

H

L

L

P

P

K

R

G

G

A

A

R

K

I

F

I

I

N

N

P
x
V

G

A

R
|
R

G

G

P

P

L

V

I

V

D

D

D

E

D

A

A

A

L

L

L

I

A

A

L

L

D

R

S

S

G

G

Q

H

I

I

G

A

H

E

A

A

T

T

L

L

D
|
D

V

V

F

F

R

E

I

V

E
|
E

P

P

L

L

P

P

M

V

D

G

H

S

P

P

Y

L

W

W

A

A

H

M

P

D

R

N

V

V

T

L

V

V

T

T

P

P

H
|
H

I

L

A
|
A

A
x
S

E

I

T

A

R

I

P

P

L

R

T

T

A

A

R

P

V

Q

I

I

A

V

D

E

N

N

I

I

R

R

G

I

E

E

A

A

E

G

A

E

P

P

F

V

L

L

H

N

Q

Q

V

V

D

D

R

P

T

R

L

R

G

G

Y
|
Y

active site: M98 (≠ L93), R230 (= R223), D254 (= D247), E259 (= E252), H278 (= H271)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: A74 (= A70), R92 (= R87), M102 (= M97), L147 (= L140), G148 (= G141), D149 (≠ A142), L150 (= L143), W168 (= W161), S169 (= S162), R170 (= R163), T171 (≠ S164), K173 (= K166), L201 (= L194), P202 (= P195), T207 (= T200), V228 (≠ P221), R230 (= R223), H278 (= H271), A280 (= A273), S281 (≠ A274), Y315 (= Y308)

4zqbB Crystal structure of NADP-dependent dehydrogenase from rhodobactersphaeroides in complex with NADP and sulfate
43% identity, 87% coverage: 41:308/308 of query aligns to 47:316/316 of 4zqbB

query
sites
4zqbB

E

E

V

V

D

D

Y

I

V

A

V

I

Y

V

A

A

P

-

N

N

S

P

D

D

L

P

Q

A

D

D

F

L

T

A

P

E

Y

L

T

P

R

N

C

L

K

V

A

W

V

I

L

H

S

S

L

L

W

W

A

A

G

G

V

V

E

E

K

R

I

L

V

V

G

A

N

E

R

L

T

G

-

H

L

L

T

A

M

R

P

P

L

I

C

V

R
|
R

M

L

V

V

D

D

P

P

G

E

L
|
L

T

A

A

R

G

T

M
|
M

V

A

E

E

W

-

V

-

T

A

G

A

H

L

V

A

L

W

R

T

Y

Y

H

Y

L

L

N

F

I

R

D

D

R

M

T

P

I

A

H

Y

T

A

Q

A

D

Q

R

Q

W

R

E

A

P

R

V

V

V

W

P

K

P

G

L

L

A

P

E

Y

E

K

R

R

P

P

-

E

-

R

-

T

V

V

T

G

V

V

L

L

G
|
G

L
|
L

G
|
G

A
x
E

L
|
L

G

G

Q

A

A

A

C

A

A

A

S

L

M

R

L

L

A

R

T

D

L

A

G

G

F

F

P

D

V

V

T

H

G

G

W
|
W

S
|
S

R
|
R

S
|
S

K

P

K
|
K

S

E

I

I

D

A

G

G

I

V

T

T

C

C

R

H

H

A

G

G

D

E

G

T

L

L

R

E

D

R

A

M

L

L

A

G

T

Q

A

V

Q

E

I

I

V

L

I

V

L

C

L

L

L
|
L

P
|
P

D

L

T

T

H

G

A

E

T

T

E

R

N

G

T

L

L

L

N

D

S

A

D

R

T

R

L

L

A

A

L

C

L

L

P

P

K

E

G

G

A

A

R

Q

I

I

I

V

N

N

P
x
F

G

A

R
|
R

G

G

P

P

L

I

I

L

D

D

D

S

D

A

A

A

L

L

L

I

A

E

A

A

L

L

D

D

S

S

G

G

Q

R

I

I

G

G

H

H

A

A

T

V

L

L

D

D

V

V

F

F

R

E

I

V

E
|
E

P

P

L

L

P

P

M

E

D

A

H

S

P

P

Y

F

W

W

A

G

H

H

P

P

R

K

V

V

T

T

V

V

T

L

P

P

H
|
H

I

I

A
x
S

A
|
A

E

A

T

T

R

D

P

P

L

E

T

T

A

A

A

S

R

A

V

I

I

V

A

G

D

A

N

H

I

V

R

A

R

D

G

Y

E

R

A

A

E

T

A

G

P

R

F

I

L

P

H

P

Q

S

V

V

D

D

R

L

T

T

L

R

G

G

Y
|
Y

active site: L99 (= L93), R231 (= R223), E260 (= E252), H279 (= H271)
binding nadp nicotinamide-adenine-dinucleotide phosphate: R93 (= R87), M103 (= M97), G147 (= G139), L148 (= L140), G149 (= G141), E150 (≠ A142), L151 (= L143), W169 (= W161), S170 (= S162), R171 (= R163), S172 (= S164), K174 (= K166), L202 (= L194), P203 (= P195), F229 (≠ P221), R231 (= R223), H279 (= H271), S281 (≠ A273), A282 (= A274), Y316 (= Y308)

3kboA 2.14 angstrom crystal structure of putative oxidoreductase (ycdw) from salmonella typhimurium in complex with NADP
40% identity, 81% coverage: 61:308/308 of query aligns to 56:312/312 of 3kboA

query
sites
3kboA

R
|
R

C

L

K

K

A

A

V

V

L

F

S

V

L

L

W

G

A

A

G

G

V

V

E

D

K

A

I

I

V

L

G

S

N

K

R

L

T

N

L

A

-

H

-

P

-

E

-

M

-

L

-

D

-

A

T

S

M

I

P

P

L

L

C

F

R
|
R

M

L

V

E

D

D

P

T

G

G

L
x
M

T

G

A

L

G

Q

M
|
M

V

Q

E

E

W

Y

V

A

T

V

G

S

H

Q

V

V

L

L

R

H

Y

W

H

F

L

R

N

R

I

F

D

D

-

D

-

Y

R

Q

T

A

I

L

H

K

T

N

Q

Q

D

A

R

L

W

W

E

K

P

P

V

L

V

P

P

E

P

Y

L

T

A

R

E

E

R

F

P

S

V

V

T

G

V

I

L

M

G
|
G

L
x
A

G
|
G

A
x
V

L
|
L

G

G

Q

A

A

K

C

V

A

A

S

E

M

S

L

L

A

Q

T

A

L

W

G

G

F

F

P

P

V

L

T

R

G

C

W
|
W

S
|
S

R
|
R

S
|
S

K

R

K
|
K

S

S

I

W

D

P

G

G

I

V

T

E

C

S

R

Y

H

V

G

G

D

R

D

E

G

E

L

L

R

R

D

A

A

F

L

L

A

N

T

Q

A

T

Q

R

I

V

V

L

I

I

L

N

L
|
L

L

L

P
|
P

D

N

T

T

H

A

A

Q

T

T

E

V

N

G

T

I

L

I

N

N

S

S

D

E

T

L

L

L

A

D

L

Q

L

L

P

P

K

D

G

G

A

A

R

Y

I

V

I

L

N

N

P
x
L

G
x
A

R
|
R

G

G

P

V

L

H

I

V

D

Q

D

E

D

A

A

D

L

L

A

A

L

L

D

D

S

S

G

G

Q

K

I

L

G

K

H

G

A

A

T

M

L

L

D
|
D

V

V

F

F

R

S

I

Q

E
|
E

P

P

L

L

P

P

M

Q

D

E

H

S

P

P

Y

L

W

W

A

R

H

H

P

P

R

R

V

V

T

A

V

M

T

T

P

P

H
|
H

I

I

A

A

A
|
A

E

V

T

T

R

R

P

P

L

A

T

E

A

A

A

I

R

D

V

Y

I

I

A

S

D

R

N

T

I

I

R

T

R

Q

G

L

E

E

A

K

E

G

A

E

P

P

F

V

L

T

H

G

Q

Q

V

V

D

D

R

R

T

A

L

R

G

G

Y
|
Y

active site: M95 (≠ L93), R227 (= R223), E256 (= E252), H275 (= H271)
binding N-(2-hydroxyethyl)-N,N-dimethyl-3-sulfopropan-1-aminium: R56 (= R61)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: R89 (= R87), M99 (= M97), G143 (= G139), A144 (≠ L140), G145 (= G141), V146 (≠ A142), L147 (= L143), W165 (= W161), S166 (= S162), R167 (= R163), S168 (= S164), K170 (= K166), L197 (= L193), P199 (= P195), L225 (≠ P221), A226 (≠ G222), R227 (= R223), D251 (= D247), H275 (= H271), A278 (= A274), Y312 (= Y308)

