SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing RR42_RS27410 FitnessBrowser__Cup4G11:RR42_RS27410 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.
42% identity, 92% coverage: 26:319/319 of query aligns to 20:315/315 of 5vg6B

query
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5vg6B

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active site: M98 (= M100), R230 (= R234), D254 (= D258), E259 (= E263), H278 (= H282)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: A74 (= A75), R92 (= R94), M102 (= M104), L147 (= L149), G148 (= G150), D149 (≠ T151), L150 (= L152), W168 (= W170), S169 (= S171), R170 (= R172), T171 (≠ S173), K173 (= K175), L201 (= L205), P202 (= P206), T207 (= T211), V228 (= V232), R230 (= R234), H278 (= H282), A280 (= A284), S281 (≠ A285), Y315 (= Y319)

7jqhA Structure of wild type glyoxylate/hydroxypyruvate reductase a from escherichia coli in complex with phosphate and NADP+
39% identity, 97% coverage: 11:319/319 of query aligns to 4:313/313 of 7jqhA

query
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binding nadp nicotinamide-adenine-dinucleotide phosphate: A66 (= A75), R90 (= R94), M100 (= M104), A145 (≠ L149), G146 (= G150), V147 (≠ T151), L148 (= L152), W166 (= W170), S167 (= S171), R168 (= R172), T169 (≠ S173), K171 (= K175), L199 (= L205), P200 (= P206), L226 (≠ V232), A227 (≠ G233), R228 (= R234), D252 (= D258), H276 (= H282), A279 (= A285), Y313 (= Y319)

7jqiA Structure of wild type glyoxylate/hydroxypyruvate reductase a from escherichia coli in complex with alpha-ketoglutarate and NADP+
39% identity, 97% coverage: 11:319/319 of query aligns to 3:312/312 of 7jqiA

query
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7jqiA

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binding 2-oxoglutaric acid: G64 (= G74), A65 (= A75), G66 (= G76), R227 (= R234), H275 (= H282)
binding nadp nicotinamide-adenine-dinucleotide phosphate: A65 (= A75), R89 (= R94), M99 (= M104), A144 (≠ L149), G145 (= G150), V146 (≠ T151), L147 (= L152), W165 (= W170), S166 (= S171), R167 (= R172), T168 (≠ S173), K170 (= K175), L198 (= L205), P199 (= P206), L225 (≠ V232), R227 (= R234), H275 (= H282), A278 (= A285), Y312 (= Y319)

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, 97% coverage: 11:319/319 of query aligns to 3:312/312 of 6p35A

query
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6p35A

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K

A

G

A

A

T

M

L

L

D

D

A

V

F

F

Q

N

H

R

E

E

P

P

L

L

P

P

S

P

G

E

H

S

P

P

F

L

W

W

R

Q

H

H

P

P

R

R

I

V

N

T

V

I

T

T

P

P

H
|
H

V

V

A
|
A

R

I

T
|
T

D

R

P

P

A

A

T

E

I

A

A

V

R

E

Q

Y

T

I

L

S

D

R

N

T

L

I

A

A

Q

Q

L

L

R

E

R

K

G

G

Q

E

R

K

P

V

A

C

V

G

A

Q

V

V

D

D

P

R

A

A

Q

R

G

G

Y
|
Y

binding nadp nicotinamide-adenine-dinucleotide phosphate: A65 (= A75), R89 (= R94), M99 (= M104), A144 (≠ L149), G145 (= G150), V146 (≠ T151), L147 (= L152), W165 (= W170), S166 (= S171), R167 (= R172), T168 (≠ S173), K170 (= K175), L198 (= L205), P199 (= P206), L225 (≠ V232), R227 (= R234), H275 (= H282), A277 (= A284), A278 (= A285), Y312 (= Y319)
binding 5-[(diaminomethylidene)amino]-2-oxopentanoic acid: F10 (≠ L18), D11 (= D19), W15 (≠ L23), A65 (= A75), R227 (= R234), H275 (= H282), T280 (= T287)

4z0pA Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase smc02828 (smghra) from sinorhizobium meliloti in complex with NADPH and oxalate (see paper)
41% identity, 86% coverage: 45:319/319 of query aligns to 41:316/316 of 4z0pA

query
sites
4z0pA

L

L

D

S

D

G

I

I

D

D

A

Y

A

A

V

V

C

V

W
|
W

A

K

P

S

P

A

P

P

G

D

L

L

L

F

A

S

A

R

M

A

P

P

K

D

L

L

R

K

L

V

V

V

Q

F

S

S

L

G

G
|
G

A
|
A

G
|
G

I

V

D

D

H

H

L

V

R

L

S

T

D

L

P

P

D

G

L

L

P

P

P

D

G

V

P

P

T

L

V

V

C

-

R
|
R

I

F

V

V

D

D

T

R

A

T

M
x
L

A

T

G

T

T

R

M
|
M

T

S

A

E

Y

W

V

V

T

M

W

M

A

Q

V

C

I

L

Q

L

H

H

Q

L

R

R

S

Q

M
x
H

G
x
R

A

A

Y

Y

L

E

A

A

S

L

A

A

A

K

G

H

Q

E

W

W

Q

R

E

D

Q

L

P

S

I

Q

V

P

A

E

P

A

S

A

R

D

H

V

R

T

V

V

G

G

I

I

A

M

G

G

L
x
M

G
|
G

T
x
V

L
|
L

G

G

I

Q

A

D

S

A

A

A

R

R

A

K

L

L

Q

A

A

A

V

M

G

G

Y

F

A

K

V

V

R

I

G

G

W
|
W

S
|
S

R
|
R

S
|
S

P

K

K
x
R

A

-

D

-

L

V

P

I

E

E

G

G

V

V

Q

E

A

T

F

Y

H

D

G

A

Q

A

D

-

G

G

L

L

D

D

A

A

F

F

L

L

A

G

G

R

C

T

D

D

A

F

L

L

V

V

C

G

L

L

L
|
L

P
|
P

L

L

T

T

A

P

Q

D

T

T

Q

R

G

G

F

I

L

F

C

N

A

A

D

A

L

L

F

F

A

A

R

K

L

L

P

S

R

R

G

N

A

G

-

P

-

F

-

G

-

A

-

P

H

V

L

F

I

I

N

N

V
x
A

G
|
G

R
|
R

G

G

S

G

H

S

L

Q

V

V

E

E

A

A

D

D

L

I

L

L

R

E

A

C

L

L

D

D

D

S

G

G

T

V

L

L

G
|
G

A

G

A

A

T

S

L

L

D
|
D

A

V

F

F

Q

E

H

R

E
|
E

P

P

L

L

P

S

S

P

G

E

H

S

P

R

F

F

W

W

R

D

H

M

P

P

R

N

I

V

N

Y

V

V

T

T

P

P

H
|
H

V

V

A
|
A

R

S

T

S

D

D

P

V

A

R

T

A

I

L

A

F

R

V

Q

H

T

V

L

E

D

H

N

Q

L

I

A

A

Q

R

L

F

R

E

R

S

G

G

Q

L

R

P

P

L

A

E

V

H

A

V

V

V

D

D

P

K

A

V

Q

A

G

G

Y
|
Y

active site: L95 (≠ M100), R231 (= R234), G250 (= G253), D255 (= D258), E260 (= E263), H279 (= H282)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: R89 (= R94), M99 (= M104), M144 (≠ L149), G145 (= G150), V146 (≠ T151), L147 (= L152), W165 (= W170), S166 (= S171), R167 (= R172), S168 (= S173), R170 (≠ K175), L197 (= L205), P198 (= P206), A229 (≠ V232), G230 (= G233), R231 (= R234), H279 (= H282), A281 (= A284), A282 (= A285), Y316 (= Y319)
binding oxalic acid: W50 (= W54), G70 (= G74), A71 (= A75), G72 (= G76), H114 (≠ M119), R115 (≠ G120), R231 (= R234), H279 (= H282)

