SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_110805325.1 NCBI__GCF_003217355.1:WP_110805325.1 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)

7jqiA Structure of wild type glyoxylate/hydroxypyruvate reductase a from escherichia coli in complex with alpha-ketoglutarate and NADP+
40% identity, 94% coverage: 19:312/312 of query aligns to 18:312/312 of 7jqiA

query
sites
7jqiA

A

A

L

L

T

R

T

K

A

A

L

I

A

P

E

Q

A

A

G

R

I

V

D

R

A

A

K

-

L

-

V

-

L

W

P

K

P

S

A

G

D

D

P

N

A

D

T

S

V

A

D

D

Y

Y

-

A

I

L

V

V

Y

W

S

H

P

P

R

-

G

-

P

P

V

V

Q

-

D

E

F

M

T

L

A

A

Y

G

T

R

R

D

A

L

K

K

A

A

V

V

L

F

N

A

L

L

W
x
G

A
|
A

G
|
G

V

V

E

D

R

S

V

I

V

L

G

S

-

K

-

L

-

Q

-

A

-

H

-

P

-

E

-

M

-

L

N

N

P

P

T

S

L

V

T

-

Q

-

P

P

L

L

C

F

R
|
R

M

L

V

E

D

D

E

T

G

G

L

M

E

G

R

E

G

Q

M
|
M

V

Q

E

E

W

Y

V

A

T

V

G

S

H

Q

A

V

L

L

R

H

A

W

H

F

L

R

N

R

I

F

D

D

F

D

F

Y

L

R

S

I

H

Q

Q

Q

D

N

G

S

V

S

W

H

R

W

Q

Q

E

P

G

-

N

-

V

L

P

P

P

E

L

Y

A

H

R

R

-

E

D

D

R

F

S

T

V

I

V

G

V

I

L

L

G

G

L
x
A

G
|
G

A
x
V

L
|
L

G

G

G

S

A

K

C

V

A

A

Q

Q

T

S

L

L

A

Q

G

T

L

W

G

R

F

F

Q

P

V

L

T

R

G

C

W
|
W

S
|
S

R
|
R

T
|
T

Q

R

K
|
K

T

S

L

W

P

P

G

G

V

V

T

Q

C

S

L

F

S

A

G

G

A

R

E

E

G

E

L

L

R

S

A

A

A

F

L

L

S

S

R

Q

A

C

E

R

I

V

L

L

V

I

T

N

V

L

L
|
L

P
|
P

N

N

T

T

P

P

E

E

T

T

T

V

D

G

L

I

N

N

T

Q

E

Q

T

L

L

L

A

E

L

K

L

L

P

P

K

D

G

G

A

A

V

Y

I

L

L

L

N

N

P
x
L

G

A

R
|
R

G

G

N

V

L

H

I

V

D

V

D

E

D

D

A

D

L

L

A

A

L

L

D

D

A

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

V

R

E

E

P

P

L

L

P

P

E

E

H

S

P

P

Y

L

W

W

A

Q

H

H

P

P

K

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

A

A

S

E

A

A

A

V

R

E

V

Y

I

I

A

S

E

R

N

T

I

I

R

A

R

Q

F

L

E

E

A

K

G

G

E

E

V

K

P

V

L

C

H

G

L

Q

V

V

D

D

R

R

S

A

R

R

G

G

Y
|
Y

binding 2-oxoglutaric acid: G64 (≠ W70), A65 (= A71), G66 (= G72), R227 (= R227), H275 (= H275)
binding nadp nicotinamide-adenine-dinucleotide phosphate: A65 (= A71), R89 (= R88), M99 (= M98), A144 (≠ L144), G145 (= G145), V146 (≠ A146), L147 (= L147), W165 (= W165), S166 (= S166), R167 (= R167), T168 (= T168), K170 (= K170), L198 (= L198), P199 (= P199), L225 (≠ P225), R227 (= R227), H275 (= H275), A278 (= A278), Y312 (= Y312)

6p35A 2.5 angstrom structure of wild type glyoxylate/hydroxypyruvate reductase a from escherichia coli in complex with 2-keto arginine and NADP
40% identity, 94% coverage: 19:312/312 of query aligns to 18:312/312 of 6p35A

