SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing 352888 FitnessBrowser__Btheta:352888 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)

3oetH D-erythronate-4-phosphate dehydrogenase complexed with NAD
38% identity, 97% coverage: 1:337/348 of query aligns to 3:330/378 of 3oetH

query
sites
3oetH

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active site: N93 (= N92), R210 (= R209), D234 (= D233), E237 (= E236), E239 (= E238), G253 (= G252), H256 (= H255)
binding nicotinamide-adenine-dinucleotide: N93 (= N92), V97 (= V96), G125 (= G124), G127 (= G126), N128 (= N127), V129 (= V128), D148 (= D147), P149 (≠ L148), P150 (= P149), H176 (= H175), T177 (≠ V176), P178 (= P177), Y185 (= Y184), T187 (= T186), A208 (≠ T207), C209 (≠ S208), H256 (= H255), A258 (= A257)

5dt9A Crystal structure of a putative d-erythronate-4-phosphate dehydrogenase from vibrio cholerae
35% identity, 99% coverage: 1:346/348 of query aligns to 4:360/379 of 5dt9A

query
sites
5dt9A

M

M

K

K

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active site: N95 (= N92), R212 (= R209), D236 (= D233), E241 (= E238), H258 (= H255)
binding nicotinamide-adenine-dinucleotide: N95 (= N92), G129 (= G126), Q130 (≠ N127), V131 (= V128), D150 (= D147), K153 (≠ R150), H178 (= H175), T179 (≠ V176), P180 (= P177), W187 (≠ Y184), T189 (= T186), A210 (≠ T207), A211 (≠ S208), H258 (= H255), A260 (= A257), G261 (= G258)

2o4cA Crystal structure of d-erythronate-4-phosphate dehydrogenase complexed with NAD (see paper)
33% identity, 97% coverage: 1:338/348 of query aligns to 1:354/380 of 2o4cA

query
sites
2o4cA

M

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G

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L

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A

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E

active site: N91 (= N92), R208 (= R209), D232 (= D233), E237 (= E238), H254 (= H255)
binding nicotinamide-adenine-dinucleotide: N91 (= N92), V95 (= V96), G123 (= G124), G125 (= G126), Q126 (≠ N127), V127 (= V128), D146 (= D147), P147 (≠ L148), P148 (= P149), H174 (= H175), T175 (≠ V176), P176 (= P177), H183 (≠ Y184), T185 (= T186), A206 (≠ T207), S207 (= S208), H254 (= H255), A256 (= A257), G257 (= G258)
binding phosphate ion: T66 (= T67), R346 (= R330)

Q9I3W9 Erythronate-4-phosphate dehydrogenase; EC 1.1.1.290 from Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1) (see paper)
33% identity, 97% coverage: 1:338/348 of query aligns to 1:354/380 of Q9I3W9