4weqA Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase smc02828 (smghra) from sinorhizobium meliloti in complex with NADP and sulfate (see paper)
41% identity, 86% coverage: 45:319/319 of query aligns to 41:316/316 of 4weqA

query
sites
4weqA

L

L

D

S

D

G

I

I

D

D

A

Y

A

A

V

V

C

V

W

W

A

K

P

S

P

A

P

P

G

D

L

L

L

F

A

S

A

R

M

A

P

P

K

D

L

L

R

K

L

V

V

V

Q

F

S

S

L

G

G

G

A

A

G

G

I

V

D

D

H

H

L

V

R

L

S

T

D

L

P

P

D

G

L

L

P

P

P

D

G

V

P

P

T

L

V

V

C

-

R
|
R

I

F

V

V

D

D

T

R

A

T

M
x
L

A

T

G

T

T

R

M
|
M

T

S

A

E

Y

W

V

V

T

M

W

M

A

Q

V

C

I

L

Q

L

H

H

Q

L

R

R

S

Q

M

H

G

R

A

A

Y

Y

L

E

A

A

S

L

A

A

A

K

G

H

Q

E

W

W

Q

R

E

D

Q

L

P

S

I

Q

V

P

A

E

P

A

S

A

R

D

H

V

R

T

V

V

G

G

I

I

A

M

G

G

L
x
M

G
|
G

T
x
V

L
|
L

G

G

I

Q

A

D

S

A

A

A

R

R

A

K

L

L

Q

A

A

A

V

M

G

G

Y

F

A

K

V

V

R

I

G

G

W
|
W

S
|
S

R
|
R

S
|
S

P

K

K
x
R

A

-

D

-

L

V

P

I

E

E

G

G

V

V

Q

E

A

T

F

Y

H

D

G

A

Q

A

D

-

G

G

L

L

D

D

A

A

F

F

L

L

A

G

G

R

C

T

D

D

A

F

L

L

V

V

C

G

L

L

L
|
L

P
|
P

L

L

T

T

A

P

Q

D

T

T

Q

R

G

G

F

I

L

F

C

N

A

A

D

A

L

L

F

F

A

A

R

K

L

L

P

S

R

R

G

N

A

G

-

P

-

F

-

G

-

A

-

P

H

V

L

F

I

I

N

N

V
x
A

G
|
G

R
|
R

G

G

S

G

H

S

L

Q

V

V

E

E

A

A

D

D

L

I

L

L

R

E

A

C

L

L

D

D

D

S

G

G

T

V

L

L

G
|
G

A

G

A

A

T

S

L

L

D
|
D

A

V

F

F

Q

E

H

R

E
|
E

P

P

L

L

P

S

S

P

G

E

H

S

P

R

F

F

W

W

R

D

H

M

P

P

R

N

I

V

N

Y

V

V

T

T

P

P

H
|
H

V

V

A
|
A

A

A

R

S

T

S

D

D

P

V

A

R

T

A

I

L

A

F

R

V

Q

H

T

V

L

E

D

H

N

Q

L

I

A

A

Q

R

L

F

R

E

R

S

G

G

Q

L

R

P

P

L

A

E

V

H

A

V

V

V

D

D

P

K

A

V

Q

A

G

G

Y
|
Y

active site: L95 (≠ M100), R231 (= R234), G250 (= G253), D255 (= D258), E260 (= E263), H279 (= H282)
binding nadp nicotinamide-adenine-dinucleotide phosphate: R89 (= R94), M99 (= M104), M144 (≠ L149), G145 (= G150), V146 (≠ T151), L147 (= L152), W165 (= W170), S166 (= S171), R167 (= R172), S168 (= S173), R170 (≠ K175), L197 (= L205), P198 (= P206), A229 (≠ V232), G230 (= G233), R231 (= R234), D255 (= D258), H279 (= H282), A281 (= A284), Y316 (= Y319)

3kboA 2.14 angstrom crystal structure of putative oxidoreductase (ycdw) from salmonella typhimurium in complex with NADP
39% identity, 93% coverage: 22:319/319 of query aligns to 14:312/312 of 3kboA

query
sites
3kboA

Y

W

L

W

V

V

P

N

A

A

F

L

R

E

A

K

A

A

A

L

P

P

G

H

L

A

D

R

L

V

R

R

V

E

G

W

P

-

D

K

L

V

G

G

A

D

L
x
N

D

N

D

P

I

A

D

D

A

Y

A

A

V

L

C

V

W

W

A

Q

P

P

P

V

G

E

L

M

L

L

A
|
A

A

G

M
x
R

P

-

K
x
R

L

L

R

K

L

A

V

V

Q

F

S

V

L

L

G

G

A

A

G

G

I

V

D

D

H

A

L

I

R

L

S

S

D

K

P

L

D

N

L

A

P

H

P

P

-

E

-

M

-

L

-

D

-

A

G

S

P

I

T

P

V

L

C

F

R
|
R

I

L

V

E

D

D

T

T

A

G

M
|
M

A

G

G

L

T

Q

M
|
M

T

Q

A

E

Y

Y

V

A

T

V

W

S

A

Q

V

V

I

L

Q

H

H

W

Q

F

R

R

S

R

M

F

G

D

A

D

Y

Y

L

Q

A

A

S

L

A

K

A

N

A

Q

G

A

Q

L

W

W

Q

K

E

P

Q

L

P

P

I

E

V

Y

A

T

P

R

S

E

R

E

H

F

R

S

V

V

G

G

I

I

A

M

G
|
G

L
x
A

G
|
G

T
x
V

L
|
L

G

G

I

A

A

K

S

V

A

A

R

E

A

S

L

L

Q

Q

A

A

V

W

G

G

Y

F

A

P

V

L

R

R

G

C

W
|
W

S
|
S

R
|
R

S
|
S

P

R

K
|
K

A

S

D

-

L

W

P

P

E

-

G

G

V

V

Q

E

A

S

F

Y

H

V

G

G

Q

R

D

E

G

E

L

L

D

R

A

A

F

F

L

L

A

N

G

Q

C

T

D

R

A

V

L

L

V

I

C

N

L
|
L

L

L

P
|
P

L

N

T

T

A

A

Q

Q

T

T

Q

V

G

G

F

I

L

I

C

N

A

S

D

E

L

L

F

L

A

D

R

Q

L

L

P

P

R

D

G

G

A

A

H

Y

L

V

I

L

N

N

V
x
L

G
x
A

R
|
R

G

G

S

V

H

H

L

V

V

Q

E

E

A

A

D

D

L

L

R

A

A

A

L

L

D

D

D

S

G

G

T

K

L

L

G

K

A

G

A

A

T

M

L

L

D
|
D

A

V

F

F

Q

S

H

Q

E
|
E

P

P

L

L

P

P

S

Q

G

E

H

S

P

P

F

L

W

W

R

R

H

H

P

P

R

R

I

V

N

A

V

M

T

T

P

P

H
|
H

V

I

A

A

A
|
A

R

V

T

T

D

R

P

P

A

A

T

E

I

A

A

I

R

D

Q

Y

T

I

L

S

D

R

N

T

L

I

A

T

Q

Q

L

L

R

E

R

K

G

G

Q

E

R

P

P

V

A

T

V

G

A

Q

V

V

D

D

P

R

A

A

Q

R

G

G

Y
|
Y

active site: M95 (= M100), R227 (= R234), E256 (= E263), H275 (= H282)
binding N-(2-hydroxyethyl)-N,N-dimethyl-3-sulfopropan-1-aminium: N36 (≠ L45), A53 (= A62), R55 (≠ M64), R56 (≠ K66)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: R89 (= R94), M99 (= M104), G143 (= G148), A144 (≠ L149), G145 (= G150), V146 (≠ T151), L147 (= L152), W165 (= W170), S166 (= S171), R167 (= R172), S168 (= S173), K170 (= K175), L197 (= L204), P199 (= P206), L225 (≠ V232), A226 (≠ G233), R227 (= R234), D251 (= D258), H275 (= H282), A278 (= A285), Y312 (= Y319)

