SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing BWI76_RS27925 BWI76_RS27925 D-isomer specific 2-hydroxyacid dehydrogenase 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)

Q65CJ7 Hydroxyphenylpyruvate reductase; HPPR; EC 1.1.1.237 from Plectranthus scutellarioides (Coleus) (Solenostemon scutellarioides) (see paper)
42% identity, 97% coverage: 5:309/314 of query aligns to 6:312/313 of Q65CJ7

query
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Q65CJ7

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LGRI 152:155 (≠ MGRI 149:152) binding
SRS 174:176 (≠ DRK 171:173) binding
I230 (= I227) binding
D256 (= D253) binding

3bazA Structure of hydroxyphenylpyruvate reductase from coleus blumei in complex with NADP+ (see paper)
42% identity, 97% coverage: 5:309/314 of query aligns to 4:310/311 of 3bazA

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active site: L98 (= L97), R230 (= R229), A251 (= A250), D254 (= D253), E259 (= E258), H277 (= H276)
binding nadp nicotinamide-adenine-dinucleotide phosphate: V74 (= V73), G149 (= G148), L150 (≠ M149), G151 (= G150), R152 (= R151), I153 (= I152), S172 (≠ D171), R173 (= R172), S174 (≠ K173), C201 (≠ T200), P202 (= P201), T207 (≠ N206), I228 (= I227), G229 (≠ S228), R230 (= R229), D254 (= D253), H277 (= H276), G279 (≠ A278)

5j23A Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase smc04462 (smghrb) from sinorhizobium meliloti in complex with 2'-phospho-adp-ribose (see paper)
44% identity, 93% coverage: 19:309/314 of query aligns to 15:308/318 of 5j23A

query
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5j23A

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active site: L94 (= L97), R228 (= R229), D252 (= D253), E257 (= E258), H275 (= H276)
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 (= V73), L148 (≠ M149), G149 (= G150), R150 (= R151), I151 (= I152), T170 (≠ D171), R171 (= R172), P200 (= P201), S204 (≠ E205), T205 (≠ N206), R228 (= R229)

5v6qB Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase smc04462 (smghrb) from sinorhizobium meliloti in complex with NADP and malonate (see paper)
44% identity, 93% coverage: 19:309/314 of query aligns to 17:310/319 of 5v6qB

query
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5v6qB

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N

V

L

S

K

G

A

W

W

A

F

K

S

N

T

K

G

T

E

L

A

V

L

T

T

P

P

V

V

active site: L96 (= L97), R230 (= R229), D254 (= D253), E259 (= E258), H277 (= H276)
binding nadp nicotinamide-adenine-dinucleotide phosphate: V72 (= V73), V100 (= V101), F148 (≠ V147), L150 (≠ M149), G151 (= G150), R152 (= R151), I153 (= I152), T172 (≠ D171), R173 (= R172), V201 (≠ T200), P202 (= P201), S206 (≠ E205), T207 (≠ N206), V228 (≠ I227), G229 (≠ S228), R230 (= R229), H277 (= H276), A279 (= A278)

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)
44% identity, 93% coverage: 19:309/314 of query aligns to 16:309/319 of 5v7nA

query
sites
5v7nA

L

L

N

E

S

R

L

L

Y

P

E

E

V

M

Y

F

E

E

Y

T

E

V

A

R

L

I

T

E

R

R

E

A

E

D

L

A

A

A

V

L

L

V

A

T

-

A

-

D

-

M

E

R

Q

D

F

V

T

S

I

G

M

I

I

A

T

V

N

S

G

G

E

K

A

L

T

P

V

V

T

-

R

-

Q

P

L

L

I

M

S

D

S

A

L

F

P

P

S

S

L

L

E

E

L

I

I

V

A

A

V

N

F

F

G
|
G

V
|
V

G
|
G

Y

Y

D

D

G

G

V

V

D

D

V

V

R

S

A

R

A

A

D

A

H

R

R

G

V

I

A

V

V

V

S

T

H

N

T

T

P

P

G

D

V

V

L
|
L

T

T

D

E

V
|
V

A

A

D

D

L

T

A

A

M

I

G

G

L

L

M

L

L

L

A

N

T

T

S

L

R

R

Q

L

I

L

V

P

S

Q

A

A

Q

E

K

Q

F

W

I

L

E

R

A

Q

G

G

G

R

W

W

-

V

R

R

Q

E

G

G

G

A

F

F

Q

P

W

L

T

S

R

P

-

L

K

S

V

L

S

R

G

G

S

R

R

T

V

V

G

G

I

L

V

F

G

G

M
x
L

G
|
G

R
|
R

I
|
I

G

G

Q

L

A

A

I

I

A

A

R

R

C

L

E

E

G

A

F

F

A

G

M

V

Q

S

I

I

A

A

Y

Y

S

H

D
x
T

R
|
R

K

T

A

P

I

R

P

E

G

G

L

L

D

G

Y

F

P

T

W

Y

I

H

E

P

D

T

I

L

S

V

T

G

L

M

A

A

S

E

Q

A

T

V

D

D

F

T

L

L

V

I

I

V

C

I

T
x
V

P
|
P

G

G

S

T

A

A

E
x
S

N
x
T

Q

L

A

K

L

A

I

V

D

N

E

A

R

D

V

V

L

L

S

S

A

A

L

L

G

G

A

P

S

K

G

G

I

V

L

L

I

I

N

N

I
x
V

S
x
G

R
|
R

G

G

S

S

V

T

V

V

D

D

E

E

F

A

A

A

L

L

I

V

K

T

A

A

L

L

E

Q

Q

N

G

G

I

T

I

I

A

A

G

G

A

A

G

G

L

L

D
|
D

V

V

F

F

S

E

Q

N

E
|
E

P

P

E

N

V

V

P

P

Q

E

A

A

L

L

R

S

R

F

A

P

N

N

V

V

V

S

V

L

T

L

P

P

H
|
H

M

V

A
|
A

S
|
S

A

A

T

S

W

V

S

V

T

T

R
|
R

E

N

A

A

M

M

S

S

R

D

L

L

V

V

L

V

E

D

N

N

V

L

S

K

G

A

W

W

A

F

K

S

N

T

K

G

T

E

L

A

V

L

T

T

P

P

V

V

active site: L95 (= L97), R229 (= R229), D253 (= D253), E258 (= E258), H276 (= H276)
binding 2-keto-D-gluconic acid: G70 (= G72), V71 (= V73), G72 (= G74), R229 (= R229), H276 (= H276), S279 (= S279), R285 (= R285)
binding nadp nicotinamide-adenine-dinucleotide phosphate: V71 (= V73), V99 (= V101), L149 (≠ M149), G150 (= G150), R151 (= R151), I152 (= I152), T171 (≠ D171), R172 (= R172), V200 (≠ T200), P201 (= P201), S205 (≠ E205), T206 (≠ N206), V227 (≠ I227), G228 (≠ S228), R229 (= R229), H276 (= H276), A278 (= A278)