query
sites
Q9I3W9

M

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L

R

T

T

I

Y

G

G

I

V

I

V

G

G

V

A

G

G

N
x
Q

V
|
V

G

G

S

G

K

R

V

L

A

V

K

E

V

V

A

L

Q

R

D

G

F

L

G

G

M

W

R

K

V

V

L

L

L

V

N

C

D
|
D

L

P

P

P

R

R

E

Q

E

A

K

R

E

E

G

P

N

D

I

G

T

E

F

F

T

V

S

S

L

L

E

E

K

R

I

L

A

L

E

A

E

E

C

A

D

D

I

V

I

I

T

S

F

L

H

H

V
x
T

P

P

L

L

Y

N

K

R

E

D

G

G

K

E

Y

H

K

P

T

T

Y

R

H

H

L

L

A

L

D

D

G

E

N

P

F

R

F

L

R

A

S

A

L

L

Q

R

R

P

K

G

P

T

V

W

V

L

I

V

N

N

T
x
A

S
|
S

R
|
R

G

G

E

A

V

V

I

V

E

D

T

N

N

Q

A

A

L

L

L

R

E

R

A

L

I

L

N

E

N

G

G

G

I

A

I

D

S

L

D

E

A

V

V

A

I

L

D
|
D

V

V

W

W

E

E

H

G

E

E

P

P

E

Q

I

A

N

D

R

P

E

E

L

L

L

A

E

A

K

R

V

C

L

L

I

I

G

A

T

T

P

P

H

H

I

I

A

A

G
|
G

Y

Y

S

S

A

L

D

E

G

G

K

K

A

L

N

R

A

G

T

T

R

A

M

Q

S

I

L

Y

D

Q

S

A

I

Y

C

C

R

A

F

W

F

R

H

G

L

I

S

A

A

E

T

R

Y

V

E

S

I

L

T

Q

P

D

P

V

A

L

P

P

S

E

S

T

P

W

L

L

I

A

E

G

A

L

K

Q

-

L

-

N

-

P

-

G

-

C

D

D

R

P

E

A

E

W

A

A

L

L

L

A

K

T

M

L

-

C

-

R

-

A

-

V

Y

Y

N

D

P

P

I

R

E

S

D

D

S

D

N

A

R

A

L

F

K

R

-

R

-

S

-

L

-

T

-

G

-

D

-

S

-

A

S

T

H

R

P

R

E

A

L

A

F

F

E

D

T

A

L

L

R

R

G

K

D

H

Y

Y

P

P

L

P

R

R

R

R

E

E

C65 (≠ A66) modified: Disulfide link with 90
C90 (= C91) modified: Disulfide link with 65
QV 126:127 (≠ NV 127:128) binding NAD(+)
D146 (= D147) binding NAD(+)
T175 (≠ V176) binding NAD(+)
ASR 206:208 (≠ TSR 207:209) binding NAD(+)
D232 (= D233) binding NAD(+)
G257 (= G258) binding NAD(+)

1wwkA Crystal structure of phosphoglycerate dehydrogenase from pyrococcus horikoshii ot3
37% identity, 71% coverage: 22:267/348 of query aligns to 23:290/304 of 1wwkA