4zqbB Crystal structure of NADP-dependent dehydrogenase from rhodobactersphaeroides in complex with NADP and sulfate
41% identity, 86% coverage: 47:319/319 of query aligns to 47:316/316 of 4zqbB

query
sites
4zqbB

D

E

I

V

D

D

A

I

A

A

V

I

C

V

W

A

A

N

P

P

P

D

P

P

G

A

L

D

L

L

A

A

A

E

M

L

P

P

K

N

L

L

R

V

L

W

V

I

Q

H

S

S

L

L

G

W

A

A

G

G

I

V

D

E

H

R

L

L

R

V

S

A

D

E

P

L

D

G

L

H

P

L

P

A

G

R

P

P

T

I

V

V

C

-

R
|
R

I

L

V

V

D

D

T

P

A

E

M
x
L

A

A

G

R

T

T

M
|
M

-

A

T

E

A

A

Y

A

V

L

T

A

W

W

A

T

V

Y

I

Y

Q

L

H

F

Q

-

R

R

S

D

M

M

G

P

A

A

Y

Y

L

A

A

A

S

Q

A

Q

A

R

A

A

G

R

Q

V

W

W

Q

K

E

G

Q

L

P

P

I

Y

V

K

A

R

P

P

S

E

R

R

H

T

R

T

V

V

G

G

I

V

A

L

G
|
G

L
|
L

G
|
G

T
x
E

L
|
L

G

G

I

A

A

A

S

A

A

A

R

L

A

R

L

L

Q

R

A

D

V

A

G

G

Y

F

A

D

V

V

R

H

G

G

W
|
W

S
|
S

R
|
R

S
|
S

P

P

K
|
K

A

E

D

I

L

-

P

-

E

A

G

G

V

V

Q

T

A

C

F

H

H

A

G

G

Q

E

D

E

G

T

L

L

D

E

A

R

F

M

L

L

A

G

G

Q

C

V

D

E

A

I

L

L

V

V

C

C

L

L

L
|
L

P
|
P

L

L

T

T

A

G

Q

E

T

T

Q

R

G

G

F

L

L

L

C

D

A

A

D

R

L

R

F

L

A

A

R

C

L

L

P

P

R

E

G

G

A

A

H

Q

L

I

I

V

N

N

V
x
F

G

A

R
|
R

G

G

S

P

H

I

L

L

V

D

E

S

A

A

D

A

L

L

L

I

R

E

A

A

L

L

D

D

D

S

G

G

T

R

L

I

G

G

A

H

A

A

T

V

L

L

D

D

A

V

F

F

Q

E

H

V

E
|
E

P

P

L

L

P

P

S

E

G

A

H

S

P

P

F

F

W

W

R

G

H

H

P

P

R

K

I

V

N

T

V

V

T

L

P

P

H
|
H

V

I

A
x
S

A
|
A

R

A

T

T

D

D

P

P

A

E

T

T

I

A

A

S

R

A

Q

I

T

V

L

G

D

A

N

H

L

V

A

A

Q

D

L

Y

R

R

R

A

G

T

Q

G

R

R

P

I

A

P

V

P

A

S

V

V

D

D

P

L

A

T

Q

R

G

G

Y
|
Y

active site: L99 (≠ M100), R231 (= R234), E260 (= E263), H279 (= H282)
binding nadp nicotinamide-adenine-dinucleotide phosphate: R93 (= R94), M103 (= M104), G147 (= G148), L148 (= L149), G149 (= G150), E150 (≠ T151), L151 (= L152), W169 (= W170), S170 (= S171), R171 (= R172), S172 (= S173), K174 (= K175), L202 (= L205), P203 (= P206), F229 (≠ V232), R231 (= R234), H279 (= H282), S281 (≠ A284), A282 (= A285), Y316 (= Y319)

5tsdA Crystal structure of NADPH-dependent 2-hydroxyacid dehydrogenase from rhizobium etli cfn 42 in complex with NADPH and oxalate
35% identity, 86% coverage: 45:319/319 of query aligns to 41:316/316 of 5tsdA

query
sites
5tsdA

L

F

D

S

D

E

I

T

D

E

A

Y

A

A

V

L

C

L

W
|
W

A

K

P

P

P

D

P

A

G

D

L

L

L

F

A

R

M

A

P

P

K

N

L

L

R

K

L

V

V

I

Q

F

S

S

L

G

G
|
G

A
|
A

G
|
G

I

V

D

D

H

H

L

I

R

I

S

G

D

M

P

A

D

G

L

L

P

P

P

D

G

I

P

P

T

-

V

I

C

V

R
|
R

I

F

V

V

D

D

T

R

A

S

M

L

A

T

G

T

T

R

M
|
M

T

S

A

E

Y

W

V

V

T

V

W

M

A

Q

V

C

I

L

Q

M

H

H

Q

L

R

R

S

G

M

Q

G

Y

A

G

Y

H

L

D

A

S

S

H

A

Q

A

R

G

R

Q

E

W

W

Q

A

E

K

Q

-

P

-

I

L

V

I

A

A

P

P

-

E

-

A

S

A

R

E

H

V

R

T

V

V

G

G

I

V

A

M

G
|
G

L
|
L

G
|
G

T
x
I

L
|
L

G

G

I

Q

A

D

S

A

A

V

R

A

A

K

L

L

Q

K

A

V

V

M

G

G

Y

F

A

N

V

V

R

I

G

G

W
|
W

S
|
S

R
|
R

S
x
T

P

R

K
|
K

A

T

D

-

L

-

P

I

E

E

G

G

V

V

Q

E

A

T

F

F

H

D

G

A

Q

G

D

E

G

-

L

L

D

D

A

R

F

F

L

L

A

A

G

K

C

T

D

D

A

I

L

L

V

V

C

G

L

L

L
|
L

P
|
P

L

L

T

T

A

P

Q

E

T

T

Q

T

G

G

F

F

L

Y

C

D

A

S

D

E

L

L

F

F

A

K

R

K

L

L

P

R

R

R

G

D

A

G

H

A

L

L

-

G

-

Q

-

P

-

V

-

F

I

I

N

N

V
x
A

G
|
G

R
|
R

G

G

S

K

H

S

L

Q

V

I

E

E

A

T

D

D

L

I

L

V

R

S

A

A

L

V

D

R

D

E

G

G

T

T

L

L

G

G

A

G

A

A

T

S

L

L

D
|
D

A

V

F

F

Q

E

H

V

E
|
E

P

P

L

L

P

A

S

T

G

D

H

S

P

P

F

L

W

W

R

E

H

L

P

E

R

N

I

V

N

F

V

I

T

T

P

P

H
|
H

V

D

A

A

R

V

T

S

D

E

P

E

A

N

T

A

I

L

A

F

R

R

Q

H

T

V

L

E

D

M

N

Q

L

I

A

A

Q

R

L

F

R

E

R

R

G

G

Q

E

R

P

P

L

A

Q

V

F

A

V

V

I

D

D

P

R

A

A

Q

A

G

G

Y
|
Y

active site: E260 (= E263), H279 (= H282)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: A71 (= A75), R89 (= R94), M99 (= M104), G143 (= G148), L144 (= L149), G145 (= G150), I146 (≠ T151), L147 (= L152), W165 (= W170), S166 (= S171), R167 (= R172), T168 (≠ S173), K170 (= K175), L197 (= L205), P198 (= P206), A229 (≠ V232), G230 (= G233), R231 (= R234), D255 (= D258), H279 (= H282), Y316 (= Y319)
binding oxalic acid: W50 (= W54), G70 (= G74), A71 (= A75), G72 (= G76), R231 (= R234), H279 (= H282)