Sites not aligning to the query:

binding N-(2-hydroxyethyl)-N,N-dimethyl-3-sulfopropan-1-aminium: 36, 53, 55

7jqiA Structure of wild type glyoxylate/hydroxypyruvate reductase a from escherichia coli in complex with alpha-ketoglutarate and NADP+
39% identity, 80% coverage: 63:308/308 of query aligns to 58:312/312 of 7jqiA

query
sites
7jqiA

K

K

A

A

V

V

L

F

S

A

L

L

W
x
G

A
|
A

G
|
G

V

V

E

D

K

S

I

I

V

L

G

S

N

K

R

L

T

Q

L

A

-

H

-

P

-

E

-

M

-

L

-

N

-

P

T

S

M

V

P

P

L

L

C

F

R
|
R

M

L

V

E

D

D

P

T

G

G

L

M

T

G

A

E

G

Q

M
|
M

V

Q

E

E

W

Y

V

A

T

V

G

S

H

Q

V

V

L

L

R

H

Y

W

H

F

L

R

N

R

I

F

D

D

-

D

-

Y

R

R

T

I

I

Q

H

Q

T

N

Q

S

D

S

R

H

W

W

E

Q

P

P

V

L

V

P

P

E

P

Y

L

H

A

R

E

E

E

D

R

F

P

T

V

I

T

G

V

I

L

L

G

G

L
x
A

G
|
G

A
x
V

L
|
L

G

G

Q

S

A

K

C

V

A

A

S

Q

M

S

L

L

A

Q

T

T

L

W

G

R

F

F

P

P

V

L

T

R

G

C

W
|
W

S
|
S

R
|
R

S
x
T

K

R

K
|
K

S

S

I

W

D

P

G

G

I

V

T

Q

C

S

R

F

H

A

G

G

D

R

D

E

G

E

L

L

R

S

D

A

A

F

L

L

A

S

T

Q

A

C

Q

R

I

V

V

L

I

I

L

N

L

L

L
|
L

P
|
P

D

N

T

T

H

P

A

E

T

T

E

V

N

G

T

I

L

I

N

N

S

Q

D

Q

T

L

L

L

A

E

L

K

L

L

P

P

K

D

G

G

A

A

R

Y

I

L

N

N

P
x
L

G

A

R
|
R

G

G

P

V

L

H

I

V

D

V

D

E

D

D

A

D

L

L

A

A

L

L

D

D

S

S

G

G

Q

K

I

V

G

K

H

G

A

A

T

M

L

L

D

D

V

V

F

F

R

N

I

R

E

E

P

P

L

L

P

P

M

P

D

E

H

S

P

P

Y

L

W

W

A

Q

H

H

P

P

R

R

V

V

T

T

V

I

T

T

P

P

H
|
H

I

V

A

A

A
|
A

E

I

T

T

R

R

P

P

L

A

T

E

A

A

A

V

R

E

V

Y

I

I

A

S

D

R

N

T

I

I

R

A

R

Q

G

L

E

E

A

K

E

G

A

E

P

K

F

V

L

C

H

G

Q

Q

V

V

D

D

R

R

T

A

L

R

G

G

Y
|
Y

binding 2-oxoglutaric acid: G64 (≠ W69), A65 (= A70), G66 (= G71), R227 (= R223), H275 (= H271)
binding nadp nicotinamide-adenine-dinucleotide phosphate: A65 (= A70), R89 (= R87), M99 (= M97), A144 (≠ L140), G145 (= G141), V146 (≠ A142), L147 (= L143), W165 (= W161), S166 (= S162), R167 (= R163), T168 (≠ S164), K170 (= K166), L198 (= L194), P199 (= P195), L225 (≠ P221), R227 (= R223), H275 (= H271), A278 (= A274), Y312 (= Y308)

6p35A 2.5 angstrom structure of wild type glyoxylate/hydroxypyruvate reductase a from escherichia coli in complex with 2-keto arginine and NADP
39% identity, 80% coverage: 63:308/308 of query aligns to 58:312/312 of 6p35A

query
sites
6p35A

K

K

A

A

V

V

L

F

S

A

L

L

W

G

A
|
A

G

G

V

V

E

D

K

S

I

I

V

L

G

S

N

K

R

L

T

Q

L

A

-

H

-

P

-

E

-

M

-

L

-

N

-

P

T

S

M

V

P

P

L

L

C

F

R
|
R

M

L

V

E

D

D

P

T

G

G

L

M

T

G

A

E

G

Q

M
|
M

V

Q

E

E

W

Y

V

A

T

V

G

S

H

Q

V

V

L

L

R

H

Y

W

H

F

L

R

N

R

I

F

D

D

-

D

-

Y

R

R

T

I

I

Q

H

Q

T

N

Q

S

D

S

R

H

W

W

E

Q

P

P

V

L

V

P

P

E

P

Y

L

H

A

R

E

E

E

D

R

F

P

T

V

I

T

G

V

I

L

L

G

G

L
x
A

G
|
G

A
x
V

L
|
L

G

G

Q

S

A

K

C

V

A

A

S

Q

M

S

L

L

A

Q

T

T

L

W

G

R

F

F

P

P

V

L

T

R

G

C

W
|
W

S
|
S

R
|
R

S
x
T

K

R

K
|
K

S

S

I

W

D

P

G

G

I

V

T

Q

C

S

R

F

H

A

G

G

D

R

D

E

G

E

L

L

R

S

D

A

A

F

L

L

A

S

T

Q

A

C

Q

R

I

V

V

L

I

I

L

N

L

L

L
|
L

P
|
P

D

N

T

T

H

P

A

E

T

T

E

V

N

G

T

I

L

I

N

N

S

Q

D

Q

T

L

L

L

A

E

L

K

L

L

P

P

K

D

G

G

A

A

R

Y

I

L

N

N

P
x
L

G

A

R
|
R

G

G

P

V

L

H

I

V

D

V

D

E

D

D

A

D

L

L

A

A

L

L

D

D

S

S

G

G

Q

K

I

V

G

K

H

G

A

A

T

M

L

L

D

D

V

V

F

F

R

N

I

R

E

E

P

P

L

L

P

P

M

P

D

E

H

S

P

P

Y

L

W

W

A

Q

H

H

P

P

R

R

V

V

T

T

V

I

T

T

P

P

H
|
H

I

V

A
|
A

E

I

T
|
T

R

R

P

P

L

A

T

E

A

A

A

V

R

E

V

Y

I

I

A

S

D

R

N

T

I

I

R

A

R

Q

G

L

E

E

A

K

E

G

A

E

P

K

F

V

L

C

H

G

Q

Q

V

V

D

D

R

R

T

A

L

R

G

G

Y
|
Y

binding nadp nicotinamide-adenine-dinucleotide phosphate: A65 (= A70), R89 (= R87), M99 (= M97), A144 (≠ L140), G145 (= G141), V146 (≠ A142), L147 (= L143), W165 (= W161), S166 (= S162), R167 (= R163), T168 (≠ S164), K170 (= K166), L198 (= L194), P199 (= P195), L225 (≠ P221), R227 (= R223), H275 (= H271), A277 (= A273), A278 (= A274), Y312 (= Y308)
binding 5-[(diaminomethylidene)amino]-2-oxopentanoic acid: A65 (= A70), R227 (= R223), H275 (= H271), T280 (= T276)