query
sites
6p35A

A

A

L

L

T

R

T

K

A

A

L

I

A

P

E

Q

A

A

G

R

I

V

D

R

A

A

K

-

L

-

V

-

L

W

P

K

P

S

A

G

D

D

P

N

A

D

T

S

V

A

D

D

Y

Y

-

A

I

L

V

V

Y

W

S

H

P

P

R

-

G

-

P

P

V

V

Q

-

D

E

F

M

T

L

A

A

Y

G

T

R

R

D

A

L

K

K

A

A

V

V

L

F

N

A

L

L

W

G

A
|
A

G

G

V

V

E

D

R

S

V

I

V

L

G

S

-

K

-

L

-

Q

-

A

-

H

-

P

-

E

-

M

-

L

N

N

P

P

T

S

L

V

T

-

Q

-

P

P

L

L

C

F

R
|
R

M

L

V

E

D

D

E

T

G

G

L

M

E

G

R

E

G

Q

M
|
M

V

Q

E

E

W

Y

V

A

T

V

G

S

H

Q

A

V

L

L

R

H

A

W

H

F

L

R

N

R

I

F

D

D

F

D

F

Y

L

R

S

I

H

Q

Q

Q

D

N

G

S

V

S

W

H

R

W

Q

Q

E

P

G

-

N

-

V

L

P

P

P

E

L

Y

A

H

R

R

-

E

D

D

R

F

S

T

V

I

V

G

V

I

L

L

G

G

L
x
A

G
|
G

A
x
V

L
|
L

G

G

G

S

A

K

C

V

A

A

Q

Q

T

S

L

L

A

Q

G

T

L

W

G

R

F

F

Q

P

V

L

T

R

G

C

W
|
W

S
|
S

R
|
R

T
|
T

Q

R

K
|
K

T

S

L

W

P

P

G

G

V

V

T

Q

C

S

L

F

S

A

G

G

A

R

E

E

G

E

L

L

R

S

A

A

A

F

L

L

S

S

R

Q

A

C

E

R

I

V

L

L

V

I

T

N

V

L

L
|
L

P
|
P

N

N

T

T

P

P

E

E

T

T

T

V

D

G

L

I

N

N

T

Q

E

Q

T

L

L

L

A

E

L

K

L

L

P

P

K

D

G

G

A

A

V

Y

I

L

L

L

N

N

P
x
L

G

A

R
|
R

G

G

N

V

L

H

I

V

D

V

D

E

D

D

A

D

L

L

A

A

L

L

D

D

A

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

V

R

E

E

P

P

L

L

P

P

E

E

H

S

P

P

Y

L

W

W

A

Q

H

H

P

P

K

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

A

A

S

E

A

A

A

V

R

E

V

Y

I

I

A

S

E

R

N

T

I

I

R

A

R

Q

F

L

E

E

A

K

G

G

E

E

V

K

P

V

L

C

H

G

L

Q

V

V

D

D

R

R

S

A

R

R

G

G

Y
|
Y

binding nadp nicotinamide-adenine-dinucleotide phosphate: A65 (= A71), R89 (= R88), M99 (= M98), A144 (≠ L144), G145 (= G145), V146 (≠ A146), L147 (= L147), W165 (= W165), S166 (= S166), R167 (= R167), T168 (= T168), K170 (= K170), L198 (= L198), P199 (= P199), L225 (≠ P225), R227 (= R227), H275 (= H275), A277 (= A277), A278 (= A278), Y312 (= Y312)
binding 5-[(diaminomethylidene)amino]-2-oxopentanoic acid: A65 (= A71), R227 (= R227), H275 (= H275), T280 (= T280)

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+
40% identity, 94% coverage: 19:312/312 of query aligns to 19:313/313 of 7jqhA

query
sites
7jqhA

A

A

L

L

T

R

T

K

A

A

L

I

A

P

E

Q

A

A

G

R

I

V

D

R

A

A

K

-

L

-

V

-

L

W

P

K

P

S

A

G

D

D

P

N

A

D

T

S

V

A

D

D

Y

Y

-

A

I

L

V

V

Y

W

S

H

P

P

R

-

G

-

P

P

V

V

Q

-

D

E

F

M

T

L

A

A

Y

G

T

R

R

D

A

L

K

K

A

A

V

V

L

F

N

A

L

L

W

G

A
|
A

G

G

V

V

E

D

R

S

V

I

V

L

G

S

-

K

-

L

-

Q

-

A

-

H

-

P

-

E

-

M

-

L

N

N

P

P

T

S

L

V

T

-

Q

-

P

P

L

L

C

F

R
|
R

M

L

V

E

D

D

E

T

G

G

L

M

E

G

R

E

G

Q

M
|
M

V

Q

E

E

W

Y

V

A

T

V

G

S

H

Q

A

V

L

L

R

H

A

W

H

F

L

R

N

R

I

F

D

D

F

D

F

Y

L

R

S

I

H

Q

Q

Q

D

N

G

S

V

S

W

H

R

W

Q

Q

E

P

G

-

N

-

V

L

P

P

P

E

L

Y

A

H

R

R

-

E

D

D

R

F

S

T

V

I

V

G

V

I

L

L

G

G

L
x
A

G
|
G

A
x
V

L
|
L

G

G

G

S

A

K

C

V

A

A

Q

Q

T

S

L

L

A

Q

G

T

L

W

G

R

F

F

Q

P

V

L

T

R

G

C

W
|
W

S
|
S

R
|
R

T
|
T

Q

R

K
|
K

T

S

L

W

P

P

G

G

V

V

T

Q

C

S

L

F

S

A

G

G

A

R

E

E

G

E

L

L

R

S

A

A

A

F

L

L

S

S

R

Q

A

C

E

R

I

V

L

L

V

I

T

N

V

L

L
|
L

P
|
P

N

N

T

T

P

P

E

E

T

T

T

V

D

G

L

I

N

N

T

Q

E

Q

T

L

L

L

A

E

L

K

L

L

P

P

K

D

G

G

A

A

V

Y

I

L

L

L

N

N

P
x
L

G
x
A

R
|
R

G

G

N

V

L

H

I

V

D

V

D

E

D

D

A

D

L

L

A

A

L

L

D

D

A

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

V

R

E

E

P

P

L

L

P

P

E

E

H

S

P

P

Y

L

W

W

A

Q

H

H

P

P

K

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

A

A

S

E

A

A

A

V

R

E

V

Y

I

I

A

S

E

R

N

T

I

I

R

A

R

Q

F

L

E

E

A

K

G

G

E

E

V

K

P

V

L

C

H

G

L

Q

V

V

D

D

R

R

S

A

R

R

G

G

Y
|
Y

binding nadp nicotinamide-adenine-dinucleotide phosphate: A66 (= A71), R90 (= R88), M100 (= M98), A145 (≠ L144), G146 (= G145), V147 (≠ A146), L148 (= L147), W166 (= W165), S167 (= S166), R168 (= R167), T169 (= T168), K171 (= K170), L199 (= L198), P200 (= P199), L226 (≠ P225), A227 (≠ G226), R228 (= R227), D252 (= D251), H276 (= H275), A279 (= A278), Y313 (= Y312)

4zqbB Crystal structure of NADP-dependent dehydrogenase from rhodobactersphaeroides in complex with NADP and sulfate
42% identity, 94% coverage: 20:312/312 of query aligns to 25:316/316 of 4zqbB

