SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_058857324.1 NCBI__GCF_001482365.1:WP_058857324.1 to proteins with known functional sites using BLASTp with E ≤ 0.001.

Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures

Found 20 (the maximum) hits to proteins with known functional sites (download)

5mh6A D-2-hydroxyacid dehydrogenases (d2-hdh) from haloferax mediterranei in complex with 2-ketohexanoic acid and NAD+ (1.35 a resolution)
34% identity, 78% coverage: 62:317/327 of query aligns to 51:305/306 of 5mh6A

query
sites
5mh6A

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binding 2-Ketohexanoic acid: R64 (≠ A78), A65 (= A79), G66 (= G80), H89 (≠ F103), R224 (= R236), H272 (= H284), Y280 (≠ W292)
binding magnesium ion: T130 (≠ R141), A132 (= A143), F210 (= F222), E211 (≠ A223), M213 (= M225), G225 (= G237), P226 (≠ A238), V228 (= V240), E230 (= E242), D241 (≠ E253), S251 (≠ A263)
binding nicotinamide-adenine-dinucleotide: A65 (= A79), G66 (= G80), T86 (≠ H100), H89 (≠ F103), G142 (= G153), T143 (≠ G154), L144 (≠ I155), R164 (= R175), P196 (= P208), T201 (= T213), V222 (= V234), A223 (≠ G235), R224 (= R236), H272 (= H284), S274 (= S286)

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)
34% identity, 78% coverage: 62:317/327 of query aligns to 53:307/308 of 5mhaB

query
sites
5mhaB

R

R

D

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binding 2-Ketohexanoic acid: R66 (≠ A78), R226 (= R236), H274 (= H284), Y282 (≠ W292)
binding (2R)-2-hydroxyhexanoic acid: R66 (≠ A78), A67 (= A79), G68 (= G80), H91 (≠ F103), Y282 (≠ W292)
binding magnesium ion: F212 (= F222), E213 (≠ A223), M215 (= M225), D243 (≠ E253)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: A67 (= A79), G68 (= G80), T88 (≠ H100), L143 (≠ T152), G144 (= G153), T145 (≠ G154), L146 (≠ I155), R165 (≠ G174), R166 (= R175), S167 (≠ A176), P180 (≠ S190), T197 (≠ A207), P198 (= P208), T203 (= T213), V224 (= V234), A225 (≠ G235), R226 (= R236), H274 (= H284), S276 (= S286)

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)
34% identity, 78% coverage: 62:317/327 of query aligns to 53:307/308 of 5mhaA

query
sites
5mhaA

R

R

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binding 2-Ketohexanoic acid: R66 (≠ A78), A67 (= A79), G68 (= G80), H91 (≠ F103), R226 (= R236), H274 (= H284), Y282 (≠ W292)
binding magnesium ion: T132 (≠ R141), A134 (= A143)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: A67 (= A79), G68 (= G80), T88 (≠ H100), L143 (≠ T152), G144 (= G153), T145 (≠ G154), L146 (≠ I155), R165 (≠ G174), R166 (= R175), S167 (≠ A176), P180 (≠ S190), T197 (≠ A207), P198 (= P208), T203 (= T213), V224 (= V234), A225 (≠ G235), R226 (= R236), H274 (= H284), S276 (= S286)

5mh5A D-2-hydroxyacid dehydrogenases (d2-hdh) from haloferax mediterranei in complex with 2-keto-hexanoic acid and NADP+ (1.4 a resolution)
34% identity, 78% coverage: 62:317/327 of query aligns to 53:307/308 of 5mh5A

query
sites
5mh5A

R

R

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binding 2-Ketohexanoic acid: R66 (≠ A78), A67 (= A79), G68 (= G80), H91 (≠ F103), R226 (= R236), H274 (= H284), Y282 (≠ W292)
binding magnesium ion: T132 (≠ R141), A134 (= A143), F212 (= F222), E213 (≠ A223), M215 (= M225), D243 (≠ E253)
binding nadp nicotinamide-adenine-dinucleotide phosphate: A67 (= A79), G68 (= G80), T88 (≠ H100), G142 (= G151), L143 (≠ T152), G144 (= G153), T145 (≠ G154), L146 (≠ I155), R165 (≠ G174), R166 (= R175), S167 (≠ A176), T197 (≠ A207), P198 (= P208), T203 (= T213), V224 (= V234), A225 (≠ G235), R226 (= R236), H274 (= H284), S276 (= S286)

5vg6B Crystal structure of d-isomer specific 2-hydroxyacid dehydrogenase from xanthobacter autotrophicus py2 in complex with NADPH and mes.
36% identity, 78% coverage: 70:323/327 of query aligns to 65:315/315 of 5vg6B