Sites not aligning to the query:

binding 5-[(diaminomethylidene)amino]-2-oxopentanoic acid: 10, 11, 15

7jqhA Structure of wild type glyoxylate/hydroxypyruvate reductase a from escherichia coli in complex with phosphate and NADP+
39% identity, 80% coverage: 63:308/308 of query aligns to 59:313/313 of 7jqhA

query
sites
7jqhA

K

K

A

A

V

V

L

F

S

A

L

L

W

G

A
|
A

G

G

V

V

E

D

K

S

I

I

V

L

G

S

N

K

R

L

T

Q

L

A

-

H

-

P

-

E

-

M

-

L

-

N

-

P

T

S

M

V

P

P

L

L

C

F

R
|
R

M

L

V

E

D

D

P

T

G

G

L

M

T

G

A

E

G

Q

M
|
M

V

Q

E

E

W

Y

V

A

T

V

G

S

H

Q

V

V

L

L

R

H

Y

W

H

F

L

R

N

R

I

F

D

D

-

D

-

Y

R

R

T

I

I

Q

H

Q

T

N

Q

S

D

S

R

H

W

W

E

Q

P

P

V

L

V

P

P

E

P

Y

L

H

A

R

E

E

E

D

R

F

P

T

V

I

T

G

V

I

L

L

G

G

L
x
A

G
|
G

A
x
V

L
|
L

G

G

Q

S

A

K

C

V

A

A

S

Q

M

S

L

L

A

Q

T

T

L

W

G

R

F

F

P

P

V

L

T

R

G

C

W
|
W

S
|
S

R
|
R

S
x
T

K

R

K
|
K

S

S

I

W

D

P

G

G

I

V

T

Q

C

S

R

F

H

A

G

G

D

R

D

E

G

E

L

L

R

S

D

A

A

F

L

L

A

S

T

Q

A

C

Q

R

I

V

V

L

I

I

L

N

L

L

L
|
L

P
|
P

D

N

T

T

H

P

A

E

T

T

E

V

N

G

T

I

L

I

N

N

S

Q

D

Q

T

L

L

L

A

E

L

K

L

L

P

P

K

D

G

G

A

A

R

Y

I

L

N

N

P
x
L

G
x
A

R
|
R

G

G

P

V

L

H

I

V

D

V

D

E

D

D

A

D

L

L

A

A

L

L

D

D

S

S

G

G

Q

K

I

V

G

K

H

G

A

A

T

M

L

L

D
|
D

V

V

F

F

R

N

I

R

E

E

P

P

L

L

P

P

M

P

D

E

H

S

P

P

Y

L

W

W

A

Q

H

H

P

P

R

R

V

V

T

T

V

I

T

T

P

P

H
|
H

I

V

A

A

A
|
A

E

I

T

T

R

R

P

P

L

A

T

E

A

A

A

V

R

E

V

Y

I

I

A

S

D

R

N

T

I

I

R

A

R

Q

G

L

E

E

A

K

E

G

A

E

P

K

F

V

L

C

H

G

Q

Q

V

V

D

D

R

R

T

A

L

R

G

G

Y
|
Y

binding nadp nicotinamide-adenine-dinucleotide phosphate: A66 (= A70), R90 (= R87), M100 (= M97), A145 (≠ L140), G146 (= G141), V147 (≠ A142), L148 (= L143), W166 (= W161), S167 (= S162), R168 (= R163), T169 (≠ S164), K171 (= K166), L199 (= L194), P200 (= P195), L226 (≠ P221), A227 (≠ G222), R228 (= R223), D252 (= D247), H276 (= H271), A279 (= A274), Y313 (= Y308)

5tsdA Crystal structure of NADPH-dependent 2-hydroxyacid dehydrogenase from rhizobium etli cfn 42 in complex with NADPH and oxalate
34% identity, 94% coverage: 20:308/308 of query aligns to 19:316/316 of 5tsdA

query
sites
5tsdA

L

L

R

K

A

T

A

A

F

F

A

A

E

D

A

R

G

G

L

-

K

S

V

I

D

N

L

L

-

A

-

D

-

P

-

A

R

N

L

R

D

E

H

R

T

D

P

F

D

S

E

E

V

T

D

E

Y

Y

-

A

V

L

Y
x
W

A

K

P

P

N

D

S

A

D

D

L

L

Q

-

D

-

F

F

T

R

P

R

Y

A

T

P

R

N

C

L

K

K

A

V

V

I

L

F

S

S

L

G

W
x
G

A
|
A

G
|
G

V

V

E

D

K

H

I

I

V

I

G

G

N

M

R

A

T

G

L

L

-

P

T

D

M

I

P

P

L

I

C

V

R
|
R

M

F

V

V

D

D

P

R

G

S

L

L

T

T

A

T

G

R

M
|
M

V

S

E

E

W

W

V

V

T

V

G

M

H

Q

V

C

L

L

R

-

Y

M

H

H

L

L

N

R

I

G

D

Q

R

Y

T

G

I

H

H

D

T

S

Q

H

D

Q

R

R

-

R

-

E

W

W

E

A

P

K

V

L

V

I

P

A

P

P

L

E

A

A

E

A

E

E

R

V

P

T

V

V

T

G

V

V

L

M

G
|
G

L
|
L

G
|
G

A
x
I

L
|
L

G

G

Q

Q

A

D

C

A

A

V

S

A

M

K

L

L

A

K

T

V

L

M

G

G

F

F

P

N

V

V

T

I

G

G

W
|
W

S
|
S

R
|
R

S
x
T

K

R

K
|
K

S

T

I

I

D

E

G

G

I

V

T

E

C

T

R

F

H

D

G

A

D

G

D

E

G

-

L

L

R

D

D

R

A

F

L

L

A

A

T

K

A

T

Q

D

I

I

V

L

I

V

L

G

L

L

L
|
L

P
|
P

D

L

T

T

H

P

A

E

T

T

E

T

N

G

T

F

L

Y

N

D

S

S

D

E

T

L

L

F

A

K

L

K

L

L

P

R

K

R

G

D

A

G

R

A

I

L

-

G

-

Q

-

P

-

V

-

F

I

I

N

N

P
x
A

G
|
G

R
|
R

G

G

P

K

L

S

I

Q

D

I

D

E

D

T

A

D

L

I

L

V

A

S

A

A

L

V

D

R

S

E

G

G

Q

T

I

L

G

G

H

G

A

A

T

S

L

L

D
|
D

V

V

F

F

R

E

I

V

E
|
E

P

P

L

L

P

A

M

T

D

D

H

S

P

P

Y

L

W

W

A

E

H

L

P

E

R

N

V

V

T

F

V

I

T

T

P

P

H
|
H

I

D

A

A

E

V

T

S

R

E

P

E

L

N

T

A

A

L

A

F

R

R

V

H

I

V

A

E

D

M

N

Q

I

I

R

A

R

R

G

F

E

E

A

R

E

G

A

E

P

P

F

L

L

Q

H

F

Q

V

V

I

D

D

R

R

T

A

L

A

G

G

Y
|
Y

active site: E260 (= E252), H279 (= H271)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: A71 (= A70), R89 (= R87), M99 (= M97), G143 (= G139), L144 (= L140), G145 (= G141), I146 (≠ A142), L147 (= L143), W165 (= W161), S166 (= S162), R167 (= R163), T168 (≠ S164), K170 (= K166), L197 (= L194), P198 (= P195), A229 (≠ P221), G230 (= G222), R231 (= R223), D255 (= D247), H279 (= H271), Y316 (= Y308)
binding oxalic acid: W50 (≠ Y47), G70 (≠ W69), A71 (= A70), G72 (= G71), R231 (= R223), H279 (= H271)