query
sites
4zqbB

L

L

T

A

T

R

A

A

L

L

A

P

E

G

A

E

G

R

I

I

D

D

A

G

K

F

L

R

V

E

L

L

P

S

P

P

A

A

D

E

P

R

A

A

T

E

V

V

D

D

Y

I

I

A

V

I

Y

V

S

A

P

N

R

P

G

D

P

P

V

A

Q

-

D

D

F

L

T

A

A

E

Y

L

T

P

R

N

A

L

K

V

A

W

V

I

L

H

N

S

L

L

W

W

A

A

G

G

V

V

E

E

R

R

V

L

V

V

G

A

N

E

-

L

P

G

T

H

L

L

T

A

Q

R

P

P

L

I

C

V

R
|
R

M

L

V

V

D

D

E

P

G

E

L
|
L

E

A

R

R

G

T

M
|
M

V

A

E

E

W

A

V

A

T

L

G

A

H

W

A

T

L

Y

R

Y

A

L

H

F

L

R

N

D

I

M

D

P

F

A

F

Y

L

A

S

A

H

Q

Q

Q

D

R

G

A

-

R

V

V

W

W

R

K

Q

-

E

-

G

-

N

G

V

L

P

P

P

Y

L

K

A

R

R

P

D

E

R

R

S

T

V

T

V

V

-

G

V

V

L

L

G
|
G

L
|
L

G
|
G

A
x
E

L
|
L

G

G

G

A

A

A

C

A

A

A

Q

L

T

R

L

L

A

R

G

D

L

A

G

G

F

F

Q

D

V

V

T

H

G

G

W
|
W

S
|
S

R
|
R

T
x
S

Q

P

K
|
K

T

E

L

I

P

A

G

G

V

V

T

T

C

C

L

H

S

A

G

G

A

E

E

E

G

T

L

L

R

E

A

R

A

M

L

L

S

G

R

Q

A

V

E

E

I

I

L

L

V

V

T

C

V

L

L
|
L

P
|
P

N

L

T

T

P

G

E

E

T

T

T

R

D

G

L

L

N

D

T

A

E

R

T

R

L

L

A

A

L

C

L

L

P

P

K

E

G

G

A

A

V

Q

I

I

L

V

N

N

P
x
F

G

A

R
|
R

G

G

N

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

A

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

V

V

E
|
E

P

P

L

L

P

P

P

E

E

A

H

S

P

P

Y

F

W

W

A

G

H

H

P

P

K

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

A

E

S

T

A

A

A

S

R

A

V

I

I

V

A

G

E

A

N

H

I

V

R

A

R

D

F

Y

E

R

A

A

-

T

G

G

E

R

V

I

P

P

L

P

H

S

L

-

V

V

D

D

R

L

S

T

R

R

G

G

Y
|
Y

active site: L99 (= L94), R231 (= R227), E260 (= E256), H279 (= H275)
binding nadp nicotinamide-adenine-dinucleotide phosphate: R93 (= R88), M103 (= M98), G147 (= G143), L148 (= L144), G149 (= G145), E150 (≠ A146), L151 (= L147), W169 (= W165), S170 (= S166), R171 (= R167), S172 (≠ T168), K174 (= K170), L202 (= L198), P203 (= P199), F229 (≠ P225), R231 (= R227), H279 (= H275), S281 (≠ A277), A282 (= A278), Y316 (= Y312)

5vg6B Crystal structure of d-isomer specific 2-hydroxyacid dehydrogenase from xanthobacter autotrophicus py2 in complex with NADPH and mes.
45% identity, 96% coverage: 15:312/312 of query aligns to 23:315/315 of 5vg6B

query
sites
5vg6B

A

A

Y

A

E

H

P

P

A

G

L

L

T

D

T

V

A

R

L

I

A

A

E

R

A

A

G

G

I

-

D

D

A

G

K

H

L

V

V

-

L

-

P

-

P

E

A

G

D

D

P

P

A

E

T

E

V

V

D

R

Y

Y

-

A

I

L

V

V

Y

W

S

K

P

P

R

-

G

-

P

P

V

H

Q

G

D

F

F

F

T

A

A

R

Y

F

T

P

R

N

A

L

K

K

A

L

V

V

L

I

N

N

L

L

W

G

A
|
A

G

G

V

V

E

D

R

A

V

L

V

V

G

A

N

R

P

D

T

D

L

L

T

P

Q

D

-

V

P

P

L

V

C

T

R
|
R

M

L

V

S

D

D

E

P

G

N

L
x
M

E

S

R

Q

G

M

M
|
M

V

A

E

S

W

F

V

V

T

L

G

F

H

C

A

V

L

L

R

R

A

H

H

A

L

R

N

D

I

I

D

P

F

T

F

F

-

E

L

R

S

A

H

Q

Q

R

D

E

G

G

V

R

W

W

R

H

Q

Y

E

V

G

H

N

-

V

-

P

P

P

R

L

T

A

A

R

A

D

E

R

I

S

R

V

V

V

G

V

V

L

L

G

G

L
|
L

G
|
G

A
x
D

L
|
L

G

G

G

A

A

A

C

A

A

A

Q

L

T

E

L

L

A

A

G

R

L

H

G

G

F

F

Q

D

V

V

T

R

G

G

W
|
W

S
|
S

R
|
R

T
|
T

Q

P

K
|
K

T

A

L

L

P

E

G

G

V

V

T

S

C

C

L

F

S

H

G

G

A

L

E

E

G

A

L

L

R

P

A

G

A

F

L

L

S

A

R

G

A

S

E

E

I

I

L

V

V

V

T

V

V

M

L
|
L

P
|
P

N

L

T

T

P

P

E

E

T
|
T

T

R

D

G

L

L

L

M

N

N

T

A

E

E

T

R

L

L

A

A

L

H

L

L

P

P

K

R

G

G

A

A

V

K

I

F

L

I

N

N

P
x
V

G

A

R
|
R

G

G

N

P

L

V

I

V

D

D

D

E

D

A

A

A

L

L

L

I

A

A

L

L

D

R

A

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

V

V

E
|
E

P

P

L

L

P

P

P

V

E

G

H

S

P

P

Y

L

W

W

A

A

H

M

P

D

K

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

A

R

S

T

A

A

R

P

V

Q

I

I

A

V

E

E

N

N

I

I

R

R

F

I

E

E

A

A

G

G

E

E

V

P

P

V

L

L

H

N

L

Q

V

V

D

D

R

P

S

R

R

R

G

G

Y
|
Y

active site: M98 (≠ L94), R230 (= R227), D254 (= D251), E259 (= E256), H278 (= H275)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: A74 (= A71), R92 (= R88), M102 (= M98), L147 (= L144), G148 (= G145), D149 (≠ A146), L150 (= L147), W168 (= W165), S169 (= S166), R170 (= R167), T171 (= T168), K173 (= K170), L201 (= L198), P202 (= P199), T207 (= T204), V228 (≠ P225), R230 (= R227), H278 (= H275), A280 (= A277), S281 (≠ A278), Y315 (= Y312)