query
sites
1wwkA

E

E

A

V

I

I

Y

Y

A

E

-

E

-

Y

P

P

G

D

K

E

D

D

F

R

T

L

R

V

E

E

L

L

V

V

Q

K

D

D

A

V

D

E

A

A

L

I

I

I

I

V

R

R

T

S

R

K

T

P

H

K

C

V

N

T

R

R

E

R

L

V

L

I

E

E

G

S

S

A

-

P

K

K

V

L

K

K

F

V

I

I

A

A

T

R

A

A

T

G

I

V

G

G

F

L

D

D

H

N

I

I

D

D

T

V

E

E

Y

A

C

A

K

K

Q

E

A

K

G

G

I

I

E

E

W

V

A

V

N

N

A

A

P

P

G

A

C

A

N
x
S

S

S

A

R

S

S

V
|
V

A

A

Q

E

Y

L

I

A

Q

V

S

G

S

L

L

M

L

F

-

S

-

V

-

A

-

R

-

K

-

I

-

A

-

F

-

A

-

D

-

R

-

K

-

M

-

R

-

E

-

G

I

V

W

W

-

A

-

K

K

K

S

E

L

A

R

M

N

G

K

I

K

E

P

L

D

E

E

G

L

K

T

T

I

I

G

G

I

I

I

I

G
|
G

V
x
F

G
|
G

N
x
R

V
x
I

G

G

S

Y

K

Q

V

V

A

A

K

K

V

I

A

A

Q

N

D

A

F

L

G

G

M

M

R

N

V

I

L

L

L

L

N
x
Y

D
|
D

-
x
P

L

Y

P

P

R

N

E

E

E

E

-

R

-

A

K

K

E

E

G

V

N

N

I

G

T

K

F

F

T

V

S

D

L

L

E

E

K

T

I

L

A

L

E

K

E

E

C

S

D

D

I

V

I

V

T

T

F

I

H

H

V
|
V

P
|
P

L

L

Y

V

K

E

E

-

G

-

K

-

Y

-

K

S

T
|
T

Y

Y

H

H

L

L

A

I

D

N

G

E

N

E

F

R

F

L

R

K

S

L

L

M

Q

K

R

K

K

T

P

A

V

I

V

L

I

I

N

N

T
|
T

S
|
S

R
|
R

G

G

E

P

V

V

I

V

E

D

T

T

N

N

A

A

L

L

L

V

E

K

A

A

I

L

N

K

N

E

G

G

I

W

I

I

S

A

D

G

A

A

V

G

I

L

D
|
D

V

V

W

F

E

E

H

E

E
|
E

P

P

E

L

I

P

N

K

R

D

E

H

L

P

L

L

E

T

K

K

V

F

-

D

-

N

L

V

I

V

G

L

T

T

P

P

H
|
H

I

I

A
x
G

G

A

Y

S

S

T

A

V

D

E

G

A

K

Q

A

E

N

R

A

A

active site: S96 (≠ N92), R230 (= R209), D254 (= D233), E259 (= E238), H278 (= H255)
binding nicotinamide-adenine-dinucleotide: V100 (= V96), G146 (= G124), F147 (≠ V125), G148 (= G126), R149 (≠ N127), I150 (≠ V128), Y168 (≠ N146), D169 (= D147), P170 (vs. gap), V201 (= V176), P202 (= P177), T207 (= T186), T228 (= T207), S229 (= S208), D254 (= D233), H278 (= H255), G280 (≠ A257)

3kb6B Crystal structure of d-lactate dehydrogenase from aquifex aeolicus complexed with NAD and lactic acid (see paper)
30% identity, 72% coverage: 9:260/348 of query aligns to 13:299/334 of 3kb6B