5bqfA Probable 2-hydroxyacid dehydrogenase from rhizobium etli cfn 42 in complex with NADP, hepes and l(+)-tartaric acid
34% identity, 94% coverage: 20:308/308 of query aligns to 20:317/317 of 5bqfA

query
sites
5bqfA

L

L

R

K

A

T

A

A

F

F

A

A

E

D

A

R

G

G

L

-

K

S

V

I

D

N

L

L

-

A

-

D

-

P

-

A

R

N

L

R

D

E

H

R

T

D

P

F

D

S

E

E

V

T

D

E

Y

Y

-

A

V

L

Y

W

A

K

P

P

N

D

S

A

D

D

L

L

Q

-

D

-

F

F

T

R

P

R

Y

A

T

P

R

N

C

L

K

K

A

V

V

I

L

F

S

S

L

G

W

G

A
|
A

G

G

V

V

E

D

K

H

I

I

V

I

G

G

N

M

R

A

T

G

L

L

-

P

T

D

M

I

P

P

L

I

C

V

R
|
R

M

F

V

V

D

D

P

R

G

S

L

L

T

T

A

T

G

R

M
|
M

V

S

E

E

W

W

V

V

T

V

G

M

H

Q

V

C

L

L

R

-

Y

M

H

H

L

L

N

R

I

G

D

Q

R

Y

T

G

I

H

H

D

T

S

Q

H

D

Q

R

R

-

R

-

E

W

W

E

A

P

K

V

L

V

I

P

A

P

P

L

E

A

A

E

A

E

E

R

V

P

T

V

V

T

G

V

V

L

M

G
|
G

L
|
L

G
|
G

A
x
I

L
|
L

G

G

Q

Q

A

D

C

A

A

V

S

A

M

K

L

L

A

K

T

V

L

M

G

G

F

F

P

N

V

V

T

I

G

G

W
|
W

S
|
S

R
|
R

S
x
T

K

R

K

K

S

T

I

I

D

E

G

G

I

V

T

E

C

T

R

F

H

D

G

A

D

G

D

E

G

-

L

L

R

D

D

R

A

F

L

L

A

A

T

K

A

T

Q

D

I

I

V

L

I

V

L

G

L

L

L
|
L

P
|
P

D

L

T

T

H

P

A

E

T

T

E

T

N

G

T

F

L

Y

N

D

S

S

D

E

T

L

L

F

A

K

L

K

L

L

P

R

K

R

G

D

A

G

R

A

I

L

-

G

-

Q

-

P

-

V

-

F

I

I

N

N

P
x
A

G
|
G

R
|
R

G

G

P

K

L

S

I

Q

D

I

D

E

D

T

A

D

L

I

L

V

A

S

A

A

L

V

D

R

S

E

G

G

Q

T

I

L

G

G

H

G

A

A

T

S

L

L

D

D

V

V

F

F

R

E

I

V

E
|
E

P

P

L

L

P

A

M

T

D

D

H

S

P

P

Y

L

W

W

A

E

H

L

P

E

R

N

V

V

T

F

V

I

T

T

P

P

H
|
H

I

D

A

A

A
|
A

E

V

T

S

R

E

P

E

L

N

T

A

A

L

A

F

R

R

V

H

I

V

A

E

D

M

N

Q

I

I

R

A

R

R

G

F

E

E

A

R

E

G

A

E

P

P

F

L

L

Q

H

F

Q

V

V

I

D

D

R

R

T

A

L

A

G

G

Y
|
Y

active site: E261 (= E252), H280 (= H271)
binding nadp nicotinamide-adenine-dinucleotide phosphate: A72 (= A70), R90 (= R87), M100 (= M97), G144 (= G139), L145 (= L140), G146 (= G141), I147 (≠ A142), L148 (= L143), W166 (= W161), S167 (= S162), R168 (= R163), T169 (≠ S164), L198 (= L194), P199 (= P195), A230 (≠ P221), G231 (= G222), R232 (= R223), H280 (= H271), A283 (= A274), Y317 (= Y308)

4xcvA Probable 2-hydroxyacid dehydrogenase from rhizobium etli cfn 42 in complex with NADPH
34% identity, 94% coverage: 20:308/308 of query aligns to 20:317/317 of 4xcvA

query
sites
4xcvA

L

L

R

K

A

T

A

A

F

F

A

A

E

D

A

R

G

G

L

-

K

S

V

I

D

N

L

L

-

A

-

D

-

P

-

A

R

N

L

R

D

E

H

R

T

D

P

F

D

S

E

E

V

T

D

E

Y

Y

-

A

V

L

Y

W

A

K

P

P

N

D

S

A

D

D

L

L

Q

-

D

-

F

F

T

R

P

R

Y

A

T

P

R

N

C

L

K

K

A

V

V

I

L

F

S

S

L

G

W

G

A
|
A

G

G

V

V

E

D

K

H

I

I

V

I

G

G

N

M

R

A

T

G

L

L

-

P

T

D

M

I

P

P

L

I

C

V

R
|
R

M

F

V

V

D

D

P

R

G

S

L

L

T

T

A

T

G

R

M
|
M

V

S

E

E

W

W

V

V

T

V

G

M

H

Q

V

C

L

L

R

-

Y

M

H

H

L

L

N

R

I

G

D

Q

R

Y

T

G

I

H

H

D

T

S

Q

H

D

Q

R

R

-

R

-

E

W

W

E

A

P

K

V

L

V

I

P

A

P

P

L

E

A

A

E

A

E

E

R

V

P

T

V

V

T

G

V

V

L

M

G
|
G

L
|
L

G
|
G

A
x
I

L
|
L

G

G

Q

Q

A

D

C

A

A

V

S

A

M

K

L

L

A

K

T

V

L

M

G

G

F

F

P

N

V

V

T

I

G

G

W
|
W

S
|
S

R
|
R

S
x
T

K

R

K
|
K

S

T

I

I

D

E

G

G

I

V

T

E

C

T

R

F

H

D

G

A

D

G

D

E

G

-

L

L

R

D

D

R

A

F

L

L

A

A

T

K

A

T

Q

D

I

I

V

L

I

V

L

G

L

L

L
|
L

P
|
P

D

L

T

T

H

P

A

E

T

T

E

T

N

G

T

F

L

Y

N

D

S

S

D

E

T

L

L

F

A

K

L

K

L

L

P

R

K

R

G

D

A

G

R

A

I

L

-

G

-

Q

-

P

-

V

-

F

I

I

N

N

P
x
A

G
|
G

R
|
R

G

G

P

K

L

S

I

Q

D

I

D

E

D

T

A

D

L

I

L

V

A

S

A

A

L

V

D

R

S

E

G

G

Q

T

I

L

G

G

H

G

A

A

T

S

L

L

D

D

V

V

F

F

R

E

I

V

E
|
E

P

P

L

L

P

A

M

T

D

D

H

S

P

P

Y

L

W

W

A

E

H

L

P

E

R

N

V

V

T

F

V

I

T

T

P

P

H
|
H

I

D

A

A

A
|
A

E

V

T

S

R

E

P

E

L

N

T

A

A

L

A

F

R

R

V

H

I

V

A

E

D

M

N

Q

I

I

R

A

R

R

G

F

E

E

A

R

E

G

A

E

P

P

F

L

L

Q

H

F

Q

V

V

I

D

D

R

R

T

A

L

A

G

G

Y
|
Y

active site: E261 (= E252), H280 (= H271)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: A72 (= A70), R90 (= R87), M100 (= M97), G144 (= G139), L145 (= L140), G146 (= G141), I147 (≠ A142), L148 (= L143), W166 (= W161), S167 (= S162), R168 (= R163), T169 (≠ S164), K171 (= K166), L198 (= L194), P199 (= P195), A230 (≠ P221), G231 (= G222), R232 (= R223), H280 (= H271), A283 (= A274), Y317 (= Y308)