3kboA 2.14 angstrom crystal structure of putative oxidoreductase (ycdw) from salmonella typhimurium in complex with NADP
38% identity, 100% coverage: 2:312/312 of query aligns to 1:312/312 of 3kboA

query
sites
3kboA

L

M

T

E

V

I

L

I

F

F

A

Y

D

H

R

P

I

T

E

F

N

N

W

A

P

A

A

W

Y

W

E

V

P

N

A

A

L

L

T

E

T

K

A

A

L

L

A

P

E

H

A

A

G

R

I

V

D

R

A

E

K

W

L

K

V

V

L

-

P

-

A

G

D

D

P
x
N

A

N

T

P

V

A

D

D

Y

Y

-

A

I

L

V

V

Y

W

S

Q

P

P

R

-

G

-

P

P

V

V

Q

-

D

E

F

M

T

L

A
|
A

Y

G

T
x
R

R
|
R

A

L

K

K

A

A

V

V

L

F

N

V

L

L

W

G

A

A

G

G

V

V

E

D

R

A

V

I

V

L

G

S

-

K

-

L

-

N

-

A

N

H

P

P

T

E

L

M

-

L

-

D

-

A

T

S

Q

I

P

P

L

L

C

F

R
|
R

M

L

V

E

D

D

E

T

G

G

L
x
M

E

G

R

L

G

Q

M
|
M

V

Q

E

E

W

Y

V

A

T

V

G

S

H

Q

A

V

L

L

R

H

A

W

H

F

L

R

N

R

I

F

D

D

F

D

F

Y

L

Q

S

A

H

L

Q

K

D

N

-

Q

G

A

V

L

W

W

R

K

Q

P

E

-

G

-

N

-

V

L

P

P

P

E

L

Y

A

T

R

R

D

E

R

E

-

F

S

S

V

V

V

G

V

I

L

M

G
|
G

L
x
A

G
|
G

A
x
V

L
|
L

G

G

G

A

A

K

C

V

A

A

Q

E

T

S

L

L

A

Q

G

A

L

W

G

G

F

F

Q

P

V

L

T

R

G

C

W
|
W

S
|
S

R
|
R

T
x
S

Q

R

K
|
K

T

S

L

W

P

P

G

G

V

V

T

E

C

S

L

Y

S

V

G

G

A

R

E

E

G

E

L

L

R

R

A

A

A

F

L

L

S

N

R

Q

A

T

E

R

I

V

L

L

V

I

T

N

V
x
L

L

L

P
|
P

N

N

T

T

P

A

E

Q

T

T

T

V

D

G

L

I

N

N

T

S

E

E

T

L

L

L

A

D

L

Q

L

L

P

P

K

D

G

G

A

A

V

Y

I

V

L

L

N

N

P
x
L

G
x
A

R
|
R

G

G

N

V

L

H

I

V

D

Q

D

E

D

A

A

D

L

L

A

A

L

L

D

D

A

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

V

Q

E
|
E

P

P

L

L

P

P

P

Q

E

E

H

S

P

P

Y

L

W

W

A

R

H

H

P

P

K

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

A

A

S

E

A

A

A

I

R

D

V

Y

I

I

A

S

E

R

N

T

I

I

R

T

R

Q

F

L

E

E

A

K

G

G

E

E

V

P

P

V

L

T

H

G

L

Q

V

V

D

D

R

R

S

A

R

R

G

G

Y
|
Y

active site: M95 (≠ L94), R227 (= R227), E256 (= E256), H275 (= H275)
binding N-(2-hydroxyethyl)-N,N-dimethyl-3-sulfopropan-1-aminium: N36 (≠ P40), A53 (= A59), R55 (≠ T61), R56 (= R62)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: R89 (= R88), M99 (= M98), G143 (= G143), A144 (≠ L144), G145 (= G145), V146 (≠ A146), L147 (= L147), W165 (= W165), S166 (= S166), R167 (= R167), S168 (≠ T168), K170 (= K170), L197 (≠ V197), P199 (= P199), L225 (≠ P225), A226 (≠ G226), R227 (= R227), D251 (= D251), H275 (= H275), A278 (= A278), Y312 (= Y312)

4z0pA Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase smc02828 (smghra) from sinorhizobium meliloti in complex with NADPH and oxalate (see paper)
38% identity, 88% coverage: 39:312/312 of query aligns to 40:316/316 of 4z0pA