5v7gA Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase smc04462 (smghrb) from sinorhizobium meliloti in complex with NADPH and oxalate (see paper)
44% identity, 93% coverage: 19:309/314 of query aligns to 15:308/317 of 5v7gA

query
sites
5v7gA

L

L

N

E

S

R

L

L

Y

P

E

E

V

M

Y

F

E

E

Y

T

E

V

A

R

L

I

T

E

R

R

E

A

E

D

L

A

A

A

V

L

L

V

A

T

-

A

-

D

-

M

E

R

Q

D

F

V

T

S

I

G

M

I

I

A

T

V

N

S

G

G

E

K

A

L

T

P

V

V

T

-

R

-

Q

P

L

L

I

M

S

D

S

A

L

F

P

P

S

S

L

L

E

E

L

I

I

V

A

A

V

N

F

F

G
|
G

V
|
V

G
|
G

Y

Y

D

D

G

G

V

V

D

D

V

V

R

S

A

R

A

A

D

A

H

R

R

G

V

I

A

V

V

V

S

T

H

N

T

T

P

P

G

D

V

V

L
|
L

T

T

D

E

V
|
V

A

A

D

D

L

T

A

A

M

I

G

G

L

L

M

L

L

L

A

N

T

T

S

L

R

R

Q

L

I

L

V

P

S

Q

A

A

Q

E

K

Q

F

W

I

L

E

R

A

Q

G

G

G

R

W

W

-

V

R

R

Q

E

G

G

G

A

F

F

Q

P

W

L

T

S

R

P

-

L

K

S

V

L

S

R

G

G

S

R

R

T

V

V

G

G

I

L

V
x
F

G

G

M
x
L

G
|
G

R
|
R

I
|
I

G

G

Q

L

A

A

I

I

A

A

R

R

C

L

E

E

G

A

F

F

A

G

M

V

Q

S

I

I

A

A

Y

Y

S

H

D
x
T

R
|
R

K

T

A

P

I

R

P

E

G

G

L

L

D

G

Y

F

P

T

W

Y

I

H

E

P

D

T

I

L

S

V

T

G

L

M

A

A

S

E

Q

A

T

V

D

D

F

T

L

L

V

I

I

V

C

I

T
x
V

P
|
P

G

G

S

T

A

A

E
x
S

N
x
T

Q

L

A

K

L

A

I

V

D

N

E

A

R

D

V

V

L

L

S

S

A

A

L

L

G

G

A

P

S

K

G

G

I

V

L

L

I

I

N

N

I
x
V

S
x
G

R
|
R

G

G

S

S

V

T

V

V

D

D

E

E

F

A

A

A

L

L

I

V

K

T

A

A

L

L

E

Q

Q

N

G

G

I

T

I

I

A

A

G

G

A

A

G

G

L

L

D
|
D

V

V

F

F

S

E

Q

N

E
|
E

P

P

E

N

V

V

P

P

Q

E

A

A

L

L

R

S

R

F

A

P

N

N

V

V

V

S

V

L

T

L

P

P

H
|
H

M

V

A
|
A

S

S

A

A

T

S

W

V

S

V

T

T

R

R

E

N

A

A

M

M

S

S

R

D

L

L

V

V

L

V

E

D

N

N

V

L

S

K

G

A

W

W

A

F

K

S

N

T

K

G

T

E

L

A

V

L

T

T

P

P

V

V

active site: L94 (= L97), R228 (= R229), D252 (= D253), E257 (= E258), H275 (= H276)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: V70 (= V73), V98 (= V101), F146 (≠ V147), L148 (≠ M149), G149 (= G150), R150 (= R151), I151 (= I152), T170 (≠ D171), R171 (= R172), V199 (≠ T200), P200 (= P201), S204 (≠ E205), T205 (≠ N206), V226 (≠ I227), G227 (≠ S228), R228 (= R229), H275 (= H276), A277 (= A278)
binding oxalate ion: G69 (= G72), V70 (= V73), G71 (= G74), R228 (= R229), H275 (= H276)

5aovA Ternary crystal structure of pyrococcus furiosus glyoxylate hydroxypyruvate reductase in presence of glyoxylate (see paper)
39% identity, 86% coverage: 31:301/314 of query aligns to 34:313/334 of 5aovA