query
sites
5vg6B

S

N

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L

V

F

A

-

R

D

D

G

D

L

L

R

-

A

-

S

P

D

D

V

V

V

P

V

V

T

T

N
x
R

-

L

A

S

H

D

G

P

A

N

F
x
M

D

S

G

Q

P

M

I
x
M

A

A

E

S

F

F

V

V

L

L

A

F

S

C

V

V

L

L

A

R

H

H

D

A

K

R

Q

D

L

I

H

P

P

T

S

F

K

E

E

R

L

A

Q

Q

R

R

R

E

G

G

V

R

W

W

R

H

H

Y

R

V

E

H

L

P

R

R

R

T

T

A

A

A

G

E

R

I

H

R

A

V

L

G

V

V

V

L

G

G

T
x
L

G
|
G

G
x
D

I
x
L

G

G

R

A

A

A

T

A

A

A

R

L

L

E

L

L

R

A

A

R

V

H

G

G

L

F

E

D

V

V

R

R

G

G

A
x
W

G
x
S

R
|
R

A
x
T

A

P

R
x
K

E

A

D

L

D

E

P

-

D

G

F

V

G

S

T

C

V

F

V

H

P

G

S

L

A

E

E

A

L

L

A

P

E

G

H

F

A

L

G

A

W

G

A

S

D

E

H

I

L

V

V

V

L

V

I

M

A
x
L

P
|
P

L

L

T

T

E

P

D

E

T
|
T

R

R

G

G

I

L

A

M

G

N

A

A

E

E

V

R

F

L

A

A

A

H

M

L

R

P

P

R

T

G

A

A

H

K

L

F

V

I

N

N

V
|
V

G

A

R
|
R

G

G

A

P

L

V

V

V

D

D

E

E

P

A

A

A

L

L

V

I

R

A

A

A

L

L

Q

R

R

S

D

G

E

H

I

I

A

A

A

E

A

A

S

T

L

L

D
|
D

V

V

F

F

A

E

E

V

E
|
E

P

P

L

L

P

P

A

V

E

G

H

S

P

P

F

L

W

W

R

A

M

M

D

D

N

N

V

V

H

L

V

V

S

T

A

P

H
|
H

M

L

S
x
A

G
x
S

D

-

V

-

V

I

G

A

W

I

R

P

D

R

T

T

L

A

A

A

D

P

Q

Q

F

I

A

V

D

E

N

N

L

I

A

R

R

R

W

I

C

E

A

A

G

G

E

E

D

P

L

V

V

L

N

N

Q

Q

V

V

D

D

K

P

Q

R

L

R

G

G

W
x
Y

active site: M98 (≠ F103), R230 (= R236), D254 (= D260), E259 (= E265), H278 (= H284)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: A74 (= A79), R92 (≠ N98), M102 (≠ I107), L147 (≠ T152), G148 (= G153), D149 (≠ G154), L150 (≠ I155), W168 (≠ A173), S169 (≠ G174), R170 (= R175), T171 (≠ A176), K173 (≠ R178), L201 (≠ A207), P202 (= P208), T207 (= T213), V228 (= V234), R230 (= R236), H278 (= H284), A280 (≠ S286), S281 (≠ G287), Y315 (≠ W323)

6biiA Crystal structure of pyrococcus yayanosii glyoxylate hydroxypyruvate reductase in complex with NADP and malonate (re-refinement of 5aow) (see paper)
32% identity, 81% coverage: 62:326/327 of query aligns to 58:329/332 of 6biiA

query
sites
6biiA

R

R

D

E

A

V

W

F

P

D

H

A

A

A

G

P

S

R

L

L

E

R

W

I

V

V

H

A

V

N

A

Y

A

A

A
x
V

G

G

V

Y

D

D

S

N

L

I

L

D

F

I

D

E

G

E

L

A

R

T

A

K

S

R

D

G

V

I

V

Y

V

V

T

T

N

N

A

T

H

P

G

D

A

V

F
x
L

D

T

G

D

P

A

I
x
T

A

A

E

D

F

L

V

A

L

W

A

A

S

L

V

L

L

L

A

A

H

A

D

A

K

R

Q

H

L

V

H

V

P

K

S

G

K

D

E

K

L

F

Q

V

R

R

R

S

G

G

V

E

W

W

R

K

H

R

R

R

E

G

L

I

-

A

-

W

-

H

-

P

-

K

-

M

-

F

-

L

-

G

R

Y

R

D

T

V

A

Y

G

G

R

K

H

T

A

I

L

G

V

I

V

V

G
|
G

T
x
F

G
|
G

G
x
R

I
|
I

G

G

R

Q

A

A

T

I

A

A

R

K

L

R

L

A

R

K

A

G

V

F

G

G

L

M

E

R

V

I

R

L

G

Y

A

T

G
x
A

R
|
R

A
x
S

A

R

R
x
K

-

P

E

E

D

A

D

E

P

K

D

E

F

L

G

G

T

A

-

E

V

F

V

K

P

P

S

L

A

E

E

E

L

L

A

L

E

R

H

E

A

S

G

-

W

-

A

-

D

D

H

F

L

V

V

V

L

L

I

A

A
x
V

P
|
P

L

L

T

T

E

K

D
x
E

T
|
T

R

Y

G

H

I

M

A

I

G

N

A

E

E

E

V

R

F

L

A

R

A

L

M

M

R

K

P

P

T

T

A

A

H

V

L

L

V

V

N

N

V
|
V

G
x
A

R
|
R

G

G

A

K

L

V

V

V

D

D

E

T

P

K

A

A

L

L

V

I

R

R

A

A

L

L

Q

K

R

E

D

G

E

W

I

I

A

A

S

G

L

L

D
|
D

V

V

F

F

A

E

E

E

E
|
E

P

P

L

Y

P

Y

A

D

E

E

H

E

P

L

F

F

W

A

R

-

M

L

D

D

N

N

V

V

H

V

V

L

S

T

A

P

H
|
H

M

I

S
x
G

G

S

D

A

V

T

V

F

G

G

W

A

R

R

D

E

T

G

L

M

A

A

D

E

Q

L

F

V

A

A

D

K

N

N

L

L

A

I

R

A

W

F

C

K

A

N

G

G

E

E

D

V

L

P

V

P

N

T

Q

L

V

V

D

N

K

R

Q

E

L

V

G

L

W

K

V

V

R

R

active site: L99 (≠ F103), R240 (= R236), D264 (= D260), E269 (= E265), H287 (= H284)
binding nadp nicotinamide-adenine-dinucleotide phosphate: V75 (≠ A79), T103 (≠ I107), G156 (= G151), F157 (≠ T152), G158 (= G153), R159 (≠ G154), I160 (= I155), A179 (≠ G174), R180 (= R175), S181 (≠ A176), K183 (≠ R178), V211 (≠ A207), P212 (= P208), E216 (≠ D212), T217 (= T213), V238 (= V234), A239 (≠ G235), R240 (= R236), D264 (= D260), H287 (= H284), G289 (≠ S286)