query
sites
4z0pA

D

D

P

L

A

S

T

G

V

I

D

D

Y

Y

I

A

V

V

Y

V

S
x
W

P

K

R

S

G

A

P

P

V

-

Q

D

D

L

F

F

T

S

A

R

Y

A

T

P

R

D

A

L

K

K

A

V

V

V

L

F

N

S

L

G

W
x
G

A
|
A

G
|
G

V

V

E

D

R

H

V

V

V

L

G

T

N

L

P

P

T

G

L

L

T

P

Q

D

-

V

P

P

L

L

C

V

R
|
R

M

F

V

V

D

D

E

R

G

T

L
|
L

E

T

R

T

G

R

M
|
M

V

S

E

E

W

W

V

V

T

M

G

M

H

Q

A

C

L

L

-

L

-

H

-

L

R

R

A

Q

H
|
H

L
x
R

N

A

I

Y

D

E

F

A

F

L

L

A

S

K

H

K

Q

H

D

E

G

-

V

-

W

W

R

R

Q

D

E

L

G

S

N

Q

V

-

P

-

P

P

L

E

A

A

R

A

D

D

R

V

S

T

V

V

V

G

V

I

L

M

G

G

L
x
M

G
|
G

A
x
V

L
|
L

G

G

G

Q

A

D

C

A

A

A

Q

R

T

K

L

L

A

A

G

A

L

M

G

G

F

F

Q

K

V

V

T

I

G

G

W
|
W

S
|
S

R
|
R

T
x
S

Q

K

K
x
R

T

V

L

I

P

E

G

G

V

V

T

E

C

T

L

Y

S

D

G

A

A

A

E

-

G

G

L

L

R

D

A

A

A

F

L

L

S

G

R

R

A

T

E

D

I

F

L

L

V

V

T

G

V

L

L
|
L

P
|
P

N

L

T

T

P

P

E

D

T

T

T

R

D

G

L

I

L

F

N

N

T

A

E

A

T

L

L

F

A

A

L

K

L

L

-

S

-

R

-

N

-

G

P

P

K

F

G

G

A

A

-

P

V

V

I

F

L

I

N

N

P
x
A

G
|
G

R
|
R

G

G

N

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

A

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

V

R

E
|
E

P

P

L

L

P

S

P

P

E

E

H

S

P

R

Y

F

W

W

A

D

H

M

P

P

K

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

A

R

S

A

A

L

A

F

R

V

V

H

I

V

A

E

E

H

N

Q

I

I

R

A

R

R

F

F

E

E

A

S

G

G

E

L

V

P

P

L

L

E

H

H

L

V

V

V

D

D

R

K

S

V

R

A

G

G

Y
|
Y

active site: L95 (= L94), R231 (= R227), G250 (= G246), D255 (= D251), E260 (= E256), H279 (= H275)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: R89 (= R88), M99 (= M98), M144 (≠ L144), G145 (= G145), V146 (≠ A146), L147 (= L147), W165 (= W165), S166 (= S166), R167 (= R167), S168 (≠ T168), R170 (≠ K170), L197 (= L198), P198 (= P199), A229 (≠ P225), G230 (= G226), R231 (= R227), H279 (= H275), A281 (= A277), A282 (= A278), Y316 (= Y312)
binding oxalic acid: W50 (≠ S49), G70 (≠ W70), A71 (= A71), G72 (= G72), H114 (= H110), R115 (≠ L111), R231 (= R227), H279 (= H275)

4weqA Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase smc02828 (smghra) from sinorhizobium meliloti in complex with NADP and sulfate (see paper)
38% identity, 88% coverage: 39:312/312 of query aligns to 40:316/316 of 4weqA

query
sites
4weqA

D

D

P

L

A

S

T

G

V

I

D

D

Y

Y

I

A

V

V

Y

V

S

W

P

K

R

S

G

A

P

P

V

-

Q

D

D

L

F

F

T

S

A

R

Y

A

T

P

R

D

A

L

K

K

A

V

V

V

L

F

N

S

L

G

W

G

A

A

G

G

V

V

E

D

R

H

V

V

V

L

G

T

N

L

P

P

T

G

L

L

T

P

Q

D

-

V

P

P

L

L

C

V

R
|
R

M

F

V

V

D

D

E

R

G

T

L
|
L

E

T

R

T

G

R

M
|
M

V

S

E

E

W

W

V

V

T

M

G

M

H

Q

A

C

L

L

-

L

-

H

-

L

R

R

A

Q

H

H

L

R

N

A

I

Y

D

E

F

A

F

L

L

A

S

K

H

K

Q

H

D

E

G

-

V

-

W

W

R

R

Q

D

E

L

G

S

N

Q

V

-

P

-

P

P

L

E

A

A

R

A

D

D

R

V

S

T

V

V

V

G

V

I

L

M

G

G

L
x
M

G
|
G

A
x
V

L
|
L

G

G

G

Q

A

D

C

A

A

A

Q

R

T

K

L

L

A

A

G

A

L

M

G

G

F

F

Q

K

V

V

T

I

G

G

W
|
W

S
|
S

R
|
R

T
x
S

Q

K

K
x
R

T

V

L

I

P

E

G

G

V

V

T

E

C

T

L

Y

S

D

G

A

A

A

E

-

G

G

L

L

R

D

A

A

A

F

L

L

S

G

R

R

A

T

E

D

I

F

L

L

V

V

T

G

V

L

L
|
L

P
|
P

N

L

T

T

P

P

E

D

T

T

T

R

D

G

L

I

L

F

N

N

T

A

E

A

T

L

L

F

A

A

L

K

L

L

-

S

-

R

-

N

-

G

P

P

K

F

G

G

A

A

-

P

V

V

I

F

L

I

N

N

P
x
A

G
|
G

R
|
R

G

G

N

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

A

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

V

R

E
|
E

P

P

L

L

P

S

P

P

E

E

H

S

P

R

Y

F

W

W

A

D

H

M

P

P

K

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

A

R

S

A

A

L

A

F

R

V

V

H

I

V

A

E

E

H

N

Q

I

I

R

A

R

R

F

F

E

E

A

S

G

G

E

L

V

P

P

L

L

E

H

H

L

V

V

V

D

D

R

K

S

V

R

A

G

G

Y
|
Y

active site: L95 (= L94), R231 (= R227), G250 (= G246), D255 (= D251), E260 (= E256), H279 (= H275)
binding nadp nicotinamide-adenine-dinucleotide phosphate: R89 (= R88), M99 (= M98), M144 (≠ L144), G145 (= G145), V146 (≠ A146), L147 (= L147), W165 (= W165), S166 (= S166), R167 (= R167), S168 (≠ T168), R170 (≠ K170), L197 (= L198), P198 (= P199), A229 (≠ P225), G230 (= G226), R231 (= R227), D255 (= D251), H279 (= H275), A281 (= A277), Y316 (= Y312)

5bqfA Probable 2-hydroxyacid dehydrogenase from rhizobium etli cfn 42 in complex with NADP, hepes and l(+)-tartaric acid
37% identity, 80% coverage: 64:312/312 of query aligns to 65:317/317 of 5bqfA