query
sites
5aovA

L

I

T

P

R

R

E

E

E

K

L

L

A

L

V

E

L

K

A

V

E

K

Q

D

F

V

T

D

I

A

M

L

I

V

T

T

N
x
M

G
x
L

E

S

A

E

T

R

V

I

T

D

R

Q

Q

E

L

V

I

F

S

E

S

N

L

A

P

P

S

R

L

L

E

R

L

I

I

V

A

A

V

N

F
x
Y

G
x
A

V
|
V

G
|
G

Y

Y

D

D

G

N

V

I

D

D

V

V

R

E

A

E

A

A

A

T

D

R

H

R

R

G

V

I

A

Y

V

V

S

T

H

N

T

T

P

P

G

D

V

V

L
|
L

T

T

D

N

D

A

V
x
T

A

A

D

D

L

H

A

A

M

F

G

A

L

L

M

L

L

L

A

A

T

T

S

A

R

R

Q

H

I

V

V

V

S

K

A

G

Q

D

K

K

F

F

I

V

E

R

A

S

G

G

G

E

W

W

R

K

Q

R

G

K

G

G

F

I

Q

A

W

W

T

H

R

P

K

K

-

W

-

F

-

L

-

G

-

Y

-

E

V

L

S

Y

G

G

S

K

R

T

V

I

G

G

I

I

V

V

G

G

M
x
F

G
|
G

R
|
R

I
|
I

G

G

Q

Q

A

A

I

I

A

A

R

R

C

A

E

K

G

G

F

F

A

N

M

M

Q

R

I

I

A

L

Y

Y

S

Y

D
x
S

R
|
R

K

T

A

R

I

K

P

S

-

Q

-

A

-

E

-

K

-

E

-

L

G

G

L

A

D

E

Y

Y

P

R

W

P

I

L

E

E

D

E

I

V

S

-

T

-

L

-

A

L

S

K

Q

E

T

S

D

D

F

F

L

V

V

I

I

L

C
x
A

T
x
V

P
|
P

G

L

S

T

A

K

E

E

N
x
T

Q

M

A

Y

L

M

I

I

D

N

E

E

R

E

V

R

L

L

S

K

A

L

L

M

G

K

A

P

S

T

G

A

I

I

L

L

I

V

N

N

I
|
I

S
x
A

R
|
R

G

G

S

K

V

V

D

D

E

T

F

K

A

A

L

L

I

I

K

K

A

A

L

L

E

K

Q

E

G

G

I

W

I

I

A

A

G

G

A

A

G

G

L

L

D
|
D

V

V

F

F

S

E

Q

E

E
|
E

P

P

E

Y

V

Y

P

N

Q

E

A

E

L

L

L

F

R

S

R

L

A

D

N

N

V

V

V

L

T

T

P

P

H
|
H

M

I

A
x
G

S

S

A

A

T

T

W

F

S

E

T

A

R

R

E

E

A

A

M

M

S

A

R

E

L

L

V

V

L

A

E

R

N

N

V

L

S

I

G

A

W

F

A

K

K

R

active site: L100 (= L97), R241 (= R229), D265 (= D253), E270 (= E258), H288 (= H276)
binding glyoxylic acid: M52 (≠ N49), L53 (≠ G50), L53 (≠ G50), Y74 (≠ F71), A75 (≠ G72), V76 (= V73), G77 (= G74), R241 (= R229), H288 (= H276)
binding nadp nicotinamide-adenine-dinucleotide phosphate: V76 (= V73), T104 (≠ V101), F158 (≠ M149), G159 (= G150), R160 (= R151), I161 (= I152), S180 (≠ D171), R181 (= R172), A211 (≠ C199), V212 (≠ T200), P213 (= P201), T218 (≠ N206), I239 (= I227), A240 (≠ S228), R241 (= R229), H288 (= H276), G290 (≠ A278)

6biiA Crystal structure of pyrococcus yayanosii glyoxylate hydroxypyruvate reductase in complex with NADP and malonate (re-refinement of 5aow) (see paper)
39% identity, 85% coverage: 31:296/314 of query aligns to 33:307/332 of 6biiA

query
sites
6biiA

L

I

T

P

R

R

E

E

E

V

L

L

A

L

V

E

L

K

A

V

E

K

Q

D

F

V

T

D

I

A

M

L

I

V

T

T

N

M

G

L

E

S

A

E

T

K

V

I

T

D

R

R

Q

E

L

V

I

F

S

D

S

A

L

A

P

P

S

R

L

L

E

R

L

I

I

V

A

A

V

N

F

Y

G

A

V
|
V

G

G

Y

Y

D

D

G

N

V

I

D

D

V

I

R

E

A

E

A

A

A

T

D

K

H

R

R

G

V

I

A

Y

V

V

S

T

H

N

T

T

P

P

G

D

V

V

L
|
L

T

T

D

D

D

A

V
x
T

A

A

D

D

L

L

A

A

M

W

G

A

L

L

M

L

L

L

A

A

T

A

S

A

R

R

Q

H

I

V

V

V

S

K

A

G

Q

D

K

K

F

F

I

V

E

R

A

S

G

G

G

E

W

W

R

K

Q

R

G

R

G

G

F

I

Q

A

W

W

T

H

R

P

K

K

-

M

-

F

-

L

-

G

-

Y

-

D

V

V

S

Y

G

G

S

K

R

T

V

I

G

G

I

I

V

V

G
|
G

M
x
F

G
|
G

R
|
R

I
|
I

G

G

Q

Q

A

A

I

I

A

A

R

K

R

R

C

A

E

K

G

G

F

F

A

G

M

M

Q

R

I

I

A

L

Y

Y

S

T

D
x
A

R
|
R

K
x
S

A

R

I
x
K

P

P

-

E

-

A

-

E

-

K

-

E

-

L

G

G

L

A

D

E

Y

F

P

K

W

P

I

L

E

E

D

E

I

-

S

-

T

-

L

L

A

L

S

R

Q

E

T

S

D

D

F

F

L

V

V

V

I

L

C

A

T
x
V

P
|
P

G

L

S

T

A

K

E
|
E

N
x
T

Q

Y

A

H

L

M

I

I

D

N

E

E

R

E

V

R

L

L

S

R

A

L

L

M

G

K

A

P

S

T

G

A

I

V

L

L

I

V

N

N

I
x
V

S
x
A

R
|
R

G

G

S

K

V

V

D

D

E

T

F

K

A

A

L

L

I

I

K

R

A

A

L

L

E

K

Q

E

G

G

I

W

I

I

A

A

G

A

A

A

G

G

L

L

D
|
D

V

V

F

F

S

E

Q

E

E
|
E

P

P

E

Y

V

Y

P

D

Q

E

A

E

L

L

L

F

R

A

R

L

A

D

N

N

V

V

V

L

T

T

P

P

H
|
H

M

I

A
x
G

S

S

A

A

T

T

W

F

S

G

T

A

R

R

E

E

A

G

M

M

S

A

R

E

L

L

V

V

L

A

E

K

N

N

V

L

active site: L99 (= L97), R240 (= R229), D264 (= D253), E269 (= E258), H287 (= H276)
binding nadp nicotinamide-adenine-dinucleotide phosphate: V75 (= V73), T103 (≠ V101), G156 (= G148), F157 (≠ M149), G158 (= G150), R159 (= R151), I160 (= I152), A179 (≠ D171), R180 (= R172), S181 (≠ K173), K183 (≠ I175), V211 (≠ T200), P212 (= P201), E216 (= E205), T217 (≠ N206), V238 (≠ I227), A239 (≠ S228), R240 (= R229), D264 (= D253), H287 (= H276), G289 (≠ A278)

O58320 Glyoxylate reductase; EC 1.1.1.26 from Pyrococcus horikoshii (strain ATCC 700860 / DSM 12428 / JCM 9974 / NBRC 100139 / OT-3)
37% identity, 96% coverage: 1:301/314 of query aligns to 1:313/334 of O58320