4z0pA Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase smc02828 (smghra) from sinorhizobium meliloti in complex with NADPH and oxalate (see paper)
37% identity, 87% coverage: 42:308/308 of query aligns to 44:316/316 of 4z0pA

query
sites
4z0pA

V

I

D

D

Y

Y

-

A

V

V

Y
x
W

A

K

P

S

N

A

S

P

D

D

L

L

Q

-

D

-

F

F

T

S

P

R

Y

A

T

P

R

D

C

L

K

K

A

V

V

V

L

F

S

S

L

G

W
x
G

A
|
A

G
|
G

V

V

E

D

K

H

I

V

V

L

G

T

N

L

R

P

T

G

L

L

-

P

T

D

M

V

P

P

L

L

C

V

R
|
R

M

F

V

V

D

D

P

R

G

T

L
|
L

T

T

A

T

G

R

M
|
M

V

S

E

E

W

W

V

V

T

M

G

M

H

Q

V

C

L

L

R

-

Y

L

H

H

L

L

N

R

I

Q

D
x
H

R
|
R

T

A

-

Y

-

E

-

A

I

L

H

A

T

K

Q

K

D

H

R

E

W

W

E

R

P

D

V

L

V

S

P

Q

P

P

L

E

A

A

E

A

E

D

R

V

P

T

V

V

T

G

V

I

L

M

G

G

L
x
M

G
|
G

A
x
V

L
|
L

G

G

Q

Q

A

D

C

A

A

A

S

R

M

K

L

L

A

A

T

A

L

M

G

G

F

F

P

K

V

V

T

I

G

G

W
|
W

S
|
S

R
|
R

S
|
S

K

K

K
x
R

S

V

I

I

D

E

G

G

I

V

T

E

C

T

R

-

H

Y

G

D

D

A

G

G

L

L

R

D

D

A

A

F

L

L

A

G

T

R

A

T

Q

D

I

F

V

L

I

V

L

G

L

L

L
|
L

P
|
P

D

L

T

T

H

P

A

D

T

T

E

R

N

G

T

I

L

F

N

N

S

A

D

A

T

L

L

F

A

A

L

K

L

L

-

S

-

R

-

N

-

G

P

P

K

F

G

G

A

A

R

P

I

V

-

F

I

I

N

N

P
x
A

G
|
G

R
|
R

G

G

P

G

L

S

I

Q

D

V

D

E

D

A

A

D

L

I

L

L

A

E

A

C

L

L

D

D

S

S

G

G

Q

V

I

L

G
|
G

H

G

A

A

T

S

L

L

D
|
D

V

V

F

F

R

E

I

R

E
|
E

P

P

L

L

P

S

M

P

D

E

H

S

P

R

Y

F

W

W

A

D

H

M

P

P

R

N

V

V

T

Y

V

V

T

T

P

P

H
|
H

I

V

A
|
A

E

S

T

S

R

D

P

V

L

R

T

A

A

L

A

F

R

V

V

H

I

V

A

E

D

H

N

Q

I

I

R

A

R

R

G

F

E

E

A

S

E

G

A

L

P

P

F

L

L

E

H

H

Q

V

V

V

D

D

R

K

T

V

L

A

G

G

Y
|
Y

active site: L95 (= L93), R231 (= R223), G250 (= G242), D255 (= D247), E260 (= E252), H279 (= H271)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: R89 (= R87), M99 (= M97), M144 (≠ L140), G145 (= G141), V146 (≠ A142), L147 (= L143), W165 (= W161), S166 (= S162), R167 (= R163), S168 (= S164), R170 (≠ K166), L197 (= L194), P198 (= P195), A229 (≠ P221), G230 (= G222), R231 (= R223), H279 (= H271), A281 (= A273), A282 (= A274), Y316 (= Y308)
binding oxalic acid: W50 (≠ Y47), G70 (≠ W69), A71 (= A70), G72 (= G71), H114 (≠ D113), R115 (= R114), R231 (= R223), H279 (= H271)

4weqA Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase smc02828 (smghra) from sinorhizobium meliloti in complex with NADP and sulfate (see paper)
37% identity, 87% coverage: 42:308/308 of query aligns to 44:316/316 of 4weqA

query
sites
4weqA

V

I

D

D

Y

Y

-

A

V

V

Y

W

A

K

P

S

N

A

S

P

D

D

L

L

Q

-

D

-

F

F

T

S

P

R

Y

A

T

P

R

D

C

L

K

K

A

V

V

V

L

F

S

S

L

G

W

G

A

A

G

G

V

V

E

D

K

H

I

V

V

L

G

T

N

L

R

P

T

G

L

L

-

P

T

D

M

V

P

P

L

L

C

V

R
|
R

M

F

V

V

D

D

P

R

G

T

L
|
L

T

T

A

T

G

R

M
|
M

V

S

E

E

W

W

V

V

T

M

G

M

H

Q

V

C

L

L

R

-

Y

L

H

H

L

L

N

R

I

Q

D

H

R

R

T

A

-

Y

-

E

-

A

I

L

H

A

T

K

Q

K

D

H

R

E

W

W

E

R

P

D

V

L

V

S

P

Q

P

P

L

E

A

A

E

A

E

D

R

V

P

T

V

V

T

G

V

I

L

M

G

G

L
x
M

G
|
G

A
x
V

L
|
L

G

G

Q

Q

A

D

C

A

A

A

S

R

M

K

L

L

A

A

T

A

L

M

G

G

F

F

P

K

V

V

T

I

G

G

W
|
W

S
|
S

R
|
R

S
|
S

K

K

K
x
R

S

V

I

I

D

E

G

G

I

V

T

E

C

T

R

-

H

Y

G

D

D

A

G

G

L

L

R

D

D

A

A

F

L

L

A

G

T

R

A

T

Q

D

I

F

V

L

I

V

L

G

L

L

L
|
L

P
|
P

D

L

T

T

H

P

A

D

T

T

E

R

N

G

T

I

L

F

N

N

S

A

D

A

T

L

L

F

A

A

L

K

L

L

-

S

-

R

-

N

-

G

P

P

K

F

G

G

A

A

R

P

I

V

-

F

I

I

N

N

P
x
A

G
|
G

R
|
R

G

G

P

G

L

S

I

Q

D

V

D

E

D

A

A

D

L

I

L

L

A

E

A

C

L

L

D

D

S

S

G

G

Q

V

I

L

G
|
G

H

G

A

A

T

S

L

L

D
|
D

V

V

F

F

R

E

I

R

E
|
E

P

P

L

L

P

S

M

P

D

E

H

S

P

R

Y

F

W

W

A

D

H

M

P

P

R

N

V

V

T

Y

V

V

T

T

P

P

H
|
H

I

V

A
|
A

A

A

E

S

T

S

R

D

P

V

L

R

T

A

A

L

A

F

R

V

V

H

I

V

A

E

D

H

N

Q

I

I

R

A

R

R

G

F

E

E

A

S

E

G

A

L

P

P

F

L

L

E

H

H

Q

V

V

V

D

D

R

K

T

V

L

A

G

G

Y
|
Y

active site: L95 (= L93), R231 (= R223), G250 (= G242), D255 (= D247), E260 (= E252), H279 (= H271)
binding nadp nicotinamide-adenine-dinucleotide phosphate: R89 (= R87), M99 (= M97), M144 (≠ L140), G145 (= G141), V146 (≠ A142), L147 (= L143), W165 (= W161), S166 (= S162), R167 (= R163), S168 (= S164), R170 (≠ K166), L197 (= L194), P198 (= P195), A229 (≠ P221), G230 (= G222), R231 (= R223), D255 (= D247), H279 (= H271), A281 (= A273), Y316 (= Y308)

5mh6A D-2-hydroxyacid dehydrogenases (d2-hdh) from haloferax mediterranei in complex with 2-ketohexanoic acid and NAD+ (1.35 a resolution)
37% identity, 65% coverage: 92:291/308 of query aligns to 90:294/306 of 5mh6A