query
sites
5bqfA

K

K

A

V

V

I

L

F

N

S

L

G

W

G

A
|
A

G

G

V

V

E

D

R

H

V

I

G

G

N

M

P

A

T

G

L

L

T

P

Q

D

-

I

P

P

L

I

C

V

R
|
R

M

F

V

V

D

D

E

R

G

S

L

L

E

T

R

T

G

R

M
|
M

V

S

E

E

W

W

V

V

T

V

G

M

H

Q

A

C

L

L

R

-

A

M

H

H

L

L

N

R

I

G

D

Q

F

Y

F

-

L

-

S

G

H

H

Q

D

D

S

G

H

V

Q

W

R

R

R

Q

R

E

E

-

W

-

A

G

K

N

L

V

I

P

A

P

P

L

E

A

A

R

A

D

E

R

V

S

T

V

V

V

G

V

V

L

M

G
|
G

L
|
L

G
|
G

A
x
I

L
|
L

G

G

G

Q

A

D

C

A

A

V

Q

A

T

K

L

L

A

K

G

V

L

M

G

G

F

F

Q

N

V

V

T

I

G

G

W
|
W

S
|
S

R
|
R

T
|
T

Q

R

K

K

T

T

L

I

P

E

G

G

V

V

T

E

C

T

L

F

S

D

G

A

A

G

E

E

G

-

L

L

R

D

A

R

A

F

L

L

S

A

R

K

A

T

E

D

I

I

L

L

V

V

T

G

V

L

L
|
L

P
|
P

N

L

T

T

P

P

E

E

T

T

D

G

L

F

L

Y

N

D

T

S

E

E

T

L

L

F

A

K

L

K

L

L

P

R

K

R

G

D

A

G

-

A

-

L

-

G

-

Q

-

P

V

V

I

F

L

I

N

N

P
x
A

G
|
G

R
|
R

G

G

N

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

A

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

V

V

E
|
E

P

P

L

L

P

A

P

T

E

D

H

S

P

P

Y

L

W

W

A

E

H

L

P

E

K

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

A

N

S

A

A

L

A

F

R

R

V

H

I

V

A

E

E

M

N

Q

I

I

R

A

R

R

F

F

E

E

A

R

G

G

E

E

V

P

P

L

L

Q

H

F

L

V

V

I

D

D

R

R

S

A

R

A

G

G

Y
|
Y

active site: E261 (= E256), H280 (= H275)
binding nadp nicotinamide-adenine-dinucleotide phosphate: A72 (= A71), R90 (= R88), M100 (= M98), G144 (= G143), L145 (= L144), G146 (= G145), I147 (≠ A146), L148 (= L147), W166 (= W165), S167 (= S166), R168 (= R167), T169 (= T168), L198 (= L198), P199 (= P199), A230 (≠ P225), G231 (= G226), R232 (= R227), H280 (= H275), A283 (= A278), Y317 (= Y312)

4xcvA Probable 2-hydroxyacid dehydrogenase from rhizobium etli cfn 42 in complex with NADPH
37% identity, 80% coverage: 64:312/312 of query aligns to 65:317/317 of 4xcvA

query
sites
4xcvA

K

K

A

V

V

I

L

F

N

S

L

G

W

G

A
|
A

G

G

V

V

E

D

R

H

V

I

G

G

N

M

P

A

T

G

L

L

T

P

Q

D

-

I

P

P

L

I

C

V

R
|
R

M

F

V

V

D

D

E

R

G

S

L

L

E

T

R

T

G

R

M
|
M

V

S

E

E

W

W

V

V

T

V

G

M

H

Q

A

C

L

L

R

-

A

M

H

H

L

L

N

R

I

G

D

Q

F

Y

F

-

L

-

S

G

H

H

Q

D

D

S

G

H

V

Q

W

R

R

R

Q

R

E

E

-

W

-

A

G

K

N

L

V

I

P

A

P

P

L

E

A

A

R

A

D

E

R

V

S

T

V

V

V

G

V

V

L

M

G
|
G

L
|
L

G
|
G

A
x
I

L
|
L

G

G

G

Q

A

D

C

A

A

V

Q

A

T

K

L

L

A

K

G

V

L

M

G

G

F

F

Q

N

V

V

T

I

G

G

W
|
W

S
|
S

R
|
R

T
|
T

Q

R

K
|
K

T

T

L

I

P

E

G

G

V

V

T

E

C

T

L

F

S

D

G

A

A

G

E

E

G

-

L

L

R

D

A

R

A

F

L

L

S

A

R

K

A

T

E

D

I

I

L

L

V

V

T

G

V

L

L
|
L

P
|
P

N

L

T

T

P

P

E

E

T

T

D

G

L

F

L

Y

N

D

T

S

E

E

T

L

L

F

A

K

L

K

L

L

P

R

K

R

G

D

A

G

-

A

-

L

-

G

-

Q

-

P

V

V

I

F

L

I

N

N

P
x
A

G
|
G

R
|
R

G

G

N

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

A

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

V

V

E
|
E

P

P

L

L

P

A

P

T

E

D

H

S

P

P

Y

L

W

W

A

E

H

L

P

E

K

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

A

N

S

A

A

L

A

F

R

R

V

H

I

V

A

E

E

M

N

Q

I

I

R

A

R

R

F

F

E

E

A

R

G

G

E

E

V

P

P

L

L

Q

H

F

L

V

V

I

D

D

R

R

S

A

R

A

G

G

Y
|
Y

active site: E261 (= E256), H280 (= H275)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: A72 (= A71), R90 (= R88), M100 (= M98), G144 (= G143), L145 (= L144), G146 (= G145), I147 (≠ A146), L148 (= L147), W166 (= W165), S167 (= S166), R168 (= R167), T169 (= T168), K171 (= K170), L198 (= L198), P199 (= P199), A230 (≠ P225), G231 (= G226), R232 (= R227), H280 (= H275), A283 (= A278), Y317 (= Y312)

5tsdA Crystal structure of NADPH-dependent 2-hydroxyacid dehydrogenase from rhizobium etli cfn 42 in complex with NADPH and oxalate
37% identity, 80% coverage: 64:312/312 of query aligns to 64:316/316 of 5tsdA