query
sites
O58320

M

M

K

K

L

P

K

K

I

V

L

F

K

I

Q

T

A

R

S

E

L

I

P

P

D

E

Q

V

L

G

T

I

A

K

E

M

L

L

N

E

S

D

L

E

Y

F

E

E

V

V

Y

E

-

V

-

W

-

G

E

D

Y

E

E

K

A

E

L

I

T

P

R

R

E

E

E

I

L

L

A

L

V

K

L

K

A

V

E

K

Q

E

F

V

T

D

I

A

M

L

I

V

T

T

N

M

G

L

E

S

A

E

T

R

V

I

T

D

R

K

Q

E

L

V

I

F

S

E

S

N

L

A

P

P

S

K

L

L

E

R

L

I

I

V

A

A

V

N

F

Y

G

A

V

V

G

G

Y

Y

D

D

G

N

V

I

D

D

V

I

R

E

A

E

A

A

A

T

D

K

H

R

R

G

V

I

A

Y

V

V

S

T

H

N

T

T

P

P

G

D

V

V

L

L

T

T

D

D

D

A

V

T

A

A

D

D

L

L

A

A

M

F

G

A

L

L

M

L

L

L

A

A

T

T

S

A

R

R

Q

H

I

V

V

V

S

K

A

G

Q

D

K

R

F

F

I

V

E

R

A

S

G

G

G

E

W

W

R

K

Q

K

G

R

G

G

F

V

Q

A

W

W

T

H

R

P

K

K

-

W

-

F

-

L

-

G

-

Y

-

D

V

V

S

Y

G

G

S

K

R

T

V

I

G

G

I

I

V

I

G

G

M
x
L

G
|
G

R
|
R

I
|
I

G

G

Q

Q

A

A

I

I

A

A

R

K

R

R

C

A

E

K

G

G

F

F

A

N

M

M

Q

R

I

I

A

L

Y

Y

S

Y

D
x
S

R
|
R

K
x
T

A

R

I

K

P

E

G

E

L

V

D

E

Y

R

P

E

W

L

-

N

-

A

-

E

I

F

E

K

D

P

I

L

S

E

T

D

L

L

A

L

S

R

Q

E

T

S

D

D

F

F

L

V

V

V

I

L

C

A

T

V

P

P

G

L

S

T

A

R

E

E

N

T

Q

Y

A

H

L

L

I

I

D

N

E

E

R

E

V

R

L

L

S

K

A

L

L

M

G

K

A

K

S

T

G

A

I

I

L

L

I

I

N

N

I
|
I

S
x
A

R
|
R

G

G

S

K

V

V

D

D

E

T

F

N

A

A

L

L

I

V

K

K

A

A

L

L

E

K

Q

E

G

G

I

W

I

I

A

A

G

G

A

A

G

G

L

L

D

D

V

V

F

F

S

E

Q

E

E

E

P

P

E

Y

V

Y

P

N

Q

E

A

E

L

L

L

F

R

K

R

L

A

D

N

N

V

V

V

L

T

T

P

P

H
|
H

M
x
I

A
x
G

S

S

A

A

T

S

W

F

S

G

T

A

R

R

E

E

A

G

M

M

S

A

R

E

L

L

V

V

L

A

E

K

N

N

V

L

S

I

G

A

W

F

A

K

K

R

LGRI 158:161 (≠ MGRI 149:152) binding
SRT 180:182 (≠ DRK 171:173) binding
IAR 239:241 (≠ ISR 227:229) binding
HIG 288:290 (≠ HMA 276:278) binding

2dbqA Crystal structure of glyoxylate reductase (ph0597) from pyrococcus horikoshii ot3, complexed with NADP (i41) (see paper)
37% identity, 96% coverage: 1:301/314 of query aligns to 1:313/333 of 2dbqA

query
sites
2dbqA

M

M

K

K

L

P

K

K

I

V

L

F

K

I

Q

T

A

R

S

E

L

I

P

P

D

E

Q

V

L

G

T

I

A

K

E

M

L

L

N

E

S

D

L

E

Y

F

E

E

V

V

Y

E

-

V

-

W

-

G

E

D

Y

E

E

K

A

E

L

I

T

P

R

R

E

E

E

I

L

L

A

L

V

K

L

K

A

V

E

K

Q

E

F

V

T

D

I

A

M

L

I

V

T

T

N

M

G

L

E

S

A

E

T

R

V

I

T

D

R

K

Q

E

L

V

I

F

S

E

S

N

L

A

P

P

S

K

L

L

E

R

L

I

I

V

A

A

V

N

F

Y

G

A

V
|
V

G

G

Y

Y

D

D

G

N

V

I

D

D

V

I

R

E

A

E

A

A

A

T

D

K

H

R

R

G

V

I

A

Y

V

V

S

T

H

N

T

T

P

P

G

D

V

V

L
|
L

T

T

D

D

D

A

V
x
T

A

A

D

D

L

L

A

A

M

F

G

A

L

L

M

L

L

L

A

A

T

T

S

A

R

R

Q

H

I

V

V

V

S

K

A

G

Q

D

K

R

F

F

I

V

E

R

A

S

G

G

G

E

W

W

R

K

Q

K

G

R

G

G

F

V

Q

A

W

W

T

H

R

P

K

K

-

W

-

F

-

L

-

G

-

Y

-

D

V

V

S

Y

G

G

S

K

R

T

V

I

G

G

I

I

V

I

G

G

M
x
L

G
|
G

R
|
R

I
|
I

G

G

Q

Q

A

A

I

I

A

A

R

K

R

R

C

A

E

K

G

G

F

F

A

N

M

M

Q

R

I

I

A

L

Y

Y

S

Y

D
x
S

R
|
R

K
x
T

A

R

I

K

P

E

G

E

L

V

D

E

Y

R

P

E

W

L

-

N

-

A

-

E

I

F

E

K

D

P

I

L

S

E

T

D

L

L

A

L

S

R

Q

E

T

S

D

D

F

F

L

V

V

V

I

L

C
x
A

T
x
V

P
|
P

G

L

S

T

A

R

E

E

N
x
T

Q

Y

A

H

L

L

I

I

D

N

E

E

R

E

V

R

L

L

S

K

A

L

L

M

G

K

A

K

S

T

G

A

I

I

L

L

I

I

N

N

I
|
I

S
x
A

R
|
R

G

G

S

K

V

V

D

D

E

T

F

N

A

A

L

L

I

V

K

K

A

A

L

L

E

K

Q

E

G

G

I

W

I

I

A

A

G

G

A

A

G

G

L

L

D
|
D

V

V

F

F

S

E

Q

E

E
|
E

P

P

E

Y

V

Y

P

N

Q

E

A

E

L

L

L

F

R

K

R

L

A

D

N

N

V

V

V

L

T

T

P

P

H
|
H

M

I

A
x
G

S

S

A

A

T

S

W

F

S

G

T

A

R

R

E

E

A

G

M

M

S

A

R

E

L

L

V

V

L

A

E

K

N

N

V

L

S

I

G

A

W

F

A

K

K

R

active site: L100 (= L97), R241 (= R229), D265 (= D253), E270 (= E258), H288 (= H276)
binding nadp nicotinamide-adenine-dinucleotide phosphate: V76 (= V73), T104 (≠ V101), L158 (≠ M149), G159 (= G150), R160 (= R151), I161 (= I152), S180 (≠ D171), R181 (= R172), T182 (≠ K173), A211 (≠ C199), V212 (≠ T200), P213 (= P201), T218 (≠ N206), I239 (= I227), A240 (≠ S228), R241 (= R229), D265 (= D253), H288 (= H276), G290 (≠ A278)