5bqfA Probable 2-hydroxyacid dehydrogenase from rhizobium etli cfn 42 in complex with NADP, hepes and l(+)-tartaric acid
35% identity, 86% coverage: 45:319/319 of query aligns to 42:317/317 of 5bqfA

query
sites
5bqfA

L

F

D

S

D

E

I

T

D

E

A

Y

A

A

V

L

C

L

W

W

A

K

P

P

P

D

P

A

G

D

L

L

L

F

A

R

M

A

P

P

K

N

L

L

R

K

L

V

V

I

Q

F

S

S

L

G

G

G

A
|
A

G

G

I

V

D

D

H

H

L

I

R

I

S

G

D

M

P

A

D

G

L

L

P

P

P

D

G

I

P

P

T

-

V

I

C

V

R
|
R

I

F

V

V

D

D

T

R

A

S

M

L

A

T

G

T

T

R

M
|
M

T

S

A

E

Y

W

V

V

T

V

W

M

A

Q

V

C

I

L

Q

M

H

H

Q

L

R

R

S

G

M

Q

G

Y

A

G

Y

H

L

D

A

S

S

H

A

Q

A

R

G

R

Q

E

W

W

Q

A

E

K

Q

-

P

-

I

L

V

I

A

A

P

P

S

E

-

A

R

E

H

V

R

T

V

V

G

G

I

V

A

M

G
|
G

L
|
L

G
|
G

T
x
I

L
|
L

G

G

I

Q

A

D

S

A

A

V

R

A

A

K

L

L

Q

K

A

V

V

M

G

G

Y

F

A

N

V

V

R

I

G

G

W
|
W

S
|
S

R
|
R

S
x
T

P

R

K

K

A

T

D

-

L

-

P

I

E

E

G

G

V

V

Q

E

A

T

F

F

H

D

G

A

Q

G

D

E

G

-

L

L

D

D

A

R

F

F

L

L

A

A

G

K

C

T

D

D

A

I

L

L

V

V

C

G

L

L

L
|
L

P
|
P

L

L

T

T

A

P

Q

E

T

T

Q

T

G

G

F

F

L

Y

C

D

A

S

D

E

L

L

F

F

A

K

R

K

L

L

P

R

R

R

G

D

A

G

H

A

L

L

-

G

-

Q

-

P

-

V

-

F

I

I

N

N

V
x
A

G
|
G

R
|
R

G

G

S

K

H

S

L

Q

V

I

E

E

A

T

D

D

L

I

L

V

R

S

A

A

L

V

D

R

D

E

G

G

T

T

L

L

G

G

A

G

A

A

T

S

L

L

D

D

A

V

F

F

Q

E

H

V

E
|
E

P

P

L

L

P

A

S

T

G

D

H

S

P

P

F

L

W

W

R

E

H

L

P

E

R

N

I

V

N

F

V

I

T

T

P

P

H
|
H

V

D

A

A

A
|
A

R

V

T

S

D

E

P

E

A

N

T

A

I

L

A

F

R

R

Q

H

T

V

L

E

D

M

N

Q

L

I

A

A

Q

R

L

F

R

E

R

R

G

G

Q

E

R

P

P

L

A

Q

V

F

A

V

V

I

D

D

P

R

A

A

Q

A

G

G

Y
|
Y

active site: E261 (= E263), H280 (= H282)
binding nadp nicotinamide-adenine-dinucleotide phosphate: A72 (= A75), R90 (= R94), M100 (= M104), G144 (= G148), L145 (= L149), G146 (= G150), I147 (≠ T151), L148 (= L152), W166 (= W170), S167 (= S171), R168 (= R172), T169 (≠ S173), L198 (= L205), P199 (= P206), A230 (≠ V232), G231 (= G233), R232 (= R234), H280 (= H282), A283 (= A285), Y317 (= Y319)

4xcvA Probable 2-hydroxyacid dehydrogenase from rhizobium etli cfn 42 in complex with NADPH
35% identity, 86% coverage: 45:319/319 of query aligns to 42:317/317 of 4xcvA

query
sites
4xcvA

L

F

D

S

D

E

I

T

D

E

A

Y

A

A

V

L

C

L

W

W

A

K

P

P

P

D

P

A

G

D

L

L

L

F

A

R

M

A

P

P

K

N

L

L

R

K

L

V

V

I

Q

F

S

S

L

G

G

G

A
|
A

G

G

I

V

D

D

H

H

L

I

R

I

S

G

D

M

P

A

D

G

L

L

P

P

P

D

G

I

P

P

T

-

V

I

C

V

R
|
R

I

F

V

V

D

D

T

R

A

S

M

L

A

T

G

T

T

R

M
|
M

T

S

A

E

Y

W

V

V

T

V

W

M

A

Q

V

C

I

L

Q

M

H

H

Q

L

R

R

S

G

M

Q

G

Y

A

G

Y

H

L

D

A

S

S

H

A

Q

A

R

G

R

Q

E

W

W

Q

A

E

K

Q

-

P

-

I

L

V

I

A

A

P

P

S

E

-

A

R

E

H

V

R

T

V

V

G

G

I

V

A

M

G
|
G

L
|
L

G
|
G

T
x
I

L
|
L

G

G

I

Q

A

D

S

A

A

V

R

A

A

K

L

L

Q

K

A

V

V

M

G

G

Y

F

A

N

V

V

R

I

G

G

W
|
W

S
|
S

R
|
R

S
x
T

P

R

K
|
K

A

T

D

-

L

-

P

I

E

E

G

G

V

V

Q

E

A

T

F

F

H

D

G

A

Q

G

D

E

G

-

L

L

D

D

A

R

F

F

L

L

A

A

G

K

C

T

D

D

A

I

L

L

V

V

C

G

L

L

L
|
L

P
|
P

L

L

T

T

A

P

Q

E

T

T

Q

T

G

G

F

F

L

Y

C

D

A

S

D

E

L

L

F

F

A

K

R

K

L

L

P

R

R

R

G

D

A

G

H

A

L

L

-

G

-

Q

-

P

-

V

-

F

I

I

N

N

V
x
A

G
|
G

R
|
R

G

G

S

K

H

S

L

Q

V

I

E

E

A

T

D

D

L

I

L

V

R

S

A

A

L

V

D

R

D

E

G

G

T

T

L

L

G

G

A

G

A

A

T

S

L

L

D

D

A

V

F

F

Q

E

H

V

E
|
E

P

P

L

L

P

A

S

T

G

D

H

S

P

P

F

L

W

W

R

E

H

L

P

E

R

N

I

V

N

F

V

I

T

T

P

P

H
|
H

V

D

A

A

A
|
A

R

V

T

S

D

E

P

E

A

N

T

A

I

L

A

F

R

R

Q

H

T

V

L

E

D

M

N

Q

L

I

A

A

Q

R

L

F

R

E

R

R

G

G

Q

E

R

P

P

L

A

Q

V

F

A

V

V

I

D

D

P

R

A

A

Q

A

G

G

Y
|
Y

active site: E261 (= E263), H280 (= H282)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: A72 (= A75), R90 (= R94), M100 (= M104), G144 (= G148), L145 (= L149), G146 (= G150), I147 (≠ T151), L148 (= L152), W166 (= W170), S167 (= S171), R168 (= R172), T169 (≠ S173), K171 (= K175), L198 (= L205), P199 (= P206), A230 (≠ V232), G231 (= G233), R232 (= R234), H280 (= H282), A283 (= A285), Y317 (= Y319)