3bazA Structure of hydroxyphenylpyruvate reductase from coleus blumei in complex with NADP+ (see paper)
31% identity, 79% coverage: 61:317/327 of query aligns to 59:310/311 of 3bazA

query
sites
3bazA

L

L

R

I

D

D

A

A

W

L

P

P

H

K

A

-

G

-

S

-

L

L

E

E

W

I

V

V

H

S

V

S

A

F

A

S

A
x
V

G

G

V

L

D

D

S

K

L

V

L

D

F

L

D

I

G

K

L

C

R

E

A

E

S

K

D

G

V

V

V

R

V

V

T

T

N

N

A

T

H

P

G

D

A

V

F
x
L

D

T

G

D

P

D

I

V

A

A

E

D

F

L

V

A

L

I

A

G

S

L

V

I

L

L

A

A

H

V

D

L

K

R

Q

R

L

I

H

C

P

E

S

C

K

D

E

K

L

Y

Q

V

R

R

G

G

V

A

W

W

R

K

H

F

R

G

E

D

L

F

R

K

R

L

T

T

-

T

-

K

-

F

A

S

G

G

R

K

H

R

A

V

L

G

V

I

G
|
G

T
x
L

G
|
G

G
x
R

I
|
I

G

G

R

L

A

A

T

V

A

A

R

E

L

R

L

A

R

E

A

A

V

F

G

D

L

C

E

P

V

I

R

S

G

Y

A

F

G
x
S

R
|
R

A
x
S

A

K

R

K

E

P

D

N

D

T

-

N

-

Y

P

T

D

Y

F

Y

G

G

T

S

V

V

P

-

S

-

A

-

E

-

L

-

A

-

E

E

H

L

A

A

G

S

W

N

A

S

D

D

H

I

L

L

V

V

L

V

I

A

A
x
C

P
|
P

L

L

T

T

E

P

D

E

T
|
T

R

T

G

H

I

I

A

I

G

N

A

R

E

E

V

V

F

I

A

D

A

A

M

L

R

G

P

P

T

K

A

G

H

V

L

L

V

I

N

N

V
x
I

G
|
G

R
|
R

G

G

A

P

L

H

V

V

D

D

E

E

P

P

A

E

L

L

V

V

R

S

A

A

L

L

Q

V

R

E

D

G

E

R

I

L

A

G

A
|
A

S

G

L

L

D
|
D

V

V

F

F

A

E

E

R

E
|
E

P

P

L

E

P

V

A

P

E

E

H

K

P

L

F

F

W

G

R

-

M

L

D

E

N

N

V

V

H

V

V

L

S

L

A

P

H
|
H

M

V

S
x
G

G

S

D

G

V

T

V

V

G

E

W

T

R

R

D

K

T

V

L

M

A

A

D

D

Q

L

F

V

A

V

D

G

N

N

L

L

A

E

R

A

W

H

C

F

A

S

G

G

E

K

D

P

L

L

V

L

N

T

Q

P

V

V

active site: L98 (≠ F103), R230 (= R236), A251 (= A257), D254 (= D260), E259 (= E265), H277 (= H284)
binding nadp nicotinamide-adenine-dinucleotide phosphate: V74 (≠ A79), G149 (= G151), L150 (≠ T152), G151 (= G153), R152 (≠ G154), I153 (= I155), S172 (≠ G174), R173 (= R175), S174 (≠ A176), C201 (≠ A207), P202 (= P208), T207 (= T213), I228 (≠ V234), G229 (= G235), R230 (= R236), D254 (= D260), H277 (= H284), G279 (≠ S286)

Q65CJ7 Hydroxyphenylpyruvate reductase; HPPR; EC 1.1.1.237 from Plectranthus scutellarioides (Coleus) (Solenostemon scutellarioides) (see paper)
31% identity, 79% coverage: 61:317/327 of query aligns to 61:312/313 of Q65CJ7