query
sites
5tsdA

K

K

A

V

V

I

L

F

N

S

L

G

W
x
G

A
|
A

G
|
G

V

V

E

D

R

H

V

I

G

G

N

M

P

A

T

G

L

L

T

P

Q

D

-

I

P

P

L

I

C

V

R
|
R

M

F

V

V

D

D

E

R

G

S

L

L

E

T

R

T

G

R

M
|
M

V

S

E

E

W

W

V

V

T

V

G

M

H

Q

A

C

L

L

R

-

A

M

H

H

L

L

N

R

I

G

D

Q

F

Y

F

-

L

-

S

G

H

H

Q

D

D

S

G

H

V

Q

W

R

R

R

Q

R

E

E

-

W

-

A

G

K

N

L

V

I

P

A

P

P

L

E

A

A

R

A

D

E

R

V

S

T

V

V

V

G

V

V

L

M

G
|
G

L
|
L

G
|
G

A
x
I

L
|
L

G

G

G

Q

A

D

C

A

A

V

Q

A

T

K

L

L

A

K

G

V

L

M

G

G

F

F

Q

N

V

V

T

I

G

G

W
|
W

S
|
S

R
|
R

T
|
T

Q

R

K
|
K

T

T

L

I

P

E

G

G

V

V

T

E

C

T

L

F

S

D

G

A

A

G

E

E

G

-

L

L

R

D

A

R

A

F

L

L

S

A

R

K

A

T

E

D

I

I

L

L

V

V

T

G

V

L

L
|
L

P
|
P

N

L

T

T

P

P

E

E

T

T

D

G

L

F

L

Y

N

D

T

S

E

E

T

L

L

F

A

K

L

K

L

L

P

R

K

R

G

D

A

G

-

A

-

L

-

G

-

Q

-

P

V

V

I

F

L

I

N

N

P
x
A

G
|
G

R
|
R

G

G

N

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

A

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

V

V

E
|
E

P

P

L

L

P

A

P

T

E

D

H

S

P

P

Y

L

W

W

A

E

H

L

P

E

K

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

A

N

S

A

A

L

A

F

R

R

V

H

I

V

A

E

E

M

N

Q

I

I

R

A

R

R

F

F

E

E

A

R

G

G

E

E

V

P

P

L

L

Q

H

F

L

V

V

I

D

D

R

R

S

A

R

A

G

G

Y
|
Y

active site: E260 (= E256), H279 (= H275)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: A71 (= A71), R89 (= R88), M99 (= M98), G143 (= G143), L144 (= L144), G145 (= G145), I146 (≠ A146), L147 (= L147), W165 (= W165), S166 (= S166), R167 (= R167), T168 (= T168), K170 (= K170), L197 (= L198), P198 (= P199), A229 (≠ P225), G230 (= G226), R231 (= R227), D255 (= D251), H279 (= H275), Y316 (= Y312)
binding oxalic acid: G70 (≠ W70), A71 (= A71), G72 (= G72), R231 (= R227), H279 (= H275)

Sites not aligning to the query:

binding oxalic acid: 50

5aovA Ternary crystal structure of pyrococcus furiosus glyoxylate hydroxypyruvate reductase in presence of glyoxylate (see paper)
31% identity, 55% coverage: 137:309/312 of query aligns to 151:324/334 of 5aovA

query
sites
5aovA

R

K

S

T

V

I

V

G

V

I

L

V

G

G

L
x
F

G
|
G

A
x
R

L
x
I

G

G

G

Q

A

A

C

I

A

A

Q

R

T

R

L

A

A

K

G

G

L

F

G

N

F

M

Q

R

V

I

T

L

G

Y

W

Y

S
|
S

R
|
R

T

T

Q

R

K

K

T

S

L

Q

P

A

G

E

V

K

T

E

C

L

L

G

S

A

G

E

A

Y

E

R

G

P

L

L

R

E

A

E

A

V

L

L

S

K

R

E

A

S

E

D

I

F

L

V

V

I

T

L

V
x
A

L
x
V

P
|
P

N

L

T

T

P

K

E

E

T
|
T

T

M

D

Y

L

M

L

I

N

N

T

E

E

E

T

R

L

L

A

K

L

L

L

M

P

K

K

P

G

T

A

A

V

I

I

L

L

V

N

N

P
x
I

G
x
A

R
|
R

G

G

N

K

L

V

I

V

D

D

D

T

D

K

A

A

L

L

L

I

A

K

A

A

L

L

D

K

A

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

V

E

E
|
E

P

P

L

Y

P

Y

P

N

E

E

H

E

P

L

Y

F

W

-

A

S

H

L

P

D

K

N

V

V

T

V

V

L

T

T

P

P

H
|
H

I

I

A
x
G

A

S

E

A

T

T

R

F

P

E

A

A

-

R

-

E

S

A

A

M

A

A

R

E

V

L

I

V

A

A

E

R

N

N

I

L

R

I

R

A

F

F

E

K

A

R

G

G

E

E

V

I

P

P

L

P

H

T

L

L

V

V

D

N

R

K

S

E

active site: R241 (= R227), D265 (= D251), E270 (= E256), H288 (= H275)
binding glyoxylic acid: R241 (= R227), H288 (= H275)
binding nadp nicotinamide-adenine-dinucleotide phosphate: F158 (≠ L144), G159 (= G145), R160 (≠ A146), I161 (≠ L147), S180 (= S166), R181 (= R167), A211 (≠ V197), V212 (≠ L198), P213 (= P199), T218 (= T204), I239 (≠ P225), A240 (≠ G226), R241 (= R227), H288 (= H275), G290 (≠ A277)

Sites not aligning to the query:

active site: 100
binding glyoxylic acid: 52, 53, 53, 74, 75, 76, 77
binding nadp nicotinamide-adenine-dinucleotide phosphate: 76, 104

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)
35% identity, 54% coverage: 133:300/312 of query aligns to 133:301/308 of 5mhaB

query
sites
5mhaB

L

L

A

A

R

G

D

E

R

R

S

-

V

V

V

C

V

V

L

V

G

G

L
|
L

G
|
G

A
x
T

L
|
L

G

G

G

R

A

G

C

V

A

V

Q

D

T

R

L

A

A

A

G

A

L

L

G

G

F

M

Q

E

V

V

T

V

G

G

W

V

S
x
R

R
|
R

T
x
S

Q

G

K

D

T

P

L

V

P

D

G

N

V

V

T

S

C

T

L

V

S

Y

G

T

A
x
P

E

D

G

R

L

L

R

H

A

E

A

A

L

I

S

A

R

D

A

A

E

R

I

F

L

V

V

V

T

L

V

A

L
x
T

P
|
P

N

L

T

T

P

D

E

E

T
|
T

T

E

D

G

L

M

L

V

N

A

T

A

E

P

T

E

L
x
F

A
x
E

L

T

L
x
M

P

R

K

E

G

D

A

A

V

S

I

L

L

V

N

N

P
x
V

G
x
A

R
|
R

G

G

N

P

L

V

I

V

D

V

D

E

D

S

A

D

L

L

L

V

A

A

L

L

D

D

A

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

V

E

E

E

P

P

L

L

P

P

P

E

E

D

H

S

P

P

Y

L

W

W

A

D

H

F

P

E

K

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

-
x
Y

-

H

A

E

S

D

A

V

A

A

R

A

V

L

I

I

A

R

E

E

N

N

I

I

R

E

R

K

F

I

E

A

A

T

G

G

E

D

binding 2-Ketohexanoic acid: R226 (= R227), H274 (= H275), Y282 (vs. gap)
binding (2R)-2-hydroxyhexanoic acid: Y282 (vs. gap)
binding magnesium ion: F212 (≠ L213), E213 (≠ A214), M215 (≠ L216), D243 (≠ Q244)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: L143 (= L144), G144 (= G145), T145 (≠ A146), L146 (= L147), R165 (≠ S166), R166 (= R167), S167 (≠ T168), P180 (≠ A181), T197 (≠ L198), P198 (= P199), T203 (= T204), V224 (≠ P225), A225 (≠ G226), R226 (= R227), H274 (= H275), S276 (≠ A277)