query
sites
5mh6A

G

G

L

T

T

T

A

V

G

G

M

-

V

-

E

E

W

T

V

V

T

A

G

G

H

Y

V

M

L

L

R

T

Y

F

-

A

-

R

H

R

L

L

N

H

I

A

D

Y

R

R

T

D

I

A

H

Q

T

H

Q

D

D

H

R

A

W

W

-

D

-

L

-

P

-

R

-

Y

-

E

E

E

P

P

V

F

V
x
T

P

-

L

L

A
|
A

E

G

E

E

R

R

P

-

V

V

T

C

V

V

L

V

G

G

L

L

G
|
G

A
x
T

L
|
L

G

G

Q

R

A

G

C

V

A

V

S

D

M

R

L

A

A

A

T

A

L

L

G

G

F

M

P

E

V

V

T

V

G

G

W

V

S

R

R
|
R

S

S

K

G

K

D

S

P

I

V

D

D

G

N

I

V

T

S

C

T

R

V

H

Y

G

T

D

P

D

D

G

R

L

L

R

H

D

E

A

A

L

I

A

A

T

D

A

A

Q

R

I

F

V

V

I

V

L

L

L

A

L

T

P
|
P

D

L

T

T

H

D

A

E

T
|
T

E

E

N

G

T

M

L

V

N

A

S

A

D

P

T

E

L
x
F

A
x
E

L

T

L
x
M

P

R

K

E

G

D

A

A

R

S

I

L

I

V

N

N

P
x
V

G
x
A

R
|
R

G
|
G

P
|
P

L

V

I
x
V

D

V

D
x
E

D

S

A

D

L

L

L

V

A

A

L

L

D

D

S

S

G

G

Q
x
D

I

I

G

A

H

G

A

A

T

A

L

L

D

D

V

V

F

F

R
x
S

I

E

E

E

P

P

L

L

P

P

M

E

D

D

H

S

P

P

Y

L

W

W

A

D

H

F

P

E

R

D

V

V

T

L

V

I

T

T

P

P

H
|
H

I

V

A
x
S

A

A

E

A

T

T

R

S

P

K

L
x
Y

-

H

-

E

T

D

A

V

A

A

R

A

V

L

I

I

A

R

D

E

N

N

I

I

R

E

R

K

binding 2-Ketohexanoic acid: R224 (= R223), H272 (= H271), Y280 (≠ L279)
binding magnesium ion: T130 (≠ V126), A132 (= A130), F210 (≠ L209), E211 (≠ A210), M213 (≠ L212), G225 (= G224), P226 (= P225), V228 (≠ I227), E230 (≠ D229), D241 (≠ Q240), S251 (≠ R250)
binding nicotinamide-adenine-dinucleotide: G142 (= G141), T143 (≠ A142), L144 (= L143), R164 (= R163), P196 (= P195), T201 (= T200), V222 (≠ P221), A223 (≠ G222), R224 (= R223), H272 (= H271), S274 (≠ A273)

Sites not aligning to the query:

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, 65% coverage: 92:291/308 of query aligns to 92:296/308 of 5mhaB

query
sites
5mhaB

G

G

L

T

T

T

A

V

G

G

M

-

V

-

E

E

W

T

V

V

T

A

G

G

H

Y

V

M

L

L

R

T

Y

F

-

A

-

R

H

R

L

L

N

H

I

A

D

Y

R

R

T

D

I

A

H

Q

T

H

Q

D

D

H

R

A

W

W

-

D

-

L

-

P

-

R

-

Y

-

E

E

E

P

P

V

F

V

T

P

-

L

L

A

A

E

G

E

E

R

R

P

-

V

V

T

C

V

V

L

V

G

G

L
|
L

G
|
G

A
x
T

L
|
L

G

G

Q

R

A

G

C

V

A

V

S

D

M

R

L

A

A

A

T

A

L

L

G

G

F

M

P

E

V

V

T

V

G

G

W

V

S
x
R

R
|
R

S
|
S

K

G

K

D

S

P

I

V

D

D

G

N

I

V

T

S

C

T

R

V

H

Y

G

T

D
x
P

D

D

G

R

L

L

R

H

D

E

A

A

L

I

A

A

T

D

A

A

Q

R

I

F

V

V

I

V

L

L

L

A

L
x
T

P
|
P

D

L

T

T

H

D

A

E

T
|
T

E

E

N

G

T

M

L

V

N

A

S

A

D

P

T

E

L
x
F

A
x
E

L

T

L
x
M

P

R

K

E

G

D

A

A

R

S

I

L

I

V

N

N

P
x
V

G
x
A

R
|
R

G

G

P

P

L

V

I

V

D

V

D

E

D

S

A

D

L

L

L

V

A

A

L

L

D

D

S

S

G

G

Q
x
D

I

I

G

A

H

G

A

A

T

A

L

L

D

D

V

V

F

F

R

S

I

E

E

E

P

P

L

L

P

P

M

E

D

D

H

S

P

P

Y

L

W

W

A

D

H

F

P

E

R

D

V

V

T

L

V

I

T

T

P

P

H
|
H

I

V

A
x
S

A

A

E

A

T

T

R

S

P

K

L
x
Y

-

H

-

E

T

D

A

V

A

A

R

A

V

L

I

I

A

R

D

E

N

N

I

I

R

E

R

K

binding 2-Ketohexanoic acid: R226 (= R223), H274 (= H271), Y282 (≠ L279)
binding (2R)-2-hydroxyhexanoic acid: Y282 (≠ L279)
binding magnesium ion: F212 (≠ L209), E213 (≠ A210), M215 (≠ L212), D243 (≠ Q240)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: L143 (= L140), G144 (= G141), T145 (≠ A142), L146 (= L143), R165 (≠ S162), R166 (= R163), S167 (= S164), P180 (≠ D177), T197 (≠ L194), P198 (= P195), T203 (= T200), V224 (≠ P221), A225 (≠ G222), R226 (= R223), H274 (= H271), S276 (≠ A273)

Sites not aligning to the query:

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, 65% coverage: 92:291/308 of query aligns to 92:296/308 of 5mhaA

query
sites
5mhaA

G

G

L

T

T

T

A

V

G

G

M

-

V

-

E

E

W

T

V

V

T

A

G

G

H

Y

V

M

L

L

R

T

Y

F

-

A

-

R

H

R

L

L

N

H

I

A

D

Y

R

R

T

D

I

A

H

Q

T

H

Q

D

D

H

R

A

W

W

-

D

-

L

-

P

-

R

-

Y

-

E

E

E

P

P

V

F

V
x
T

P

-

L

L

A
|
A

E

G

E

E

R

R

P

-

V

V

T

C

V

V

L

V

G

G

L
|
L

G
|
G

A
x
T

L
|
L

G

G

Q

R

A

G

C

V

A

V

S

D

M

R

L

A

A

A

T

A

L

L

G

G

F

M

P

E

V

V

T

V

G

G

W

V

S
x
R

R
|
R

S
|
S

K

G

K

D

S

P

I

V

D

D

G

N

I

V

T

S

C

T

R

V

H

Y

G

T

D
x
P

D

D

G

R

L

L

R

H

D

E

A

A

L

I

A

A

T

D

A

A

Q

R

I

F

V

V

I

V

L

L

L

A

L
x
T

P
|
P

D

L

T

T

H

D

A

E

T
|
T

E

E

N

G

T

M

L

V

N

A

S

A

D

P

T

E

L

F

A

E

L

T

L

M

P

R

K

E

G

D

A

A

R

S

I

L

I

V

N

N

P
x
V

G
x
A

R
|
R

G

G

P

P

L

V

I

V

D

V

D

E

D

S

A

D

L

L

L

V

A

A

L

L

D

D

S

S

G

G

Q

D

I

I

G

A

H

G

A

A

T

A

L

L

D

D

V

V

F

F

R

S

I

E

E

E

P

P

L

L

P

P

M

E

D

D

H

S

P

P

Y

L

W

W

A

D

H

F

P

E

R

D

V

V

T

L

V

I

T

T

P

P

H
|
H

I

V

A
x
S

A

A

E

A

T

T

R

S

P

K

L
x
Y

-

H

-

E

T

D

A

V

A

A

R

A

V

L

I

I

A

R

D

E

N

N

I

I

R

E

R

K

binding 2-Ketohexanoic acid: R226 (= R223), H274 (= H271), Y282 (≠ L279)
binding magnesium ion: T132 (≠ V126), A134 (= A130)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: L143 (= L140), G144 (= G141), T145 (≠ A142), L146 (= L143), R165 (≠ S162), R166 (= R163), S167 (= S164), P180 (≠ D177), T197 (≠ L194), P198 (= P195), T203 (= T200), V224 (≠ P221), A225 (≠ G222), R226 (= R223), H274 (= H271), S276 (≠ A273)

Sites not aligning to the query:

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, 65% coverage: 92:291/308 of query aligns to 92:296/308 of 5mh5A

query
sites
5mh5A

G

G

L

T

T

T

A

V

G

G

M

-

V

-

E

E

W

T

V

V

T

A

G

G

H

Y

V

M

L

L

R

T

Y

F

-

A

-

R

H

R

L

L

N

H

I

A

D

Y

R

R

T

D

I

A

H

Q

T

H

Q

D

D

H

R

A

W

W

-

D

-

L

-

P

-

R

-

Y

-

E

E

E

P

P

V

F

V
x
T

P

-

L

L

A
|
A

E

G

E

E

R

R

P

-

V

V

T

C

V

V

L

V

G
|
G

L
|
L

G
|
G

A
x
T

L
|
L

G

G

Q

R

A

G

C

V

A

V

S

D

M

R

L

A

A

A

T

A

L

L

G

G

F

M

P

E

V

V

T

V

G

G

W

V

S
x
R

R
|
R

S
|
S

K

G

K

D

S

P

I

V

D

D

G

N

I

V

T

S

C

T

R

V

H

Y

G

T

D

P

D

D

G

R

L

L

R

H

D

E

A

A

L

I

A

A

T

D

A

A

Q

R

I

F

V

V

I

V

L

L

L

A

L
x
T

P
|
P

D

L

T

T

H

D

A

E

T
|
T

E

E

N

G

T

M

L

V

N

A

S

A

D

P

T

E

L
x
F

A
x
E

L

T

L
x
M

P

R

K

E

G

D

A

A

R

S

I

L

I

V

N

N

P
x
V

G
x
A

R
|
R

G

G

P

P

L

V

I

V

D

V

D

E

D

S

A

D

L

L

L

V

A

A

L

L

D

D

S

S

G

G

Q
x
D

I

I

G

A

H

G

A

A

T

A

L

L

D

D

V

V

F

F

R

S

I

E

E

E

P

P

L

L

P

P

M

E

D

D

H

S

P

P

Y

L

W

W

A

D

H

F

P

E

R

D

V

V

T

L

V

I

T

T

P

P

H
|
H

I

V

A
x
S

A

A

E

A

T

T

R

S

P

K

L
x
Y

-

H

-

E

T

D

A

V

A

A

R

A

V

L

I

I

A

R

D

E

N

N

I

I

R

E

R

K

binding 2-Ketohexanoic acid: R226 (= R223), H274 (= H271), Y282 (≠ L279)
binding magnesium ion: T132 (≠ V126), A134 (= A130), F212 (≠ L209), E213 (≠ A210), M215 (≠ L212), D243 (≠ Q240)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G142 (= G139), L143 (= L140), G144 (= G141), T145 (≠ A142), L146 (= L143), R165 (≠ S162), R166 (= R163), S167 (= S164), T197 (≠ L194), P198 (= P195), T203 (= T200), V224 (≠ P221), A225 (≠ G222), R226 (= R223), H274 (= H271), S276 (≠ A273)

Sites not aligning to the query:

4e5pA Thermostable phosphite dehydrogenase a176r variant in complex with nad (see paper)
34% identity, 55% coverage: 135:304/308 of query aligns to 148:327/332 of 4e5pA

query
sites
4e5pA

V

V

T

G

V

F

L

L

G

G

L

M

G
|
G

A
|
A

L
x
I

G

G

Q

L

A

A

C

M

A

A

S

D

M

R

L

L

A

Q

T

-

L

-

G

G

F

W

P

G

V

A

T

T

G

L

W

Q

S

Y

R

H

S
x
A

K
x
R

K

K

S

A

I

L

D

D

G

T

I

Q

T

T

C

E

R

Q

H

R

G

-

D

-

D

L

G

G

L

L

R

R

-

Q

-

V

-

A

-

C

-

S

D

E

A

L

L

F

A

A

T

S

A

S

Q

D

I

F

V

I

I

L

L

L

L

A

L
|
L

P
|
P

D

L

T

N

H

A

A

D

T
|
T

E

L

N

H

T

L

L

V

N

N

S

A

D

E

T

L

L

L

A

A

L

L

L

V

P

R

K

P

G

G

A

A

R

L

I

L

I

V

N

N

P
|
P

G
x
C

R
|
R

G

G

P

S

L

V

I

V

D

D

D

E

D

A

A

A

L

V

L

L

A

A

L

L

D

E

S

R

G

G

Q

Q

I

L

G

G

H

G

A

Y

T

A

L

A

D
|
D

V

V

F

F

R

E

I

M

E
|
E

-

D

-

W

-

A

-

R

-

A

-

D

-

R

P

P

L

Q

P

Q

M

I

D

D

H

P

P

A

Y

L

W

L

A

A

H

H

P

P

R

N

V

T

T

L

V

F

T

T

P

P

H
|
H

I

I

A

G

A

S

E

A

T

V

R

R

P

A

-

V

-

R

L

L

T

E

A

I

A

E

R

R

V

C

I

A

A

A

D

Q

N

N

I

I

R

L

R

Q

G

A

E

L

A

A

E

G

A

E

P

R

F

P

L

I

H

N

Q

A

V

V

D

N

R

R

active site: R237 (= R223), D261 (= D247), E266 (= E252), H292 (= H271)
binding nicotinamide-adenine-dinucleotide: G154 (= G141), A155 (= A142), I156 (≠ L143), A175 (≠ S164), R176 (≠ K165), L208 (= L194), P209 (= P195), T214 (= T200), P235 (= P221), C236 (≠ G222), R237 (= R223), H292 (= H271)

Sites not aligning to the query:

active site: 100
binding nicotinamide-adenine-dinucleotide: 76, 100, 104

4e5mA Thermostable phosphite dehydrogenase e175a/a176r in complex with NADP (see paper)
34% identity, 55% coverage: 135:304/308 of query aligns to 148:327/329 of 4e5mA

query
sites
4e5mA

V

V

T

G

V

F

L

L

G

G

L

M

G
|
G

A
|
A

L
x
I

G

G

Q

L

A

A

C

M

A

A

S

D

M

R

L

L

A

Q

T

-

L

-

G

G

F

W

P

G

V

A

T

T

G

L

W

Q

S

Y

R

H

S

A

K
x
R

K

K

S

A

I

L

D

D

G

T

I

Q

T

T

C

E

R

Q

H

R

G

-

D

-

D

L

G

G

L

L

R

R

-

Q

-

V

-

A

-

C

-

S

D

E

A

L

L

F

A

A

T

S

A

S

Q

D

I

F

V

I

I

L

L

L

L

A

L
|
L

P
|
P

D

L

T

N

H

A

A

D

T
|
T

E

L

N

H

T

L

L

V

N

N

S

A

D

E

T

L

L

L

A

A

L

L

L

V

P

R

K

P

G

G

A

A

R

L

I

L

I

V

N

N

P
|
P

G
x
C

R
|
R

G

G

P

S

L

V

I

V

D

D

D

E

D

A

A

A

L

V

L

L

A

A

L

L

D

E

S

R

G

G

Q

Q

I

L

G

G

H

G

A

Y

T

A

L

A

D
|
D

V

V

F

F

R

E

I

M

E
|
E

-

D

-

W

-

A

-

R

-

A

-

D

-

R

P

P

L

Q

P

Q

M

I

D

D

H

P

P

A

Y

L

W

L

A

A

H

H

P

P

R

N

V

T

T

L

V

F

T

T

P

P

H
|
H

I

I

A
x
G

A

S

E

A

T

V

R

R

P

A

-

V

-

R

L

L

T

E

A

I

A

E

R

R

V

C

I

A

A

A

D

Q

N

N

I

I

R

L

R

Q

G

A

E

L

A

A

E

G

A

E

P

R

F

P

L

I

H

N

Q

A

V

V

D

N

R

R

active site: R237 (= R223), D261 (= D247), E266 (= E252), H292 (= H271)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G154 (= G141), A155 (= A142), I156 (≠ L143), R176 (≠ K165), L208 (= L194), P209 (= P195), T214 (= T200), P235 (= P221), C236 (≠ G222), R237 (= R223), H292 (= H271), G294 (≠ A273)

Sites not aligning to the query:

active site: 100
binding nadp nicotinamide-adenine-dinucleotide phosphate: 76, 100, 104