query
sites
Q65CJ7

L

L

R

I

D

D

A

A

W

L

P

P

H

K

A

-

G

-

S

-

L

L

E

E

W

I

V

V

H

S

V

S

A

F

A

S

A

V

G

G

V

L

D

D

S

K

L

V

L

D

F

L

D

I

G

K

L

C

R

E

A

E

S

K

D

G

V

V

V

R

V

V

T

T

N

N

A

T

H

P

G

D

A

V

F

L

D

T

G

D

P

D

I

V

A

A

E

D

F

L

V

A

L

I

A

G

S

L

V

I

L

L

A

A

H

V

D

L

K

R

Q

R

L

I

H

C

P

E

S

C

K

D

E

K

L

Y

Q

V

R

R

G

G

V

A

W

W

R

K

H

F

R

G

E

D

L

F

R

K

R

L

T

T

-

T

-

K

-

F

A

S

G

G

R

K

H

R

A

V

L

G

V

I

G

G

T
x
L

G
|
G

G
x
R

I
|
I

G

G

R

L

A

A

T

V

A

A

R

E

L

R

L

A

R

E

A

A

V

F

G

D

L

C

E

P

V

I

R

S

G

Y

A

F

G
x
S

R
|
R

A
x
S

A

K

R

K

E

P

D

N

D

T

-

N

-

Y

P

T

D

Y

F

Y

G

G

T

S

V

V

P

-

S

-

A

-

E

-

L

-

A

-

E

E

H

L

A

A

G

S

W

N

A

S

D

D

H

I

L

L

V

V

L

V

I

A

A

C

P

P

L

L

T

T

E

P

D

E

T

T

R

T

G

H

I

I

A

I

G

N

A

R

E

E

V

V

F

I

A

D

A

A

M

L

R

G

P

P

T

K

A

G

H

V

L

L

V

I

N

N

V
x
I

G

G

R

R

G

G

A

P

L

H

V

V

D

D

E

E

P

P

A

E

L

L

V

V

R

S

A

A

L

L

Q

V

R

E

D

G

E

R

I

L

A

G

A

A

S

G

L

L

D
|
D

V

V

F

F

A

E

E

R

E

E

P

P

L

E

P

V

A

P

E

E

H

K

P

L

F

F

W

G

R

-

M

L

D

E

N

N

V

V

H

V

V

L

S

L

A

P

H

H

M

V

S

G

G

S

D

G

V

T

V

V

G

E

W

T

R

R

D

K

T

V

L

M

A

A

D

D

Q

L

F

V

A

V

D

G

N

N

L

L

A

E

R

A

W

H

C

F

A

S

G

G

E

K

D

P

L

L

V

L

N

T

Q

P

V

V

LGRI 152:155 (≠ TGGI 152:155) binding NADP(+)
SRS 174:176 (≠ GRA 174:176) binding NADP(+)
I230 (≠ V234) binding NADP(+)
D256 (= D260) binding NADP(+)

5aovA Ternary crystal structure of pyrococcus furiosus glyoxylate hydroxypyruvate reductase in presence of glyoxylate (see paper)
28% identity, 81% coverage: 62:326/327 of query aligns to 59:330/334 of 5aovA

query
sites
5aovA

R

Q

D

E

A

V

W

F

P

E

H

N

A

A

G

P

S

R

L

L

E

R

W

I

V

V

H

A

V

N

A
x
Y

A
|
A

A
x
V

G
|
G

V

Y

D

D

S

N

L

I

L

D

F

V

D

E

G

E

L

A

R

T

A

R

S

R

D

G

V

I

V

Y

V

V

T

T

N

N

A

T

H

P

G

D

A

V

F
x
L

D

T

G

N

P

A

I
x
T

A

A

E

D

F

H

V

A

L

F

A

A

S

L

V

L

L

L

A

A

H

T

D

A

K

R

Q

H

L

V

H

V

P

K

S

G

K

D

E

K

L

F

Q

V

R

R

R

S

G

G

V

E

W

W

R

K

H

R

R

K

E

G

L

I

-

A

-

W

-

H

-

P

-

K

-

W

-

F

-

L

-

G

R

Y

R

E

T

L

A

Y

G

G

R

K

H

T

A

I

L

G

V

I

V

V

G

G

T
x
F

G
|
G

G
x
R

I
|
I

G

G

R

Q

A

A

T

I

A

A

R

R

L

R

L

A

R

K

A

G

V

F

G

N

L

M

E

R

V

I

R

L

G

Y

A

Y

G
x
S

R
|
R

A

T

A

R

R

K

E

S

D

Q

-

A

D

E

P

K

D

E

F

L

G

G

T

A

V

-

P

E

S

Y

A

R

E

P

L

L

A

E

E

E

H

V

A

L

G

K

W

E

A

S

D

D

H

F

L

V

V

I

L

L

I
x
A

A
x
V

P
|
P

L

L

T

T

E

K

D

E

T
|
T

R

M

G

Y

I

M

A

I

G

N

A

E

E

E

V

R

F

L

A

K

A

L

M

M

R

K

P

P

T

T

A

A

H

I

L

L

V

V

N

N

V
x
I

G
x
A

R
|
R

G

G

A

K

L

V

V

V

D

D

E

T

P

K

A

A

L

L

V

I

R

K

A

A

L

L

Q

K

R

E

D

G

E

W

I

I

A

A

A

G

A

A

S

G

L

L

D
|
D

V

V

F

F

A

E

E

E

E
|
E

P

P

L

Y

P

Y

A

N

E

E

H

E

P

L

F

F

W

-

R

S

M

L

D

D

N

N

V

V

H

V

V

L

S

T

A

P

H
|
H

M

I

S
x
G

G

S

D

A

V

T

V

F

G

E

W

A

R

R

D

E

T

A

L

M

A

A

D

E

Q

L

F

V

A

A

D

R

N

N

L

L

A

I

R

A

W

F

C

K

A

R

G

G

E

E

D

I

L

P

V

P

N

T

Q

L

V

V

D

N

K

K

Q

E

L

V

G

I

W

K

V

I

R

R

R

K

active site: L100 (≠ F103), R241 (= R236), D265 (= D260), E270 (= E265), H288 (= H284)
binding glyoxylic acid: Y74 (≠ A77), A75 (= A78), V76 (≠ A79), G77 (= G80), R241 (= R236), H288 (= H284)
binding nadp nicotinamide-adenine-dinucleotide phosphate: V76 (≠ A79), T104 (≠ I107), F158 (≠ T152), G159 (= G153), R160 (≠ G154), I161 (= I155), S180 (≠ G174), R181 (= R175), A211 (≠ I206), V212 (≠ A207), P213 (= P208), T218 (= T213), I239 (≠ V234), A240 (≠ G235), R241 (= R236), H288 (= H284), G290 (≠ S286)