5mh6A D-2-hydroxyacid dehydrogenases (d2-hdh) from haloferax mediterranei in complex with 2-ketohexanoic acid and NAD+ (1.35 a resolution)
33% identity, 62% coverage: 103:301/319 of query aligns to 92:296/306 of 5mh6A

query
sites
5mh6A

T

T

M

V

T

G

A

E

Y

T

V

V

T

A

W

G

A

Y

V

M

I

L

Q

T

H

F

Q

A

R

R

S

R

M

L

G

H

A

A

Y

Y

L

R

A

D

S

A

A

Q

A

H

A

D

G

H

Q

A

W

W

Q

D

-

L

-

P

-

R

-

Y

E

E

Q

E

P

P

I

F

V
x
T

A

L

P
x
A

S

G

R

E

H

-

R

R

V

V

G

C

I

V

A

V

G

G

L

L

G
|
G

T
|
T

L
|
L

G

G

I

R

A

G

S

V

A

V

R

D

A

R

L

A

Q

A

A

A

V

L

G

G

Y

M

A

E

V

V

R

V

G

G

W

V

S

R

R
|
R

S

S

P

-

K

-

A

G

D

D

L

P

P

V

E

D

G

N

V

V

Q

S

A

T

F

V

H

Y

G

T

Q

P

D

D

G

R

L

L

D

H

A

E

F

A

L

I

A

A

G

D

C

A

D

R

A

F

L

V

V

V

C

L

L

A

L

T

P
|
P

L

L

T

T

A

D

Q

E

T
|
T

Q

E

G

G

F

M

L

V

C

A

A

A

D

P

L

E

F
|
F

A
x
E

R

T

L
x
M

P

R

R

E

G

D

A

A

H

S

L

L

I

V

N

N

V
|
V

G
x
A

R
|
R

G
|
G

S
x
P

H

V

L
x
V

V

V

E
|
E

A

S

D

D

L

L

L

V

R

A

A

A

L

L

D

D

D

S

G

G

T
x
D

L

I

G

A

A

G

A

A

T

A

L

L

D

D

A

V

F

F

Q
x
S

H

E

E

E

P

P

L

L

P

P

S

E

G

D

H

S

P

P

F

L

W

W

R

D

H

F

P

E

R

D

I

V

N

L

V

I

T

T

P

P

H
|
H

V

V

A
x
S

A

A

R

A

T

T

-

S

-

K

-
x
Y

-

H

-

E

D

D

P

V

A

A

T

A

I

L

A

I

R

R

Q

E

T

N

L

I

D

E

N

K

L

I

A

A

binding 2-Ketohexanoic acid: R224 (= R234), H272 (= H282), Y280 (vs. gap)
binding magnesium ion: T130 (≠ V137), A132 (≠ P139), F210 (= F220), E211 (≠ A221), M213 (≠ L223), G225 (= G235), P226 (≠ S236), V228 (≠ L238), E230 (= E240), D241 (≠ T251), S251 (≠ Q261)
binding nicotinamide-adenine-dinucleotide: G142 (= G150), T143 (= T151), L144 (= L152), R164 (= R172), P196 (= P206), T201 (= T211), V222 (= V232), A223 (≠ G233), R224 (= R234), H272 (= H282), S274 (≠ A284)

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)
33% identity, 62% coverage: 103:301/319 of query aligns to 94:298/308 of 5mhaB

query
sites
5mhaB

T

T

M

V

T

G

A

E

Y

T

V

V

T

A

W

G

A

Y

V

M

I

L

Q

T

H

F

Q

A

R

R

S

R

M

L

G

H

A

A

Y

Y

L

R

A

D

S

A

A

Q

A

H

A

D

G

H

Q

A

W

W

Q

D

-

L

-

P

-

R

-

Y

E

E

Q

E

P

P

I

F

V

T

A

L

P

A

S

G

R

E

H

-

R

R

V

V

G

C

I

V

A

V

G

G

L
|
L

G
|
G

T
|
T

L
|
L

G

G

I

R

A

G

S

V

A

V

R

D

A

R

L

A

Q

A

A

A

V

L

G

G

Y

M

A

E

V

V

R

V

G

G

W

V

S
x
R

R
|
R

S
|
S

P

-

K

-

A

G

D

D

L

P

P

V

E

D

G

N

V

V

Q

S

A

T

F

V

H

Y

G

T

Q
x
P

D

D

G

R

L

L

D

H

A

E

F

A

L

I

A

A

G

D

C

A

D

R

A

F

L

V

V

V

C

L

L

A

L
x
T

P
|
P

L

L

T

T

A

D

Q

E

T
|
T

Q

E

G

G

F

M

L

V

C

A

A

A

D

P

L

E

F
|
F

A
x
E

R

T

L
x
M

P

R

R

E

G

D

A

A

H

S

L

L

I

V

N

N

V
|
V

G
x
A

R
|
R

G

G

S

P

H

V

L

V

V

V

E

E

A

S

D

D

L

L

L

V

R

A

A

A

L

L

D

D

D

S

G

G

T
x
D

L

I

G

A

A

G

A

A

T

A

L

L

D

D

A

V

F

F

Q

S

H

E

E

E

P

P

L

L

P

P

S

E

G

D

H

S

P

P

F

L

W

W

R

D

H

F

P

E

R

D

I

V

N

L

V

I

T

T

P

P

H
|
H

V

V

A
x
S

A

A

R

A

T

T

-

S

-

K

-
x
Y

-

H

-

E

D

D

P

V

A

A

T

A

I

L

A

I

R

R

Q

E

T

N

L

I

D

E

N

K

L

I

A

A

binding 2-Ketohexanoic acid: R226 (= R234), H274 (= H282), Y282 (vs. gap)
binding (2R)-2-hydroxyhexanoic acid: Y282 (vs. gap)
binding magnesium ion: F212 (= F220), E213 (≠ A221), M215 (≠ L223), D243 (≠ T251)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: L143 (= L149), G144 (= G150), T145 (= T151), L146 (= L152), R165 (≠ S171), R166 (= R172), S167 (= S173), P180 (≠ Q188), T197 (≠ L205), P198 (= P206), T203 (= T211), V224 (= V232), A225 (≠ G233), R226 (= R234), H274 (= H282), S276 (≠ A284)

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)
33% identity, 62% coverage: 103:301/319 of query aligns to 94:298/308 of 5mhaA