Q9UBQ7 Glyoxylate reductase/hydroxypyruvate reductase; EC 1.1.1.79; EC 1.1.1.81 from Homo sapiens (Human) (see paper)
38% identity, 74% coverage: 64:296/314 of query aligns to 74:313/328 of Q9UBQ7

query
sites
Q9UBQ7

S

N

L

L

E

K

L

V

I

I

A

S

V

T

F

M

G

S

V
|
V

G
|
G

Y

I

D

D

G

H

V

L

D

A

V

L

R

D

A

E

A

I

A

K

D

K

H

R

R

G

V

I

A

R

V

V

S

G

H

Y

T

T

P

P

G

D

V

V

L

L

T

T

D

D

D

T

V

T

A

A

D

E

L

L

A

A

M

V

G

S

L

L

M

L

L

L

A

T

T

T

S

C

R

R

Q

R

I

L

V

P

S

E

A

A

Q

I

K

E

F

E

I

V

E

K

A

N

G

G

W

W

R

T

Q

S

G

W

G

K

F

P

Q

L

W

W

T

L

-

C

-

G

R

Y

K

G

V

L

S

T

G

Q

S

S

R

T

V

V

G

G

I

I

V

I

G

G

M

L

G
|
G

R
|
R

I
|
I

G

G

Q

Q

A

A

I

I

A

A

R

R

C

L

E

K

G

P

F

F

A

G

M

V

Q

Q

-

R

I

F

A

L

Y

Y

S

T

D

G

R
|
R

K
x
Q

A
x
P

I
x
R

P

P

G

E

L

E

D

A

Y

A

P

E

W

F

-

Q

I

A

E

E

D

F

I

V

S

S

T

T

-

P

-

E

L

L

A

A

S

A

Q

Q

T

S

D

D

F

F

L

I

V

V

I

V

C

A

T

C

P
x
S

G

L

S

T

A

P

E

A

N

T

Q

E

A

G

L

L

I

C

D

N

E

K

R

D

V

F

L

F

S

Q

A

K

L

M

G

K

A

E

S

T

G

A

I

V

L

F

I

I

N

N

I
|
I

S

S

R
|
R

G

G

S

D

V

V

D

N

E

Q

F

D

A

D

L

L

I

Y

K

Q

A

A

L

L

E

A

Q

S

G

G

I

K

I

I

A

A

G

A

A

A

G

G

L

L

D
|
D

V

V

F

T

S

S

Q

P

E

E

P

P

-

L

E

P

V

T

P

N

Q

H

A

P

L

L

R

T

R

L

A

K

N

N

V

C

V

V

V

I

T

L

P

P

H
|
H

M
x
I

A
x
G

S
|
S

A

A

T

T

W

H

S

R

T

T

R

R

E

N

A

T

M

M

S

S

R

L

L

L

V

A

L

A

E

N

N

N

V

L

VG 83:84 (= VG 73:74) binding
GRI 162:164 (= GRI 150:152) binding
RQPR 185:188 (≠ RKAI 172:175) binding
S217 (≠ P201) binding
I243 (= I227) binding
R245 (= R229) binding
D269 (= D253) binding
HIGS 293:296 (≠ HMAS 276:279) binding
G295 (≠ A278) binding

2gcgA Ternary crystal structure of human glyoxylate reductase/hydroxypyruvate reductase (see paper)
38% identity, 74% coverage: 64:296/314 of query aligns to 70:309/324 of 2gcgA

query
sites
2gcgA

S

N

L

L

E

K

L

V

I

I

A

S

V

T

F

M

G
x
S

V
|
V

G
|
G

Y

I

D

D

G

H

V

L

D

A

V

L

R

D

A

E

A

I

A

K

D

K

H

R

R

G

V

I

A

R

V

V

S

G

H

Y

T

T

P

P

G

D

V

V

L
|
L

T

T

D

D

D

T

V
x
T

A

A

D

E

L

L

A

A

M

V

G

S

L

L

M

L

L

L

A

T

T

T

S

C

R

R

Q

R

I

L

V

P

S

E

A

A

Q

I

K

E

F

E

I

V

E

K

A

N

G

G

W

W

R

T

Q

S

G

W

G

K

F

P

Q

L

W

W

T

L

-

C

-

G

R

Y

K

G

V

L

S

T

G

Q

S

S

R

T

V

V

G

G

I

I

V

I

G
|
G

M

L

G
|
G

R

R

I
|
I

G

G

Q

Q

A

A

I

I

A

A

R

R

C

L

E

K

G

P

F

F

A

G

M

V

Q

Q

-

R

I

F

A

L

Y

Y

S

T

D
x
G

R
|
R

K

Q

A

P

I
x
R

P

P

G

E

L

E

D

A

Y

A

P

E

W

F

-

Q

I

A

E

E

D

F

I

V

S

S

T

T

-

P

-

E

L

L

A

A

S

A

Q

Q

T

S

D

D

F

F

L

I

V

V

I

V

C

A

T
x
C

P
x
S

G

L

S

T

A

P

E

A

N
x
T

Q

E

A

G

L

L

I

C

D

N

E

K

R

D

V

F

L

F

S

Q

A

K

L

M

G

K

A

E

S

T

G

A

I

V

L

F

I

I

N

N

I
|
I

S

S

R
|
R

G

G

S

D

V

V

D

N

E

Q

F

D

A

D

L

L

I

Y

K

Q

A

A

L

L

E

A

Q

S

G

G

I

K

I

I

A

A

G

A

A

A

G

G

L

L

D
|
D

V

V

F

T

S

S

Q

P

E
|
E

P

P

-

L

E

P

V

T

P

N

Q

H

A

P

L

L

R

T

R

L

A

K

N

N

V

C

V

V

V

I

T

L

P

P

H
|
H

M

I

A
x
G

S

S

A

A

T

T

W

H

S

R

T

T

R

R

E

N

A

T

M

M

S

S

R

L

L

L

V

A

L

A

E

N

N

N

V

L

active site: L103 (= L97), R241 (= R229), D265 (= D253), E270 (= E258), H289 (= H276)
binding (2r)-2,3-dihydroxypropanoic acid: S78 (≠ G72), V79 (= V73), G80 (= G74), R241 (= R229), H289 (= H276)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: V79 (= V73), T107 (≠ V101), G156 (= G148), G158 (= G150), I160 (= I152), G180 (≠ D171), R181 (= R172), R184 (≠ I175), C212 (≠ T200), S213 (≠ P201), T218 (≠ N206), I239 (= I227), R241 (= R229), D265 (= D253), H289 (= H276), G291 (≠ A278)

Sites not aligning to the query:

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

6plfA Crystal structure of human phgdh complexed with compound 1 (see paper)
32% identity, 85% coverage: 24:291/314 of query aligns to 25:291/305 of 6plfA