Sites not aligning to the query:

binding glyoxylic acid: 52, 53, 53

5v6qB Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase smc04462 (smghrb) from sinorhizobium meliloti in complex with NADP and malonate (see paper)
32% identity, 94% coverage: 7:313/327 of query aligns to 3:307/319 of 5v6qB

query
sites
5v6qB

R

R

P

P

K

R

V

I

V

L

V

V

L

-

T

-

A

-

G

-

T

-

P

P

P

G

P

K

Y

I

N

N

T

P

A

R

T

V

L

L

E

E

E

R

H

L

A

P

E

E

L

M

V

F

Q

E

T

T

-

V

-

R

-

I

-

E

-

R

-

A

D

D

A

A

G

L

L

V

P

T

G

A

A

D

L

M

P

R

G

D

A

V

R

S

A

G

L

I

L

A

V

V

W

S

D

G

F

K

F

L

S

P

P

V

A

P

L

L

R

M

D

D

A

A

W

F

P

P

H

-

A

-

G

-

S

S

L

L

E

E

W

I

V

V

H

A

V

N

A

F

A

G

A
x
V

G

G

V

Y

D

D

S

G

L

V

L

D

F

V

D

S

G

R

L

A

R

A

A

A

S

R

D

G

V

I

V

V

T

T

N

N

A

T

H

P

G

D

A

V

F
x
L

D

T

G

E

P

E

I
x
V

A

A

E

D

F

T

V

A

L

I

A

G

S

L

V

L

L

L

A

N

H

T

D

L

K

R

Q

L

L

L

H

P

P

Q

S

A

K

E

E

Q

L

W

Q

L

R

R

R

Q

G

G

V

R

W

W

R

V

H

R

R

E

-

G

-

A

-

F

-

P

-

L

-

S

-

P

-

L

E

S

L

L

R

R

R

-

T

-

A

-

G

G

R

R

H

T

A

V

L

G

V

L

V
x
F

G

G

T
x
L

G
|
G

G
x
R

I
|
I

G

G

R

L

A

A

T

I

A

A

R

R

L

R

L

L

R

E

A

A

V

F

G

G

L

V

E

S

V

I

R

A

G

Y

A

H

G
x
T

R
|
R

A

T

A

P

R

R

E

E

D

G

D

-

P

-

D

-

F

L

G

G

-

F

T

T

V

Y

V

H

P

P

S

T

A

-

E

-

L

L

A

V

E

G

H

M

A

A

G

E

W

A

A

V

D

D

H

T

L

L

V

I

L

V

I

I

A
x
V

P
|
P

L

G

T

T

E

A

D
x
S

T
|
T

R

L

G

K

I

A

A

V

G

N

A

A

E

D

V

V

F

L

A

S

A

A

M

L

R

G

P

P

T

K

A

G

H

V

L

L

V

I

N

N

V
|
V

G
|
G

R
|
R

G

G

A

S

L

T

V

V

D

D

E

E

P

A

A

A

L

L

V

V

R

T

A

A

L

L

Q

Q

R

N

D

G

E

T

I

I

A

A

A

G

A

A

S

G

L

L

D
|
D

V

V

F

F

A

E

E

N

E
|
E

P

P

L

N

P

V

A

P

E

E

H

A

P

-

F

L

W

L

R

S

M

F

D

P

N

N

V

V

H

S

V

L

S

L

A

P

H
|
H

M

V

S
x
A

G

S

D

A

V

S

V

V

G

V

W

T

R

R

D

N

T

A

L

M

A

S

D

D

Q

L

F

V

A

V

D

D

N

N

L

L

A

K

R

A

W

W

C

F

A

S

-

T

G

G

E

E

D

A

L

L

active site: L96 (≠ F103), R230 (= R236), D254 (= D260), E259 (= E265), H277 (= H284)
binding nadp nicotinamide-adenine-dinucleotide phosphate: V72 (≠ A79), V100 (≠ I107), F148 (≠ V150), L150 (≠ T152), G151 (= G153), R152 (≠ G154), I153 (= I155), T172 (≠ G174), R173 (= R175), V201 (≠ A207), P202 (= P208), S206 (≠ D212), T207 (= T213), V228 (= V234), G229 (= G235), R230 (= R236), H277 (= H284), A279 (≠ S286)