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)
35% identity, 54% coverage: 133:300/312 of query aligns to 133:301/308 of 5mhaA

query
sites
5mhaA

L

L

A
|
A

R

G

D

E

R

R

S

-

V

V

V

C

V

V

L

V

G

G

L
|
L

G
|
G

A
x
T

L
|
L

G

G

G

R

A

G

C

V

A

V

Q

D

T

R

L

A

A

A

G

A

L

L

G

G

F

M

Q

E

V

V

T

V

G

G

W

V

S
x
R

R
|
R

T
x
S

Q

G

K

D

T

P

L

V

P

D

G

N

V

V

T

S

C

T

L

V

S

Y

G

T

A
x
P

E

D

G

R

L

L

R

H

A

E

A

A

L

I

S

A

R

D

A

A

E

R

I

F

L

V

V

V

T

L

V

A

L
x
T

P
|
P

N

L

T

T

P

D

E

E

T
|
T

T

E

D

G

L

M

L

V

N

A

T

A

E

P

T

E

L

F

A

E

L

T

L

M

P

R

K

E

G

D

A

A

V

S

I

L

L

V

N

N

P
x
V

G
x
A

R
|
R

G

G

N

P

L

V

I

V

D

V

D

E

D

S

A

D

L

L

L

V

A

A

L

L

D

D

A

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

V

E

E

E

P

P

L

L

P

P

P

E

E

D

H

S

P

P

Y

L

W

W

A

D

H

F

P

E

K

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

-
x
Y

-

H

A

E

S

D

A

V

A

A

R

A

V

L

I

I

A

R

E

E

N

N

I

I

R

E

R

K

F

I

E

A

A

T

G

G

E

D

binding 2-Ketohexanoic acid: R226 (= R227), H274 (= H275), Y282 (vs. gap)
binding magnesium ion: A134 (= A134)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: L143 (= L144), G144 (= G145), T145 (≠ A146), L146 (= L147), R165 (≠ S166), R166 (= R167), S167 (≠ T168), P180 (≠ A181), T197 (≠ L198), P198 (= P199), T203 (= T204), V224 (≠ P225), A225 (≠ G226), R226 (= R227), H274 (= H275), S276 (≠ A277)

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)
35% identity, 54% coverage: 133:300/312 of query aligns to 133:301/308 of 5mh5A

query
sites
5mh5A

L

L

A
|
A

R

G

D

E

R

R

S

-

V

V

V

C

V

V

L

V

G
|
G

L
|
L

G
|
G

A
x
T

L
|
L

G

G

G

R

A

G

C

V

A

V

Q

D

T

R

L

A

A

A

G

A

L

L

G

G

F

M

Q

E

V

V

T

V

G

G

W

V

S
x
R

R
|
R

T
x
S

Q

G

K

D

T

P

L

V

P

D

G

N

V

V

T

S

C

T

L

V

S

Y

G

T

A

P

E

D

G

R

L

L

R

H

A

E

A

A

L

I

S

A

R

D

A

A

E

R

I

F

L

V

V

V

T

L

V

A

L
x
T

P
|
P

N

L

T

T

P

D

E

E

T
|
T

T

E

D

G

L

M

L

V

N

A

T

A

E

P

T

E

L
x
F

A
x
E

L

T

L
x
M

P

R

K

E

G

D

A

A

V

S

I

L

L

V

N

N

P
x
V

G
x
A

R
|
R

G

G

N

P

L

V

I

V

D

V

D

E

D

S

A

D

L

L

L

V

A

A

L

L

D

D

A

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

V

E

E

E

P

P

L

L

P

P

P

E

E

D

H

S

P

P

Y

L

W

W

A

D

H

F

P

E

K

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

-
x
Y

-

H

A

E

S

D

A

V

A

A

R

A

V

L

I

I

A

R

E

E

N

N

I

I

R

E

R

K

F

I

E

A

A

T

G

G

E

D

binding 2-Ketohexanoic acid: R226 (= R227), H274 (= H275), Y282 (vs. gap)
binding magnesium ion: A134 (= A134), F212 (≠ L213), E213 (≠ A214), M215 (≠ L216), D243 (≠ Q244)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G142 (= G143), L143 (= L144), G144 (= G145), T145 (≠ A146), L146 (= L147), R165 (≠ S166), R166 (= R167), S167 (≠ T168), T197 (≠ L198), P198 (= P199), T203 (= T204), V224 (≠ P225), A225 (≠ G226), R226 (= R227), H274 (= H275), S276 (≠ A277)

Sites not aligning to the query:

5mh6A D-2-hydroxyacid dehydrogenases (d2-hdh) from haloferax mediterranei in complex with 2-ketohexanoic acid and NAD+ (1.35 a resolution)
35% identity, 54% coverage: 133:300/312 of query aligns to 131:299/306 of 5mh6A

query
sites
5mh6A

L

L

A
|
A

R

G

D

E

R

R

S

-

V

V

V

C

V

V

L

V

G

G

L

L

G
|
G

A
x
T

L
|
L

G

G

G

R

A

G

C

V

A

V

Q

D

T

R

L

A

A

A

G

A

L

L

G

G

F

M

Q

E

V

V

T

V

G

G

W

V

S

R

R
|
R

T

S

Q

G

K

D

T

P

L

V

P

D

G

N

V

V

T

S

C

T

L

V

S

Y

G

T

A

P

E

D

G

R

L

L

R

H

A

E

A

A

L

I

S

A

R

D

A

A

E

R

I

F

L

V

V

V

T

L

V

A

L

T

P
|
P

N

L

T

T

P

D

E

E

T
|
T