query
sites
5mhaA

T

T

M

V

T

G

A

E

Y

T

V

V

T

A

W

G

A

Y

V

M

I

L

Q

T

H

F

Q

A

R

R

S

R

M

L

G

H

A

A

Y

Y

L

R

A

D

S

A

A

Q

A

H

A

D

G

H

Q

A

W

W

Q

D

-

L

-

P

-

R

-

Y

E

E

Q

E

P

P

I

F

V
x
T

A

L

P
x
A

S

G

R

E

H

-

R

R

V

V

G

C

I

V

A

V

G

G

L
|
L

G
|
G

T
|
T

L
|
L

G

G

I

R

A

G

S

V

A

V

R

D

A

R

L

A

Q

A

A

A

V

L

G

G

Y

M

A

E

V

V

R

V

G

G

W

V

S
x
R

R
|
R

S
|
S

P

-

K

-

A

G

D

D

L

P

P

V

E

D

G

N

V

V

Q

S

A

T

F

V

H

Y

G

T

Q
x
P

D

D

G

R

L

L

D

H

A

E

F

A

L

I

A

A

G

D

C

A

D

R

A

F

L

V

V

V

C

L

L

A

L
x
T

P
|
P

L

L

T

T

A

D

Q

E

T
|
T

Q

E

G

G

F

M

L

V

C

A

A

A

D

P

L

E

F

F

A

E

R

T

L

M

P

R

R

E

G

D

A

A

H

S

L

L

I

V

N

N

V
|
V

G
x
A

R
|
R

G

G

S

P

H

V

L

V

V

V

E

E

A

S

D

D

L

L

L

V

R

A

A

A

L

L

D

D

D

S

G

G

T

D

L

I

G

A

A

G

A

A

T

A

L

L

D

D

A

V

F

F

Q

S

H

E

E

E

P

P

L

L

P

P

S

E

G

D

H

S

P

P

F

L

W

W

R

D

H

F

P

E

R

D

I

V

N

L

V

I

T

T

P

P

H
|
H

V

V

A
x
S

A

A

R

A

T

T

-

S

-

K

-
x
Y

-

H

-

E

D

D

P

V

A

A

T

A

I

L

A

I

R

R

Q

E

T

N

L

I

D

E

N

K

L

I

A

A

binding 2-Ketohexanoic acid: R226 (= R234), H274 (= H282), Y282 (vs. gap)
binding magnesium ion: T132 (≠ V137), A134 (≠ P139)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: L143 (= L149), G144 (= G150), T145 (= T151), L146 (= L152), R165 (≠ S171), R166 (= R172), S167 (= S173), P180 (≠ Q188), T197 (≠ L205), P198 (= P206), T203 (= T211), V224 (= V232), A225 (≠ G233), R226 (= R234), H274 (= H282), S276 (≠ A284)

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)
33% identity, 62% coverage: 103:301/319 of query aligns to 94:298/308 of 5mh5A

query
sites
5mh5A

T

T

M

V

T

G

A

E

Y

T

V

V

T

A

W

G

A

Y

V

M

I

L

Q

T

H

F

Q

A

R

R

S

R

M

L

G

H

A

A

Y

Y

L

R

A

D

S

A

A

Q

A

H

A

D

G

H

Q

A

W

W

Q

D

-

L

-

P

-

R

-

Y

E

E

Q

E

P

P

I

F

V
x
T

A

L

P
x
A

S

G

R

E

H

-

R

R

V

V

G

C

I

V

A

V

G
|
G

L
|
L

G
|
G

T
|
T

L
|
L

G

G

I

R

A

G

S

V

A

V

R

D

A

R

L

A

Q

A

A

A

V

L

G

G

Y

M

A

E

V

V

R

V

G

G

W

V

S
x
R

R
|
R

S
|
S

P

-

K

-

A

G

D

D

L

P

P

V

E

D

G

N

V

V

Q

S

A

T

F

V

H

Y

G

T

Q

P

D

D

G

R

L

L

D

H

A

E

F

A

L

I

A

A

G

D

C

A

D

R

A

F

L

V

V

V

C

L

L

A

L
x
T

P
|
P

L

L

T

T

A

D

Q

E

T
|
T

Q

E

G

G

F

M

L

V

C

A

A

A

D

P

L

E

F
|
F

A
x
E

R

T

L
x
M

P

R

R

E

G

D

A

A

H

S

L

L

I

V

N

N

V
|
V

G
x
A

R
|
R

G

G

S

P

H

V

L

V

V

V

E

E

A

S

D

D

L

L

L

V

R

A

A

A

L

L

D

D

D

S

G

G

T
x
D

L

I

G

A

A

G

A

A

T

A

L

L

D

D

A

V

F

F

Q

S

H

E

E

E

P

P

L

L

P

P

S

E

G

D

H

S

P

P

F

L

W

W

R

D

H

F

P

E

R

D

I

V

N

L

V

I

T

T

P

P

H
|
H

V

V

A
x
S

A

A

R

A

T

T

-

S

-

K

-
x
Y

-

H

-

E

D

D

P

V

A

A

T

A

I

L

A

I

R

R

Q

E

T

N

L

I

D

E

N

K

L

I

A

A

binding 2-Ketohexanoic acid: R226 (= R234), H274 (= H282), Y282 (vs. gap)
binding magnesium ion: T132 (≠ V137), A134 (≠ P139), F212 (= F220), E213 (≠ A221), M215 (≠ L223), D243 (≠ T251)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G142 (= G148), L143 (= L149), G144 (= G150), T145 (= T151), L146 (= L152), R165 (≠ S171), R166 (= R172), S167 (= S173), T197 (≠ L205), P198 (= P206), T203 (= T211), V224 (= V232), A225 (≠ G233), R226 (= R234), H274 (= H282), S276 (≠ A284)

Sites not aligning to the query:

5j23A Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase smc04462 (smghrb) from sinorhizobium meliloti in complex with 2'-phospho-adp-ribose (see paper)
30% identity, 78% coverage: 51:300/319 of query aligns to 46:290/318 of 5j23A

query
sites
5j23A

A

A

V

V

C

S

W

G

A

K

P

L

P

P

P

V

G

P

L

L

L

M

A

D

A

A

M

F

P

P

K

S

L

L

R

E

L

I

V

V

Q

A

S

N

L

F

G

G

A
x
V

G

G

I

Y

D

D

H

G

L

V

R

D

S

V

D

S

P

R

D

A

L

A

P

A

P

R

G

G

P

I

T

V

V

V

C

T

-

N

-

T

-

P

-

D

-

V

-
x
L

-

T

-

E

R

E

I

V

V

A

D

D

T

T

A

A

M

I

A

G

G

L

T

L

M

L

T

N

A

T

Y

L

V

R

T

L

W

L

A

P

V

Q

I

A

Q

E

H

Q

Q

W

R

L

S

R

M

Q

G

G

A

R

Y

W

L

V

A

R

S

E

A

-

G

G

Q

A

W

F

Q

P

E

L

Q

S

P

P

I

L

V

S

A

L

P

R

S

G

R

R

H

T

R

-

V

V

G

G

I

L

A

F

G

G

L
|
L

G
|
G

T
x
R

L
x
I

G

G

I

L

A

A

S

I

A

A

R

R

A

R

L

L

Q

E

A

A

V

F

G

G

Y

V

A

S

V

I

R

A

G

Y

W

H

S
x
T

R
|
R

S

T

P

P

K

R

A

E

D

G

L

L

P

-

E

-

G

-

V

-

Q

-

A

G

F

F

H

T

G

Y

Q

H

D

P

G

T

L

L

D

V

A

G

F

M

L

A

A

E

G

A

C

V

D

D

A

T

L

L

V

I

C

V

L

I

L

V

P
|
P

L

G

T

T

A

A

Q
x
S

T
|
T

Q

L

G

K

F

A

L

V

C

N

A

A

D

D

L

V

F

L

A

S

R

A

L

L

-

G

P

P

R

K

G

G

A

V

H

-

L

L

I

I

N

N

V

V

G

G

R
|
R

G

G

S

S

H

T

L

V

V

D

E

E

A

A

D

A

L

L

L

V

R

T

A

A

L

L

D

Q

D

N

G

G

T

T

L

I

G

A

A

G

A

A

T

G

L

L

D
|
D

A

V

F

F

Q

E

H

N

E
|
E

P

P

-

N

L

V

P

P

S

E

G

A

H

-

P

-

F

L

W

L

R

S

H

F

P

P

R

N

I

V

N

S

V

L

T

L

P

P

H
|
H

V

V

A

A

A

S

R

-

T

-

D

-

P

A

A

S

T

V

I

V

A

T

R

R

Q

N

T

A

L

M

D

S

N

D

L

L

active site: L94 (vs. gap), R228 (= R234), D252 (= D258), E257 (= E263), H275 (= H282)
binding [(2r,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]methyl [(2r,3s,4r,5r)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate: V70 (≠ A75), L148 (= L149), G149 (= G150), R150 (≠ T151), I151 (≠ L152), T170 (≠ S171), R171 (= R172), P200 (= P206), S204 (≠ Q210), T205 (= T211), R228 (= R234)