5v7gA Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase smc04462 (smghrb) from sinorhizobium meliloti in complex with NADPH and oxalate (see paper)
32% identity, 94% coverage: 7:313/327 of query aligns to 1:305/317 of 5v7gA

query
sites
5v7gA

R

R

P

P

K

R

V

I

V

L

V

V

L

-

T

-

A

-

G

-

T

-

P

P

P

G

P

K

Y

I

N

N

T

P

A

R

T

V

L

L

E

E

E

R

H

L

A

P

E

E

L

M

V

F

Q

E

T

T

-

V

-

R

-

I

-

E

-

R

-

A

D

D

A

A

G

L

L

V

P

T

G

A

A

D

L

M

P

R

G

D

A

V

R

S

A

G

L

I

L

A

V

V

W

S

D

G

F

K

F

L

S

P

P

V

A

P

L

L

R

M

D

D

A

A

W

F

P

P

H

-

A

-

G

-

S

S

L

L

E

E

W

I

V

V

H

A

V

N

A

F

A
x
G

A
x
V

G
|
G

V

Y

D

D

S

G

L

V

L

D

F

V

D

S

G

R

L

A

R

A

A

A

S

R

D

G

V

I

V

V

T

T

N

N

A

T

H

P

G

D

A

V

F
x
L

D

T

G

E

P

E

I
x
V

A

A

E

D

F

T

V

A

L

I

A

G

S

L

V

L

L

L

A

N

H

T

D

L

K

R

Q

L

L

L

H

P

P

Q

S

A

K

E

E

Q

L

W

Q

L

R

R

R

Q

G

G

V

R

W

W

R

V

H

R

R

E

-

G

-

A

-

F

-

P

-

L

-

S

-

P

-

L

E

S

L

L

R

R

R

-

T

-

A

-

G

G

R

R

H

T

A

V

L

G

V

L

V
x
F

G

G

T
x
L

G
|
G

G
x
R

I
|
I

G

G

R

L

A

A

T

I

A

A

R

R

L

R

L

L

R

E

A

A

V

F

G

G

L

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E

S

V

I

R

A

G

Y

A

H

G
x
T

R
|
R

A

T

A

P

R

R

E

E

D

G

D

-

P

-

D

-

F

L

G

G

-

F

T

T

V

Y

V

H

P

P

S

T

A

-

E

-

L

L

A

V

E

G

H

M

A

A

G

E

W

A

A

V

D

D

H

T

L

L

V

I

L

V

I

I

A
x
V

P
|
P

L

G

T

T

E

A

D
x
S

T
|
T

R

L

G

K

I

A

A

V

G

N

A

A

E

D

V

V

F

L

A

S

A

A

M

L

R

G

P

P

T

K

A

G

H

V

L

L

V

I

N

N

V
|
V

G
|
G

R
|
R

G

G

A

S

L

T

V

V

D

D

E

E

P

A

A

A

L

L

V

V

R

T

A

A

L

L

Q

Q

R

N

D

G

E

T

I

I

A

A

A

G

A

A

S

G

L

L

D
|
D

V

V

F

F

A

E

E

N

E
|
E

P

P

L

N

P

V

A

P

E

E

H

A

P

-

F

L

W

L

R

S

M

F

D

P

N

N

V

V

H

S

V

L

S

L

A

P

H
|
H

M

V

S
x
A

G

S

D

A

V

S

V

V

G

V

W

T

R

R

D

N

T

A

L

M

A

S

D

D

Q

L

F

V

A

V

D

D

N

N

L

L

A

K

R

A

W

W

C

F

A

S

-

T

G

G

E

E

D

A

L

L

active site: L94 (≠ F103), R228 (= R236), D252 (= D260), E257 (= E265), H275 (= H284)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: V70 (≠ A79), V98 (≠ I107), F146 (≠ V150), L148 (≠ T152), G149 (= G153), R150 (≠ G154), I151 (= I155), T170 (≠ G174), R171 (= R175), V199 (≠ A207), P200 (= P208), S204 (≠ D212), T205 (= T213), V226 (= V234), G227 (= G235), R228 (= R236), H275 (= H284), A277 (≠ S286)
binding oxalate ion: G69 (≠ A78), V70 (≠ A79), G71 (= G80), R228 (= R236), H275 (= H284)

5j23A Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase smc04462 (smghrb) from sinorhizobium meliloti in complex with 2'-phospho-adp-ribose (see paper)
32% identity, 94% coverage: 7:313/327 of query aligns to 1:305/318 of 5j23A