4e5kA Thermostable phosphite dehydrogenase in complex with NAD and sulfite (see paper)
34% identity, 55% coverage: 135:304/308 of query aligns to 148:327/329 of 4e5kA

query
sites
4e5kA

V

V

T

G

V

F

L

L

G
|
G

L

M

G
|
G

A
|
A

L
x
I

G

G

Q

L

A

A

C

M

A

A

S

D

M

R

L

L

A

Q

T

-

L

-

G

G

F

W

P

G

V

A

T

T

G

L

W

Q

S

Y

R
x
H

S
x
E

K
x
A

K

K

S

A

I

L

D

D

G

T

I

Q

T

T

C

E

R

Q

H

R

G

-

D

-

D

L

G

G

L

L

R

R

-

Q

-

V

-

A

-

C

-

S

D

E

A

L

L

F

A

A

T

S

A

S

Q

D

I

F

V

I

I

L

L

L

L
x
A

L
|
L

P
|
P

D

L

T

N

H

A

A

D

T

T

E

L

N

H

T

L

L

V

N

N

S

A

D

E

T

L

L

L

A

A

L

L

L

V

P

R

K

P

G

G

A

A

R

L

I

L

I

V

N

N

P
|
P

G
x
C

R
|
R

G

G

P

S

L

V

I

V

D

D

D

E

D

A

A

A

L

V

L

L

A

A

L

L

D

E

S

R

G

G

Q

Q

I

L

G

G

H

G

A

Y

T

A

L

A

D
|
D

V

V

F

F

R

E

I

M

E
|
E

-

D

-

W

-

A

-

R

-

A

-

D

-

R

P

P

L

Q

P

Q

M

I

D

D

H

P

P

A

Y

L

W

L

A

A

H

H

P

P

R

N

V

T

T

L

V

F

T

T

P

P

H
|
H

I

I

A
x
G

A

S

E

A

T

V

R

R

P

A

-

V

-

R

L

L

T

E

A

I

A

E

R

R

V

C

I

A

A

A

D

Q

N

N

I

I

R

L

R

Q

G

A

E

L

A

A

E

G

A

E

P

R

F

P

L

I

H

N

Q

A

V

V

D

N

R

R

active site: R237 (= R223), D261 (= D247), E266 (= E252), H292 (= H271)
binding nicotinamide-adenine-dinucleotide: G152 (= G139), G154 (= G141), A155 (= A142), I156 (≠ L143), H174 (≠ R163), E175 (≠ S164), A176 (≠ K165), A207 (≠ L193), L208 (= L194), P209 (= P195), P235 (= P221), C236 (≠ G222), R237 (= R223), D261 (= D247), H292 (= H271), G294 (≠ A273)
binding sulfite ion: R237 (= R223), H292 (= H271)

Sites not aligning to the query:

active site: 100
binding nicotinamide-adenine-dinucleotide: 76, 77, 100, 104
binding sulfite ion: 53, 75, 76, 77, 100

1wwkA Crystal structure of phosphoglycerate dehydrogenase from pyrococcus horikoshii ot3
42% identity, 31% coverage: 180:276/308 of query aligns to 187:283/304 of 1wwkA

query
sites
1wwkA

L

L

R

E

D

T

A

L

L

L

A

K

T

E

A

S

Q

D

I

V

V

V

I

T

L

I

L

H

L
x
V

P
|
P

D

L

T

V

H

E

A

S

T
|
T

E

Y

N

H

T

L

L

I

N

N

S

E

D

E

T

R

L

L

A

K

L

L

L

M

P

K

K

K

G

T

A

A

R

I

I

L

I

I

N

N

P
x
T

G
x
S

R
|
R

G

G

P

P

L

V

I

V

D

D

D

T

D

N

A

A

L

L

L

V

A

K

A

A

L

L

D

K

S

E

G

G

Q

W

I

I

G

A

H

G

A

A

T

G

L

L

D
|
D

V

V

F

F

R

E

I

E

E
|
E

P

P

L

L

P

P

M

K

D

D

H

H

P

P

Y

L

W

T

A

K

H

F

P

D

R

N

V

V

T

V

V

L

T

T

P

P

H
|
H

I

I

A
x
G

A

A

E

S

T

T

active site: R230 (= R223), D254 (= D247), E259 (= E252), H278 (= H271)
binding nicotinamide-adenine-dinucleotide: V201 (≠ L194), P202 (= P195), T207 (= T200), T228 (≠ P221), S229 (≠ G222), D254 (= D247), H278 (= H271), G280 (≠ A273)

Sites not aligning to the query:

active site: 96
binding nicotinamide-adenine-dinucleotide: 100, 146, 147, 148, 149, 150, 168, 169, 170

5v6qB Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase smc04462 (smghrb) from sinorhizobium meliloti in complex with NADP and malonate (see paper)
35% identity, 51% coverage: 119:276/308 of query aligns to 124:282/319 of 5v6qB

query
sites
5v6qB

Q

Q

D

G

R

R

W

W

E

V

-

R

-

E

-

G

-

A

-

F

P

P

V

L

V

S

P

P

P

L

L

S

A

L

E

R

E

G

R

R

P

T

V

V

T

G

V

L

L
x
F

G

G

L
|
L

G
|
G

A
x
R

L
x
I

G

G

Q

L

A

A

C

I

A

A

S

R

M

R

L

L

A

E

T

A

L

F

G

G

F

V

P

S

V

I

T

A

G

Y

W

H

S
x
T

R
|
R

S

T

K

P

K

R

S

E

I

G

D

L

G

G

I

F

T

T

C

Y

R

H

H

P

G

T

D

L

D

V

G

G

L

M

R

A

D

E

A

A

L

V

A

D

T

T

A

-

Q

-

I

-

V

L

I

I

L

V

L

I

L
x
V

P
|
P

D

G

T

T

H

A

A
x
S

T
|
T

E

L

N

K

T

A

L

V

N

N

S

A

D

D

T

V

L

L

-

S

A

A

L

L

L

G

P

P

K

K

G

G

A

V

R

-

I

L

I

I

N

N

P
x
V

G
|
G

R
|
R

G

G

P

S

L

T

I

V

D

D

D

E

D

A

A

A

L

L

L

V

A

T

A

A

L

L

D

Q

S

N

G

G

Q

T

I

I

G

A

H

G

A

A

T

G

L

L

D
|
D

V

V

F

F

R

E

I

N

E
|
E

P

P

L

-

P

N

M

V

D

P

H

E

P

A

Y

L

W

L

A

S

H

F

P

P

R

N

V

V

T

S

V

L

T

L

P

P

H
|
H

I

V

A
|
A

A

S

E

A

T

S

active site: R230 (= R223), D254 (= D247), E259 (= E252), H277 (= H271)
binding nadp nicotinamide-adenine-dinucleotide phosphate: F148 (≠ L138), L150 (= L140), G151 (= G141), R152 (≠ A142), I153 (≠ L143), T172 (≠ S162), R173 (= R163), V201 (≠ L194), P202 (= P195), S206 (≠ A199), T207 (= T200), V228 (≠ P221), G229 (= G222), R230 (= R223), H277 (= H271), A279 (= A273)

Sites not aligning to the query:

active site: 96
binding nadp nicotinamide-adenine-dinucleotide phosphate: 72, 100

Query Sequence

>GFF2616 PGA1_c26570 putative glyoxylate/hydroxypyruvate reductase A
MINVQFAALPERWATYETPLRAAFAEAGLKVDLRLDHTPDEVDYVVYAPNSDLQDFTPYT
RCKAVLSLWAGVEKIVGNRTLTMPLCRMVDPGLTAGMVEWVTGHVLRYHLNIDRTIHTQD
RWEPVVPPLAEERPVTVLGLGALGQACASMLATLGFPVTGWSRSKKSIDGITCRHGDDGL
RDALATAQIVILLLPDTHATENTLNSDTLALLPKGARIINPGRGPLIDDDALLAALDSGQ
IGHATLDVFRIEPLPMDHPYWAHPRVTVTPHIAAETRPLTAARVIADNIRRGEAEAPFLH
QVDRTLGY

Or try a new SitesBLAST search

SitesBLAST's Database

SitesBLAST's database includes (1) SwissProt entries with experimentally-supported functional features; and (2) protein structures with bound ligands, from the BioLip database.

by Morgan Price, Arkin group
Lawrence Berkeley National Laboratory