5v6qB Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase smc04462 (smghrb) from sinorhizobium meliloti in complex with NADP and malonate (see paper)
30% identity, 78% coverage: 51:300/319 of query aligns to 48:292/319 of 5v6qB

query
sites
5v6qB

A

A

V

V

C

S

W

G

A

K

P

L

P

P

P

V

G

P

L

L

L

M

A

D

A

A

M

F

P

P

K

S

L

L

R

E

L

I

V

V

Q

A

S

N

L

F

G

G

A
x
V

G

G

I

Y

D

D

H

G

L

V

R

D

S

V

D

S

P

R

D

A

L

A

P

A

P

R

G

G

P

I

T

V

V

V

C

T

-

N

-

T

-

P

-

D

-

V

-
x
L

-

T

-

E

R

E

I
x
V

V

A

D

D

T

T

A

A

M

I

A

G

G

L

T

L

M

L

T

N

A

T

Y

L

V

R

T

L

W

L

A

P

V

Q

I

A

Q

E

H

Q

Q

W

R

L

S

R

M

Q

G

G

A

R

Y

W

L

V

A

R

S

E

A

-

G

G

Q

A

W

F

Q

P

E

L

Q

S

P

P

I

L

V

S

A

L

P

R

S

G

R

R

H

T

R

-

V

V

G

G

I

L

A
x
F

G

G

L
|
L

G
|
G

T
x
R

L
x
I

G

G

I

L

A

A

S

I

A

A

R

R

A

R

L

L

Q

E

A

A

V

F

G

G

Y

V

A

S

V

I

R

A

G

Y

W

H

S
x
T

R
|
R

S

T

P

P

K

R

A

E

D

G

L

L

P

-

E

-

G

-

V

-

Q

-

A

G

F

F

H

T

G

Y

Q

H

D

P

G

T

L

L

D

V

A

G

F

M

L

A

A

E

G

A

C

V

D

D

A

T

L

L

V

I

C

V

L

I

L
x
V

P
|
P

L

G

T

T

A

A

Q
x
S

T
|
T

Q

L

G

K

F

A

L

V

C

N

A

A

D

D

L

V

F

L

A

S

R

A

L

L

-

G

P

P

R

K

G

G

A

V

H

-

L

L

I

I

N

N

V
|
V

G
|
G

R
|
R

G

G

S

S

H

T

L

V

V

D

E

E

A

A

D

A

L

L

L

V

R

T

A

A

L

L

D

Q

D

N

G

G

T

T

L

I

G

A

A

G

A

A

T

G

L

L

D
|
D

A

V

F

F

Q

E

H

N

E
|
E

P

P

-

N

L

V

P

P

S

E

G

A

H

-

P

-

F

L

W

L

R

S

H

F

P

P

R

N

I

V

N

S

V

L

T

L

P

P

H
|
H

V

V

A
|
A

A

S

R

-

T

-

D

-

P

A

A

S

T

V

I

V

A

T

R

R

Q

N

T

A

L

M

D

S

N

D

L

L

active site: L96 (vs. gap), R230 (= R234), D254 (= D258), E259 (= E263), H277 (= H282)
binding nadp nicotinamide-adenine-dinucleotide phosphate: V72 (≠ A75), V100 (≠ I95), F148 (≠ A147), L150 (= L149), G151 (= G150), R152 (≠ T151), I153 (≠ L152), T172 (≠ S171), R173 (= R172), V201 (≠ L205), P202 (= P206), S206 (≠ Q210), T207 (= T211), V228 (= V232), G229 (= G233), R230 (= R234), H277 (= H282), A279 (= A284)

5v7gA Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase smc04462 (smghrb) from sinorhizobium meliloti in complex with NADPH and oxalate (see paper)
30% identity, 78% coverage: 51:300/319 of query aligns to 46:290/317 of 5v7gA

query
sites
5v7gA

A

A

V

V

C

S

W

G

A

K

P

L

P

P

P

V

G

P

L

L

L

M

A

D

A

A

M

F

P

P

K

S

L

L

R

E

L

I

V

V

Q

A

S

N

L

F

G
|
G

A
x
V

G
|
G

I

Y

D

D

H

G

L

V

R

D

S

V

D

S

P

R

D

A

L

A

P

A

P

R

G

G

P

I

T

V

V

V

C

T

-

N

-

T

-

P

-

D

-

V

-
x
L

-

T

-

E

R

E

I
x
V

V

A

D

D

T

T

A

A

M

I

A

G

G

L

T

L

M

L

T

N

A

T

Y

L

V

R

T

L

W

L

A

P

V

Q

I

A

Q

E

H

Q

Q

W

R

L

S

R

M

Q

G

G

A

R

Y

W

L

V

A

R

S

E

A

-

G

G

Q

A

W

F

Q

P

E

L

Q

S

P

P

I

L

V

S

A

L

P

R

S

G

R

R

H

T

R

-

V

V

G

G

I

L

A
x
F

G

G

L
|
L

G
|
G

T
x
R

L
x
I

G

G

I

L

A

A

S

I

A

A

R

R

A

R

L

L

Q

E

A

A

V

F

G

G

Y

V

A

S

V

I

R

A

G

Y

W

H

S
x
T

R
|
R

S

T

P

P

K

R

A

E

D

G

L

L

P

-

E

-

G

-

V

-

Q

-

A

G

F

F

H

T

G

Y

Q

H

D

P

G

T

L

L

D

V

A

G

F

M

L

A

A

E

G

A

C

V

D

D

A

T

L

L

V

I

C

V

L

I

L
x
V

P
|
P

L

G

T

T

A

A

Q
x
S

T
|
T

Q

L

G

K

F

A

L

V

C

N

A

A

D

D

L

V

F

L

A

S

R

A

L

L

-

G

P

P

R

K

G

G

A

V

H

-

L

L

I

I

N

N

V
|
V

G
|
G

R
|
R

G

G

S

S

H

T

L

V

V

D

E

E

A

A

D

A

L

L

L

V

R

T

A

A

L

L

D

Q

D

N

G

G

T

T

L

I

G

A

A

G

A

A

T

G

L

L

D
|
D

A

V

F

F

Q

E

H

N

E
|
E

P

P

-

N

L

V

P

P

S

E

G

A

H

-

P

-

F

L

W

L

R

S

H

F

P

P

R

N

I

V

N

S

V

L

T

L

P

P

H
|
H

V

V

A
|
A

A

S

R

-

T

-

D

-

P

A

A

S

T

V

I

V

A

T

R

R

Q

N

T

A

L

M

D

S

N

D

L

L

active site: L94 (vs. gap), R228 (= R234), D252 (= D258), E257 (= E263), H275 (= H282)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: V70 (≠ A75), V98 (≠ I95), F146 (≠ A147), L148 (= L149), G149 (= G150), R150 (≠ T151), I151 (≠ L152), T170 (≠ S171), R171 (= R172), V199 (≠ L205), P200 (= P206), S204 (≠ Q210), T205 (= T211), V226 (= V232), G227 (= G233), R228 (= R234), H275 (= H282), A277 (= A284)
binding oxalate ion: G69 (= G74), V70 (≠ A75), G71 (= G76), R228 (= R234), H275 (= H282)