query
sites
6plfA

E

Q

V

V

Y

V

E

E

Y

K

E

Q

A

N

L

L

T

S

R

K

E

E

L

L

A

I

V

A

L

E

A

L

E

Q

Q

D

F

C

T

E

I

G

M

L

I

I

T

V

N

R

G

S

E

A

A

T

T

K

V

V

T

T

R

A

Q

D

L

V

I

I

S

N

S

A

L

A

P

E

S

K

L

L

E

Q

L

V

I

V

A

G

V

R

F

A

G

G

V

T

G

G

Y

V

D

D

G

N

V

V

D

D

V

L

R

E

A

A

A

T

D

R

H

K

R

G

V

I

A

L

V

V

S

M

H

N

T

T

P

P

G

N

V

G

L

N

T

S

D

L

D

S

V

A

A

A

D

E

L

L

A

T

M

C

G

G

L

M

M

I

L

M

A

C

T

L

S

A

R

R

Q

Q

I

I

V

P

S

Q

A

A

Q

T

K

A

F

S

I

M

E

K

A

D

G

G

G

K

W

W

R

E

Q

R

G

K

F

F

Q

M

W

G

T

T

R

-

K

E

V

L

S

N

G

G

S

K

R

T

V

L

G

G

I

I

V

L

G

G

M

L

G

G

R

R

I

I

G

G

Q

R

A

E

I

V

A

A

R

T

R

R

C

M

E

Q

G

S

F

F

A

G

M

M

Q

K

I

T

A

I

Y

G

S
x
Y

D
|
D

R
x
P

K

I

A

I

I

S

P

P

-

E

-

V

-

S

-

A

-

S

-

F

G

G

L

V

D

Q

Y

Q

P

L

W

P

I
x
L

E

E

D

E

I

I

S

W

T

P

L

L

A

C

S

-

Q

-

T

-

D

D

F

F

L

I

V

T

I

V

C
x
H

T
|
T

P
|
P

G

L

S

L

A

P

E

S

N

T

Q

T

A

G

L
|
L

I

L

D

N

E

D

R

N

V

T

L

F

S

A

A

Q

L

C

G

K

A

K

S

G

G

V

I

R

L

V

I

V

N

N

I

C

S

A

R

R

G

G

S

G

V

I

V

V

D

D

E

E

F

G

A

A

L

L

I

L

K

R

A

A

L

L

E

Q

Q

S

G

G

I

Q

I

C

A

A

G

G

A

A

G

A

L

L

D

D

V

V

F

F

S

T

Q

E

E

E

P

P

E

P

V

R

P

D

Q

R

A

A

L

L

L

V

R

D

R

H

A

E

N

N

V

V

V

I

V

S

T

C

P

P

H

H

M

L

A

G

S

A

A

-

T

-

W

-

S

S

T

T

R

K

E

E

A

A

M

Q

S

S

R

R

L

C

binding 4-{(1S)-1-[(5-chloro-6-{[(5S)-2-oxo-1,3-oxazolidin-5-yl]methoxy}-1H-indole-2-carbonyl)amino]-2-hydroxyethyl}benzoic acid: Y170 (≠ S170), D171 (= D171), P172 (≠ R172), L189 (≠ I183), H202 (≠ C199), T203 (= T200), P204 (= P201), L212 (= L209)

7dkmA Phgdh covalently linked to oridonin (see paper)
32% identity, 85% coverage: 24:290/314 of query aligns to 25:290/306 of 7dkmA

query
sites
7dkmA

E

Q

V

V

Y

V

E

E

Y

K

E

Q

A

N

L

L

T

S

R

K

E

E

L

L

A

I

V

A

L

E

A

L

E

Q

Q

D

F

C

T

E

I

G

M

L

I

I

T

V

N

R

G

S

E

A

A

T

T

K

V

V

T

T

R

A

Q

D

L

V

I

I

S

N

S

A

L

A

P

E

S

K

L

L

E

Q

L

V

I

V

A

G

V

R

F

A

G

G

V
x
T

G

G

Y

V

D

D

G

N

V

V

D

D

V

L

R

E

A

A

A

T

D

R

H

K

R

G

V

I

A

L

V

V

S

M

H

N

T

T

P

P

G

N

V

G

L

N

T

S

D

L

D

S

V
x
A

A

A

D

E

L

L

A

T

M

C

G

G

L

M

M

I

L

M

A

C

T

L

S

A

R

R

Q

Q

I

I

V

P

S

Q

A

A

Q

T

K

A

F

S

I

M

E

K

A

D

G

G

G

K

W

W

R

E

Q

R

G

K

F

F

Q

M

W

G

T

T

R

-

K

E

V

L

S

N

G

G

S

K

R

T

V

L

G

G

I

I

V

L

G
|
G

M

L

G

G

R
|
R

I
|
I

G

G

Q

R

A

E

I

V

A

A

R

T

R

R

C

M

E

Q

G

S

F

F

A

G

M

M

Q

K

I

T

A

I

Y

G

S
x
Y

D
|
D

R
x
P

K
x
I

A

I

I

S

P

P

-

E

-

V

-

S

-

A

-

S

-

F

G

G

L

V

D

Q

Y

Q

P

L

W

P

I

L

E

E

D

E

I

I

S

W

T

P

L

L

A

C

S

-

Q

-

T

-

D

D

F

F

L

I

V

T

I

V

C
x
H

T
|
T

P
|
P

G

L

S

L

A

P

E

S

N
x
T

Q

T

A

G

L

L

I

L

D

N

E

D

R

N

V

T

L

F

S

A

A

Q

L

C

G

K

A

K

S

G

G

V

I

R

L

V

I

V

N

N

I
x
C

S
x
A

R
|
R

G

G

S

G

V

I

V

V

D

D

E

E

F

G

A

A

L

L

I

L

K

R

A

A

L

L

E

Q

Q

S

G

G

I

Q

I

C

A

A

G

G

A

A

G

A

L

L

D

D

V

V

F

F

S

T

Q

E

E

E

P

P

E

P

V

R

P

D

Q

R

A

A

L

L

L

V

R

D

R

H

A

E

N

N

V

V

V

I

V

S

T

C

P

P

H
|
H

M

L

A
x
G

S

A

A

-

T

-

W

-

S

S

T

T

R

K

E

E

A

A

M

Q

S

S

R

R

binding nicotinamide-adenine-dinucleotide: T74 (≠ V73), A102 (≠ V101), G148 (= G148), R151 (= R151), I152 (= I152), Y170 (≠ S170), D171 (= D171), P172 (≠ R172), I173 (≠ K173), H202 (≠ C199), T203 (= T200), P204 (= P201), T209 (≠ N206), C230 (≠ I227), A231 (≠ S228), R232 (= R229), H279 (= H276), G281 (≠ A278)

Sites not aligning to the query:

binding (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one: 14, 17, 18, 293

6plgA Crystal structure of human phgdh complexed with compound 15 (see paper)
32% identity, 85% coverage: 24:290/314 of query aligns to 24:289/303 of 6plgA