query
sites
5j23A

R

R

P

P

K

R

V

I

V

L

V

V

L

-

T

-

A

-

G

-

T

-

P

P

P

G

P

K

Y

I

N

N

T

P

A

R

T

V

L

L

E

E

E

R

H

L

A

P

E

E

L

M

V

F

Q

E

T

T

-

V

-

R

-

I

-

E

-

R

-

A

D

D

A

A

G

L

L

V

P

T

G

A

A

D

L

M

P

R

G

D

A

V

R

S

A

G

L

I

L

A

V

V

W

S

D

G

F

K

F

L

S

P

P

V

A

P

L

L

R

M

D

D

A

A

W

F

P

P

H

-

A

-

G

-

S

S

L

L

E

E

W

I

V

V

H

A

V

N

A

F

A

G

A
x
V

G

G

V

Y

D

D

S

G

L

V

L

D

F

V

D

S

G

R

L

A

R

A

A

A

S

R

D

G

V

I

V

V

T

T

N

N

A

T

H

P

G

D

A

V

F
x
L

D

T

G

E

P

E

I

V

A

A

E

D

F

T

V

A

L

I

A

G

S

L

V

L

L

L

A

N

H

T

D

L

K

R

Q

L

L

L

H

P

P

Q

S

A

K

E

E

Q

L

W

Q

L

R

R

R

Q

G

G

V

R

W

W

R

V

H

R

R

E

-

G

-

A

-

F

-

P

-

L

-

S

-

P

-

L

E

S

L

L

R

R

R

-

T

-

A

-

G

G

R

R

H

T

A

V

L

G

V

L

V

F

G

G

T
x
L

G
|
G

G
x
R

I
|
I

G

G

R

L

A

A

T

I

A

A

R

R

L

R

L

L

R

E

A

A

V

F

G

G

L

V

E

S

V

I

R

A

G

Y

A

H

G
x
T

R
|
R

A

T

A

P

R

R

E

E

D

G

D

-

P

-

D

-

F

L

G

G

-

F

T

T

V

Y

V

H

P

P

S

T

A

-

E

-

L

L

A

V

E

G

H

M

A

A

G

E

W

A

A

V

D

D

H

T

L

L

V

I

L

V

I

I

A

V

P
|
P

L

G

T

T

E

A

D
x
S

T
|
T

R

L

G

K

I

A

A

V

G

N

A

A

E

D

V

V

F

L

A

S

A

A

M

L

R

G

P

P

T

K

A

G

H

V

L

L

V

I

N

N

V

V

G

G

R
|
R

G

G

A

S

L

T

V

V

D

D

E

E

P

A

A

A

L

L

V

V

R

T

A

A

L

L

Q

Q

R

N

D

G

E

T

I

I

A

A

A

G

A

A

S

G

L

L

D
|
D

V

V

F

F

A

E

E

N

E
|
E

P

P

L

N

P

V

A

P

E

E

H

A

P

-

F

L

W

L

R

S

M

F

D

P

N

N

V

V

H

S

V

L

S

L

A

P

H
|
H

M

V

S

A

G

S

D

A

V

S

V

V

G

V

W

T

R

R

D

N

T

A

L

M

A

S

D

D

Q

L

F

V

A

V

D

D

N

N

L

L

A

K

R

A

W

W

C

F

A

S

-

T

G

G

E

E

D

A

L

L

active site: L94 (≠ F103), R228 (= R236), D252 (= D260), E257 (= E265), H275 (= H284)
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 (≠ A79), L148 (≠ T152), G149 (= G153), R150 (≠ G154), I151 (= I155), T170 (≠ G174), R171 (= R175), P200 (= P208), S204 (≠ D212), T205 (= T213), R228 (= R236)

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)
32% identity, 94% coverage: 7:313/327 of query aligns to 2:306/319 of 5v7nA

query
sites
5v7nA

R

R

P

P

K

R

V

I

V

L

V

V

L

-

T

-

A

-

G

-

T

-

P

P

P

G

P

K

Y

I

N

N

T

P

A

R

T

V

L

L

E

E

E

R

H

L

A

P

E

E

L

M

V

F

Q

E

T

T

-

V

-

R

-

I

-

E

-

R

-

A

D

D

A

A

G

L

L

V

P

T

G

A

A

D

L

M

P

R

G

D

A

V

R

S

A

G

L

I

L

A

V

V

W

S

D

G

F

K

F

L

S

P

P

V

A

P

L

L

R

M

D

D

A

A

W

F

P

P

H

-

A

-

G

-

S

S

L

L

E

E

W

I

V

V

H

A

V

N

A

F

A
x
G

A
x
V

G
|
G

V

Y

D

D

S

G

L

V

L

D

F

V

D

S

G

R

L

A

R

A

A

A

S

R

D

G

V

I

V

V

T

T

N

N

A

T

H

P

G

D

A

V

F
x
L

D

T

G

E

P

E

I
x
V

A

A

E

D

F

T

V

A

L

I

A

G

S

L

V

L

L

L

A

N

H

T

D

L

K

R

Q

L

L

L

H

P

P

Q

S

A

K

E

E

Q

L

W

Q

L

R

R

R

Q

G

G

V

R

W

W

R

V

H

R

R

E

-

G

-

A

-

F

-

P

-

L

-

S

-

P

-

L

E

S

L

L

R

R

R

-

T

-

A

-

G

G

R

R

H

T

A

V

L

G

V

L

V

F

G

G

T
x
L

G
|
G

G
x
R

I
|
I

G

G

R

L

A

A

T

I

A

A

R

R

L

R

L

L

R

E

A

A

V

F

G

G

L

V

E

S

V

I

R

A

G

Y

A

H

G
x
T

R
|
R

A

T

A

P

R

R

E

E

D

G

D

-

P

-

D

-

F

L

G

G

-

F

T

T

V

Y

V

H

P

P

S

T

A

-

E

-

L

L

A

V

E

G

H

M

A

A

G

E

W

A

A

V

D

D

H

T

L

L

V

I

L

V

I

I

A
x
V

P
|
P

L

G

T

T

E

A

D
x
S

T
|
T

R

L

G

K

I

A

A

V

G

N

A

A

E

D

V

V

F

L

A

S

A

A

M

L

R

G

P

P

T

K

A

G

H

V

L

L

V

I

N

N

V
|
V

G
|
G

R
|
R

G

G

A

S

L

T

V

V

D

D

E

E

P

A

A

A

L

L

V

V

R

T

A

A

L

L

Q

Q

R

N

D

G

E

T

I

I

A

A

A

G

A

A

S

G

L

L

D
|
D

V

V

F

F

A

E

E

N

E
|
E

P

P

L

N

P

V

A

P

E

E

H

A

P

-

F

L

W

L

R

S

M

F

D

P

N

N

V

V

H

S

V

L

S

L

A

P

H
|
H

M

V

S
x
A

G
x
S

D

A

V

S

V

V

G

V

W

T

R
|
R

D

N

T

A

L

M

A

S

D

D

Q

L

F

V

A

V

D

D

N

N

L

L

A

K

R

A

W

W

C

F

A

S

-

T

G

G

E

E

D

A

L

L

active site: L95 (≠ F103), R229 (= R236), D253 (= D260), E258 (= E265), H276 (= H284)
binding 2-keto-D-gluconic acid: G70 (≠ A78), V71 (≠ A79), G72 (= G80), R229 (= R236), H276 (= H284), S279 (≠ G287), R285 (= R293)
binding nadp nicotinamide-adenine-dinucleotide phosphate: V71 (≠ A79), V99 (≠ I107), L149 (≠ T152), G150 (= G153), R151 (≠ G154), I152 (= I155), T171 (≠ G174), R172 (= R175), V200 (≠ A207), P201 (= P208), S205 (≠ D212), T206 (= T213), V227 (= V234), G228 (= G235), R229 (= R236), H276 (= H284), A278 (≠ S286)