5v7nA Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase smc04462 (smghrb) from sinorhizobium meliloti in complex with NADP and 2-keto-d-gluconic acid (see paper)
30% identity, 78% coverage: 51:300/319 of query aligns to 47:291/319 of 5v7nA

query
sites
5v7nA

A

A

V

V

C

S

W

G

A

K

P

L

P

P

P

V

G

P

L

L

L

M

A

D

A

A

M

F

P

P

K

S

L

L

R

E

L

I

V

V

Q

A

S

N

L

F

G
|
G

A
x
V

G
|
G

I

Y

D

D

H

G

L

V

R

D

S

V

D

S

P

R

D

A

L

A

P

A

P

R

G

G

P

I

T

V

V

V

C

T

-

N

-

T

-

P

-

D

-

V

-
x
L

-

T

-

E

R

E

I
x
V

V

A

D

D

T

T

A

A

M

I

A

G

G

L

T

L

M

L

T

N

A

T

Y

L

V

R

T

L

W

L

A

P

V

Q

I

A

Q

E

H

Q

Q

W

R

L

S

R

M

Q

G

G

A

R

Y

W

L

V

A

R

S

E

A

-

G

G

Q

A

W

F

Q

P

E

L

Q

S

P

P

I

L

V

S

A

L

P

R

S

G

R

R

H

T

R

-

V

V

G

G

I

L

A

F

G

G

L
|
L

G
|
G

T
x
R

L
x
I

G

G

I

L

A

A

S

I

A

A

R

R

A

R

L

L

Q

E

A

A

V

F

G

G

Y

V

A

S

V

I

R

A

G

Y

W

H

S
x
T

R
|
R

S

T

P

P

K

R

A

E

D

G

L

L

P

-

E

-

G

-

V

-

Q

-

A

G

F

F

H

T

G

Y

Q

H

D

P

G

T

L

L

D

V

A

G

F

M

L

A

A

E

G

A

C

V

D

D

A

T

L

L

V

I

C

V

L

I

L
x
V

P
|
P

L

G

T

T

A

A

Q
x
S

T
|
T

Q

L

G

K

F

A

L

V

C

N

A

A

D

D

L

V

F

L

A

S

R

A

L

L

-

G

P

P

R

K

G

G

A

V

H

-

L

L

I

I

N

N

V
|
V

G
|
G

R
|
R

G

G

S

S

H

T

L

V

V

D

E

E

A

A

D

A

L

L

L

V

R

T

A

A

L

L

D

Q

D

N

G

G

T

T

L

I

G

A

A

G

A

A

T

G

L

L

D
|
D

A

V

F

F

Q

E

H

N

E
|
E

P

P

-

N

L

V

P

P

S

E

G

A

H

-

P

-

F

L

W

L

R

S

H

F

P

P

R

N

I

V

N

S

V

L

T

L

P

P

H
|
H

V

V

A
|
A

A
x
S

R

-

T

-

D

-

P

A

A

S

T

V

I

V

A

T

R
|
R

Q

N

T

A

L

M

D

S

N

D

L

L

active site: L95 (vs. gap), R229 (= R234), D253 (= D258), E258 (= E263), H276 (= H282)
binding 2-keto-D-gluconic acid: G70 (= G74), V71 (≠ A75), G72 (= G76), R229 (= R234), H276 (= H282), S279 (≠ A285), R285 (= R294)
binding nadp nicotinamide-adenine-dinucleotide phosphate: V71 (≠ A75), V99 (≠ I95), L149 (= L149), G150 (= G150), R151 (≠ T151), I152 (≠ L152), T171 (≠ S171), R172 (= R172), V200 (≠ L205), P201 (= P206), S205 (≠ Q210), T206 (= T211), V227 (= V232), G228 (= G233), R229 (= R234), H276 (= H282), A278 (= A284)

2gcgA Ternary crystal structure of human glyoxylate reductase/hydroxypyruvate reductase (see paper)
29% identity, 71% coverage: 62:287/319 of query aligns to 66:294/324 of 2gcgA

query
sites
2gcgA

A

A

M

G

P

A

K

N

L

L

R

K

L

V

V

I

Q

S

S

T

L

M

G
x
S

A
x
V

G
|
G

I

I

D

D

H

H

L

L

R

A

S

L

D

D

P

E

D

I

L

K

P

K

P

R

G

G

P

I

T

R

V

V

C

G

R

Y

I

T

V

P

D

D

T

V

A

-

M
x
L

A

T

G

D

T

T

M
x
T

T

A

A

E

Y

L

V

A

T

V

W

S

A

L

V

L

I

L

Q

T

H

T

Q

C

R

R

S

R

M

L

G

P

A

E

Y

A

L

I

A

E

S

E

A

V

A

K

A

N

G

G

Q

G

W

W

Q

T

E

S

-

W

Q

K

P

P

I

L

-

W

-

L

-

C

-

G

V

Y

A

G

P

L

S

T

R

Q

H

S

R

T

V

V

G

G

I

I

A

I

G
|
G

L

L

G
|
G

T

R

L
x
I

G

G

I

Q

A

A

S

I

A

A

R

R

A

R

L

L

Q

K

A

P

V

F

G

G

Y

V

A

Q

V

R

R

F

G

L

W

Y

S

T

-
x
G

R
|
R

S

Q

P

P

K
x
R

A

-

D

-

L

-

P

P

E

E

G

E

V

A

Q

A

A

E

F

F

H

Q

G

A

Q

E

D

F

G

V

L

S

D

T

A

P

F

E

L

L

A

A

G

A

-

Q

C

S

D

D

A

F

L

I

V

V

C

V

L

A

L
x
C

P
x
S

L

L

T

T

A

P

Q

A

T
|
T

Q

E

G

G

F

L

L

C

C

N

A

K

D

D

L

F

F

F

A

Q

R

K

L

M

P

K

R

E

G

T

A

A

H

V

L

F

I

I

N

N

V
x
I

G

S

R
|
R

G

G

S

D

H

V

L

V

V

N

E

Q

A

D

D

D

L

L

L

Y

R

Q

A

A

L

L

D

A

D

S

G

G

T

K

L

I

G

A

A

A

T

G

L

L

D
|
D

A

V

F

T

Q

S

H

P

E
|
E

P

P

L

L

P

P

S

T

G

N

H

H

P

P

F

L

W

L

R

T

H

L

P

K

R

N

I

C

N

V

V

I

T

L

P

P

H
|
H

V

I

A
x
G

A

S

R

A

T

T

active site: L103 (≠ M100), R241 (= R234), D265 (= D258), E270 (= E263), H289 (= H282)
binding (2r)-2,3-dihydroxypropanoic acid: S78 (≠ G74), V79 (≠ A75), G80 (= G76), R241 (= R234), H289 (= H282)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: V79 (≠ A75), T107 (≠ M104), G156 (= G148), G158 (= G150), I160 (≠ L152), G180 (vs. gap), R181 (= R172), R184 (≠ K175), C212 (≠ L205), S213 (≠ P206), T218 (= T211), I239 (≠ V232), R241 (= R234), D265 (= D258), H289 (= H282), G291 (≠ A284)

Sites not aligning to the query:

binding (2r)-2,3-dihydroxypropanoic acid: 55

Query Sequence

>RR42_RS27410 FitnessBrowser__Cup4G11:RR42_RS27410
MDMTTTKPPCVALLSSVLDMQYLVPAFRAAAPGLDLRVGPDLGALDDIDAAVCWAPPPGL
LAAMPKLRLVQSLGAGIDHLRSDPDLPPGPTVCRIVDTAMAGTMTAYVTWAVIQHQRSMG
AYLASAAAGQWQEQPIVAPSRHRVGIAGLGTLGIASARALQAVGYAVRGWSRSPKADLPE
GVQAFHGQDGLDAFLAGCDALVCLLPLTAQTQGFLCADLFARLPRGAHLINVGRGSHLVE
ADLLRALDDGTLGAATLDAFQHEPLPSGHPFWRHPRINVTPHVAARTDPATIARQTLDNL
AQLRRGQRPAVAVDPAQGY

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