query
sites
6plgA

E

Q

V

V

Y

V

E

E

Y

K

E

Q

A

N

L

L

T

S

R

K

E

E

L

L

A

I

V

A

L

E

A

L

E

Q

Q

D

F

C

T

E

I

G

M

L

I

I

T

V

N

R

G

S

E

A

A

T

T

K

V

V

T

T

R

A

Q

D

L

V

I

I

S

N

S

A

L

A

P

E

S

K

L

L

E

Q

L

V

I

V

A

G

V

R

F

A

G

G

V

T

G

G

Y

V

D

D

G

N

V

V

D

D

V

L

R

E

A

A

A

T

D

R

H

K

R

G

V

I

A

L

V

V

S

M

H

N

T

T

P

P

G

N

V

G

L

N

T

S

D

L

D

S

V

A

A

A

D

E

L

L

A

T

M

C

G

G

L

M

M

I

L

M

A

C

T

L

S

A

R

R

Q

Q

I

I

V

P

S

Q

A

A

Q

T

K

A

F

S

I

M

E

K

A

D

G

G

G

K

W

W

R

E

Q

R

G

K

F

F

Q

M

W

G

T

T

R

-

K

E

V

L

S

N

G

G

S

K

R

T

V

L

G

G

I

I

V

L

G

G

M

L

G
|
G

R
|
R

I

I

G

G

Q

R

A

E

I

V

A

A

R

T

R

R

C

M

E

Q

G

S

F

F

A

G

M

M

Q

K

I

T

A

I

Y

G

S

Y

D
|
D

R
x
P

K
x
I

A
x
I

I

S

P

P

-

E

-

V

-

S

-

A

-

S

-

F

G

G

L

V

D

Q

Y

Q

P

L

W

P

I

L

E

E

D

E

I

I

S

W

T

P

L

L

A

C

S

-

Q

-

T

-

D

D

F

F

L

I

V

T

I

V

C
x
H

T
|
T

P

P

G

L

S
x
L

A

P

E

S

N

T

Q

T

A

G

L

L

I

L

D

N

E

D

R

N

V

T

L

F

S

A

A

Q

L

C

G

K

A

K

S

G

G

V

I

R

L

V

I

V

N

N

I

C

S

A

R

R

G

G

S

G

V

I

V

V

D

D

E

E

F

G

A

A

L

L

I

L

K

R

A

A

L

L

E

Q

Q

S

G

G

I

Q

I

C

A

A

G

G

A

A

G

A

L

L

D

D

V

V

F

F

S

T

Q

E

E

E

P

P

E

P

V

R

P

D

Q

R

A

A

L

L

L

V

R

D

R

H

A

E

N

N

V

V

V

I

V

S

T

C

P

P

H

H

M

L

A

G

S

A

A

-

T

-

W

-

S

S

T

T

R

K

E

E

A

A

M

Q

S

S

R

R

binding (2S)-(4-{3-[(4,5-dichloro-1-methyl-1H-indole-2-carbonyl)amino]oxetan-3-yl}phenyl)(pyridin-3-yl)acetic acid: G149 (= G150), R150 (= R151), D170 (= D171), P171 (≠ R172), I172 (≠ K173), I173 (≠ A174), H201 (≠ C199), T202 (= T200), L205 (≠ S203)

7ewhA Crystal structure of human phgdh in complex with homoharringtonine (see paper)
32% identity, 85% coverage: 24:290/314 of query aligns to 24:289/302 of 7ewhA

query
sites
7ewhA

E

Q

V

V

Y

V

E

E

Y

K

E

Q

A

N

L

L

T

S

R

K

E

E

L

L

A

I

V

A

L

E

A

L

E

Q

Q

D

F

C

T

E

I

G

M

L

I

I

T

V

N

R

G

S

E

A

A

T

T

K

V

V

T

T

R

A

Q

D

L

V

I

I

S

N

S

A

L

A

P

E

S

K

L

L

E

Q

L

V

I

V

A

G

V

R

F

A

G

G

V

T

G

G

Y

V

D

D

G

N

V

V

D

D

V

L

R

E

A

A

A

T

D

R

H

K

R

G

V

I

A

L

V

V

S

M

H

N

T

T

P

P

G

N

V

G

L

N

T

S

D

L

D

S

V

A

A

A

D

E

L

L

A

T

M

C

G

G

L

M

M

I

L

M

A

C

T

L

S

A

R

R

Q

Q

I

I

V

P

S

Q

A

A

Q

T

K

A

F

S

I

M

E

K

A

D

G

G

G

K

W

W

R

E

Q

R

G

K

F

F

Q

M

W

G

T

T

R

-

K

E

V

L

S

N

G

G

S

K

R

T

V

L

G

G

I

I

V
x
L

G
|
G

M
x
L

G
|
G

R
|
R

I
|
I

G
|
G

Q

R

A

E

I

V

A

A

R

T

R

R

C

M

E

Q

G

S

F

F

A

G

M

M

Q

K

I

T

A

I

Y

G

S

Y

D
|
D

R

P

K

I

A

I

I

S

P

P

-

E

-

V

-

S

-

A

-

S

-

F

G

G

L

V

D

Q

Y

Q

P

L

W

P

I

L

E

E

D

E

I

I

S

W

T

P

L

L

A

C

S

-

Q

-

T

-

D

D

F

F

L

I

V

T

I

V

C
x
H

T
|
T

P
|
P

G

L

S

L

A

P

E

S

N

T

Q

T

A

G

L

L

I

L

D

N

E

D

R

N

V

T

L

F

S

A

A

Q

L

C

G

K

A

K

S

G

G

V

I

R

L

V

I

V

N

N

I

C

S

A

R

R

G

G

S

G

V

I

V

V

D

D

E

E

F

G

A

A

L

L

I

L

K

R

A

A

L

L

E

Q

Q

S

G

G

I

Q

I

C

A

A

G

G

A

A

G

A

L

L

D

D

V

V

F

F

S

T

Q

E

E

E

P

P

E

P

V

R

P

D

Q

R

A

A

L

L

L

V

R

D

R

H

A

E

N

N

V

V

V

I

V

S

T

C

P

P

H

H

M

L

A

G

S

A

A

-

T

-

W

-

S

S

T

T

R

K

E

E

A

A

M

Q

S

S

R

R

binding (3beta)-O~3~-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine: L146 (≠ V147), G147 (= G148), L148 (≠ M149), G149 (= G150), R150 (= R151), I151 (= I152), G152 (= G153), D170 (= D171), H201 (≠ C199), T202 (= T200), P203 (= P201)

6rihA Crystal structure of phgdh in complex with compound 9 (see paper)
32% identity, 85% coverage: 24:290/314 of query aligns to 24:289/302 of 6rihA

query
sites
6rihA

E

Q

V

V

Y

V

E

E

Y

K

E

Q

A

N

L

L

T

S

R

K

E

E

L

L

A

I

V

A

L

E

A

L

E

Q

Q

D

F

C

T

E

I

G

M

L

I

I

T

V

N

R

G

S

E

A

A

T

T

K

V

V

T

T

R

A

Q

D

L

V

I

I

S

N

S

A

L

A

P

E

S

K

L

L

E

Q

L

V

I

V

A

G

V

R

F

A

G

G

V

T

G

G

Y

V

D

D

G

N

V

V

D

D

V

L

R

E

A

A

A

T

D

R

H

K

R

G

V

I

A

L

V

V

S

M

H

N

T

T

P

P

G

N

V

G

L

N

T

S

D

L

D

S

V

A

A

A

D

E

L

L

A

T

M

C

G

G

L

M

M

I

L

M

A

C

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A

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R

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I

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A

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W

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F

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-

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E

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N

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x
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A