Q9UBQ7 Glyoxylate reductase/hydroxypyruvate reductase; EC 1.1.1.79; EC 1.1.1.81 from Homo sapiens (Human) (see paper)
28% identity, 76% coverage: 70:317/327 of query aligns to 74:326/328 of Q9UBQ7

query
sites
Q9UBQ7

S

N

L

L

E

K

W

V

V

I

H

S

V

T

A

M

A

S

A
x
V

G
|
G

V

I

D

D

S

H

L

L

L

A

F

L

D

D

G

E

L

I

R

K

A

K

S

R

D

G

V

I

V

R

V

V

T

G

N

Y

A

T

H

P

G

D

A

V

F

L

D

T

G

D

P

T

I

T

A

A

E

E

F

L

V

A

L

V

A

S

S

L

V

L

L

L

A

T

H

T

D

C

K

R

Q

R

L

L

H

P

P

E

S

A

K

I

E

E

L

E

Q

V

R

K

R

N

G

G

V

G

W

W

R

T

-

S

-

W

-

K

-

P

-

L

-

W

-

L

-

C

-

G

H

Y

R

G

E

L

L

T

R

Q

R

S

T

T

A

V

G

G

R

-

H

-

A

-

L

-

V

I

G

G

T

L

G
|
G

G
x
R

I
|
I

G

G

R

Q

A

A

T

I

A

A

R

R

L

R

L

L

R

K

A

P

V

F

G

G

L

V

E

Q

-

R

V

F

R

L

G

Y

A

T

G

G

R
|
R

A
x
Q

A
x
P

R
|
R

-

P

E

E

D

E

D

A

P

A

D

E

F

F

-

Q

G

A

T

E

V

F

V

V

P

S

S

T

A

P

E

E

L

L

A

A

E

A

H

Q

A

S

G

-

W

-

A

-

D

D

H

F

L

I

V

V

L

V

I

A

A

C

P
x
S

L

L

T

T

E

P

D

A

T

T

R

E

G

G

I

L

A

C

G

N

A

K

E

D

V

F

F

F

A

Q

A

K

M

M

R

K

P

E

T

T

A

A

H

V

L

F

V

I

N

N

V
x
I

G

S

R
|
R

G

G

A

D

L

V

V

V

D

N

E

Q

P

D

A

D

L

L

V

Y

R

Q

A

A

L

L

Q

A

R

S

D

G

E

K

I

I

A

A

S

G

L

L

D
|
D

V

V

F

T

A

S

E

P

E

E

P

P

L

L

P

P

A

T

E

N

H

H

P

P

F

L

W

L

R

T

M

L

D

K

N

N

V

C

H

V

V

I

S

L

A

P

H
|
H

M
x
I

S
x
G

G
x
S

D

A

V

T

V

H

G

R

W

T

R

R

D

N

T

T

L

M

A

S

D

L

Q

L

F

A

A

A

D

N

N

N

L

L

A

L

R

A

W

G

C

L

A

R

G

G

E

E

D

P

L

M

V

P

N

S

Q

E

V

L

VG 83:84 (≠ AG 79:80) binding substrate
GRI 162:164 (≠ GGI 153:155) binding NADP(+)
RQPR 185:188 (≠ RAAR 175:178) binding NADP(+)
S217 (≠ P208) binding NADP(+)
I243 (≠ V234) binding NADP(+)
R245 (= R236) binding substrate
D269 (= D260) binding substrate
HIGS 293:296 (≠ HMSG 284:287) binding substrate
G295 (≠ S286) binding NADP(+)

2gcgA Ternary crystal structure of human glyoxylate reductase/hydroxypyruvate reductase (see paper)
28% identity, 76% coverage: 70:317/327 of query aligns to 70:322/324 of 2gcgA

query
sites
2gcgA

S

N

L

L

E

K

W

V

V

I

H

S

V

T

A

M

A
x
S

A
x
V

G
|
G

V

I

D

D

S

H

L

L

L

A

F

L

D

D

G

E

L

I

R

K

A

K

S

R

D

G

V

I

V

R

V

V

T

G

N

Y

A

T

H

P

G

D

A

V

F
x
L

D

T

G

D

P

T

I
x
T

A

A

E

E

F

L

V

A

L

V

A

S

S

L

V

L

L

L

A

T

H

T

D

C

K

R

Q

R

L

L

H

P

P

E

S

A

K

I

E

E

L

E

Q

V

R

K

R

N

G

G

V

G

W

W

R

T

-

S

-

W

-

K

-

P

-

L

-

W

-

L

-

C

-

G

H

Y

R

G

E

L

L

T

R

Q

R

S

T

T

A

V

G

G

R

-

H

-

A

-

L

-

V

I

G
|
G

T

L

G
|
G

G

R

I
|
I

G

G

R

Q

A

A

T

I

A

A

R

R