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A

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N

N

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A

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E

F

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A

A

L

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A

A

L

L

E

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Q

S

G

G

I

Q

I

C

A

A

G

G

A

A

G

A

L

L

D

D

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V

F

F

S

T

Q

E

E

E

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E

P

V

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D

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A

A

L

L

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A

E

N

N

V

V

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V

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C

P

P

H

H

M

L

A

G

S

A

A

-

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W

-

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T

T

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E

E

A

A

M

Q

S

S

R

R

binding ~{N}-cyclopropyl-2-methyl-5-phenyl-pyrazole-3-carboxamide: G149 (= G150), Y169 (≠ S170), D170 (= D171), P171 (≠ R172), I172 (≠ K173), I173 (≠ A174), T202 (= T200), P203 (= P201), L211 (= L209)

O43175 D-3-phosphoglycerate dehydrogenase; 3-PGDH; 2-oxoglutarate reductase; Malate dehydrogenase; EC 1.1.1.95; EC 1.1.1.399; EC 1.1.1.37 from Homo sapiens (Human) (see 3 papers)
32% identity, 85% coverage: 24:290/314 of query aligns to 29:294/533 of O43175

query
sites
O43175

E

Q

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V

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A

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G

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x
T

G

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D

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N

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D

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A

A

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A

A

A

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R

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A

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R

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N

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x
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T78 (≠ V73) binding
R135 (≠ Q130) to W: in PHGDHD; results in a 2-fold decrease in enzyme activity with 3-phosphohydroxypyruvate, but no change in substrate affinity; dbSNP:rs267606949
RI 155:156 (= RI 151:152) binding
D175 (= D171) binding
T207 (= T200) binding
CAR 234:236 (≠ ISR 227:229) binding
D260 (= D253) binding
V261 (= V254) to M: in PHGDHD; results in a four-fold decrease in substrate affinity and a slight increase in maximal enzyme activity with 3-phosphohydroxypyruvate; dbSNP:rs267606947
HLGA 283:286 (≠ HMAS 276:279) binding

Sites not aligning to the query:

1 modified: Initiator methionine, Removed
2 modified: N-acetylalanine
373 A → T: in PHGDHD; results in almost undetectable enzyme activity with 3-phosphohydroxypyruvate; dbSNP:rs201553627
377 G → S: in PHGDHD; results in a 2-fold decrease in enzyme activity with 3-phosphohydroxypyruvate, but no change in substrate affinity; dbSNP:rs267606948
425 V → M: in PHGDHD; results in almost undetectable enzyme activity with 3-phosphohydroxypyruvate; dbSNP:rs121907988
490 V → M: in PHGDHD; results in almost undetectable enzyme activity with 3-phosphohydroxypyruvate; dbSNP:rs121907987

6cwaA Crystal structure phgdh in complex with nadh and 3-phosphoglycerate at 1.77 a resolution (see paper)
32% identity, 85% coverage: 24:291/314 of query aligns to 23:289/299 of 6cwaA

query
sites
6cwaA

E

Q

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A

A

A

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I

A

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T

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P

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x
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x
A

A

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x
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x
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A

A

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L

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K

A

K

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G

G

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I

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N

N

I
x
C

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x
A

R
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R

G

G

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G

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I

V

V

D

D

E

E

F

G

A

A

L

L

I

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K

R

A

A

L

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Q

S

G

G

I

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I

C

A

A

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G

A

A

G

A

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L

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D

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F

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E

E

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P

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A

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L

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R

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A

E

N

N

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P

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L

A
x
G

S

A

A

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-

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S

T

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K

E

E

A

A

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S

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L

C

binding 1,4-dihydronicotinamide adenine dinucleotide: N96 (≠ L97), A100 (≠ V101), R149 (= R151), I150 (= I152), Y168 (≠ S170), D169 (= D171), P170 (≠ R172), I171 (≠ K173), H200 (≠ C199), T201 (= T200), P202 (= P201), T207 (≠ N206), C228 (≠ I227), A229 (≠ S228), R230 (= R229), H277 (= H276), G279 (≠ A278)

6rj5A Crystal structure of phgdh in complex with compound 39 (see paper)
32% identity, 85% coverage: 24:290/314 of query aligns to 24:289/301 of 6rj5A

query
sites
6rj5A

E

Q

V

V

Y

V

E

E

Y

K

E

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A

N

L

L

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K

E

E

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A

I

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A

L

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A

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Q

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E

I

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A

A

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A

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S

A

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A

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L

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I

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A

G

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F

A

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G

G

Y

V

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D

G

N

V

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D

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E

A

A

A

T

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K

R

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I

A

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M

H

N

T

T

P

P

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N

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G

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N

T

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D

L

D

S

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A

A

A

D

E

L

L

A

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C

G

G

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M

M

I

L

M

A

C

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A

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R

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S

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A

A

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A

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K

A

D

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G

G

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W

W

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E

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R

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K

F

F

Q

M

W

G

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T

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-

K

E

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N

G

G

S

K

R

T

V

L

G

G

I

I

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x
L

G

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M

L

G

G

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R

I

I

G

G

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R

A

E

I

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A

A

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F

A

G

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x
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D

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P

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x
I

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P

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F

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L

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E

D

E

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T

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A

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D

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x
H

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T

P
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P

G

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S

L

A

P

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S

N

T

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T

A

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L
|
L

I

L

D

N

E

D

R

N

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L

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A

A

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L

C

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K

A

K

S

G

G

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I

R

L

V

I

V

N

N

I

C

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A

R

R

G

G

S

G

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I

V

V

D

D

E

E

F

G

A

A

L

L

I

L

K

R

A

A

L

L

E

Q

Q

S

G

G

I

Q

I

C

A

A

G

G

A

A

G

A

L

L

D

D

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V

F

F

S

T

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E

E

E

P

P

E

P

V

R

P

D

Q

R

A

A

L

L

L

V

R

D

R

H

A

E

N

N

V

V

V

I

V

S

T

C

P

P

H

H

M

L

A

G

S

A

A

-

T

-

W

-

S

S

T

T

R

K

E

E

A

A

M

Q

S

S

R

R

binding 2-methyl-~{N}-[(1~{R})-1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-5-phenyl-pyrazole-3-carboxamide: L146 (≠ V147), Y169 (≠ S170), D170 (= D171), P171 (≠ R172), I173 (≠ A174), H201 (≠ C199), T202 (= T200), P203 (= P201), L211 (= L209)

Query Sequence

>BWI76_RS27925 BWI76_RS27925 D-isomer specific 2-hydroxyacid dehydrogenase
MKLKILKQASLPDQLTAELNSLYEVYEYEALTREELAVLAEQFTIMITNGEATVTRQLIS
SLPSLELIAVFGVGYDGVDVRAAADHRVAVSHTPGVLTDDVADLAMGLMLATSRQIVSAQ
KFIEAGGWRQGGFQWTRKVSGSRVGIVGMGRIGQAIARRCEGFAMQIAYSDRKAIPGLDY
PWIEDISTLASQTDFLVICTPGSAENQALIDERVLSALGASGILINISRGSVVDEFALIK
ALEQGIIAGAGLDVFSQEPEVPQALLRRANVVVTPHMASATWSTREAMSRLVLENVSGWA
KNKTLVTPVPALEP

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