query
sites
3kb6B

I

V

P

P

Y

F

I

Y

K

Q

E

E

A

A

A

L

E

K

K

D

I

L

A

S

D

L

E

K

A

I

I

Y

Y

T

A

T

P

D

G

V

K

S

D

K

F

V

T

P

R

E

E

N

L

E

V

L

Q

K

D

K

A

A

D

E

A

L

L

I

I

S

I

V

R
x
F

T

V

R

Y

T

D

H

K

C

L

N

T

R

E

E

E

L

L

L

L

E

S

G

K

S

M

-

P

K

R

V

L

K

K

F

L

I

I

A

H

T

T

A

R

T
x
S

I
x
V

G
|
G

F

F

D

D

H

H

I

I

D

D

T

L

E

D

Y

Y

C

C

K

K

Q

K

A

K

G

G

I

I

E

L

W

V

A

T

N

H

A

I

P

P

G

A

C
x
Y

N
x
S

S

P

A

E

S

S

V
|
V

A

A

Q

E

Y

H

I

T

Q

F

S

A

S

M

L

I

L

L

-

T

I

L

W

V

K

K

S

R

L

L

R

K

N

R

-

I

-

E

-

D

-

R

-

V

-

K

-

K

-

L

-

N

-

F

-

S

-

Q

-

D

-

S

-

E

-

I

-

L

-

A

K

R

K

E

P

L

D

N

E

R

L

L

T

T

I

L

G

G

I

V

I

I

G

G

V

T

G
|
G

N
x
R

V
x
I

G

G

S

S

K

R

V

V

A

A

K

M

V

Y

A

G

Q

L

D

A

F

F

G

G

M

M

R

K

V

V

L

L

L

C

N

Y

D
|
D

L
x
V

P

V

R

K

E

R

E

E

-

D

-

L

K

K

E

E

G

K

N

G

I

C

T

V

F

Y

T

T

S

S

L

L

E

D

K

E

I

L

A

L

E

K

E

E

C

S

D

D

I

V

I

I

T

S

F

L

H

H

V

V

P
|
P

L

Y

Y

T

K

K

E

E

G

-

K

-

Y

-

K

-

T

T

Y

H

H

H

L

M

A

I

D

N

G

E

N

E

F

R

F

I

R

S

S

L

L

M

Q

K

R

D

K

G

P

V

V

Y

V

L

I

I

N

N

T
|
T

S
x
A

R
|
R

G

G

E

K

V

V

I

V

E

D

T

T

N

D

A

A

L

L

L

Y

E

R

A

A

I

Y

N

Q

N

R

G

G

I

K

I

F

S

S

D

G

A

L

V

G

I

L

D
|
D

V

V

W

F

E

E

H

D

E
|
E

-

E

-

I

-

L

-

I

-

L

-

K

-

K

-

Y

-

T

-

E

-

G

-

K

-

A

P

T

E

D

I

K

N

N

R

L

E

K

L

I

L

L

E

E

K

L

V

A

-

C

-

K

-

D

-

N

L

V

I

I

G

I

T

T

P

P

H
|
H

I

I

A
|
A

G
x
Y

Y

Y

S

T

active site: S97 (≠ N92), R231 (= R209), D255 (= D233), E260 (= E238), H294 (= H255)
binding lactic acid: F49 (≠ R45), S72 (≠ T67), V73 (≠ I68), G74 (= G69), Y96 (≠ C91), R231 (= R209), H294 (= H255)
binding nicotinamide-adenine-dinucleotide: V73 (≠ I68), Y96 (≠ C91), V101 (= V96), G150 (= G126), R151 (≠ N127), I152 (≠ V128), D171 (= D147), V172 (≠ L148), P203 (= P177), T229 (= T207), A230 (≠ S208), R231 (= R209), H294 (= H255), A296 (= A257), Y297 (≠ G258)

6biiA Crystal structure of pyrococcus yayanosii glyoxylate hydroxypyruvate reductase in complex with NADP and malonate (re-refinement of 5aow) (see paper)
29% identity, 70% coverage: 34:278/348 of query aligns to 40:310/332 of 6biiA

query
sites
6biiA

E

E

L

K

V

V

Q

K

D

D

A

V

D

D

A

A

L

L

I

V

I

T

R

M

T

L

R

S

T

E

H

K

C

I

N

D

R

R

E

E

L

V

L

F

E

D

G

A

S

A

-

P

K

R

V

L

K

R

F

I

I

V

A

A

T

N

A

Y

T

A

I
x
V

G

G

F

Y

D

D

H

N

I

I

D

D

T

I

E

E

Y

E

C

A

K

T

Q

K

A

R

G

G

I

I

E

Y

W

V

A

T

N

N

A

T

P

P

G

D

C

V

N
x
L

S

T

A

D

S

A

V
x
T

A

A

-

D

-

L

-

A

-

W

-

A

-

L

-

L

-

L

-

A

-

A

-

A

-

R

-

H

-

V

-

V

-

K

-

G

-

D

Q

K

Y

F

I

V

Q

R

S

S

S

G

L

E

-

W

-

K

-

R

-

R

-

G

L

I

I

A

W

W

-

H

-

P

K

K

S

M

L

F

R

L

N

G

K

Y

K

D

P

V

D

Y

E

G

L

K

T

T

I

I

G

G

I

I

I

V

G
|
G

V
x
F

G
|
G

N
x
R

V
x
I

G

G

S

Q

K

A

V

I

A

A

K

K

V

R

A

A

Q

K

D

G

F

F

G

G

M

M

R

R

V

I

L

L

L

Y

-

T

-
x
A

-
x
R

N
x
S

D

R

L
x
K

P

P

R

E

E

A

E

E

K

K

E

E

G

L

N

G

I

A

T

E

F

F

T

K

S

P

L

L

E

E

K

E

I

L

A

L

E

R

E

E

C

S

D

D

I

F

I

V

T

V

F

L

H

A

V
|
V

P
|
P

L

L

Y

T

K

K

E
|
E

G

-

K

-

Y

-

K

-

T
|
T

Y

Y

H

H

L

M

A

I

D

N

G

E

N

E

F

R

F

L

R

R

S

L

L

M

Q

K

R

P

K

T

P

A

V

V

V

L

I

V

N

N

T
x
V

S
x
A

R
|
R

G

G

E

K

V

V

I

V

E

D

T

T

N

K

A

A

L

L

L

I

E

R

A

A

I

L

N

K

N

E

G

G

I

W

I

I

S

A

D

A

A

A

V

G

I

L

D
|
D

V

V

W

F

E

E

H

E

E
|
E

P

P

E

Y

I

Y

N

D

R

E

E

E

L

L

-

F

-

A

L

L

E

D

K

N

V

V

L

V

I

L

G

-

T

T

P

P

H
|
H

I

I

A
x
G

G

S

Y

A

S

T

A

F

D

G

G

A

K

R

A

E

N

G

A

M

T

A

R

E

M

L

S

V

L

A

D

K

S

N

I

L

C

I

R

A

F

F

active site: L99 (≠ N92), R240 (= R209), D264 (= D233), E269 (= E238), H287 (= H255)
binding nadp nicotinamide-adenine-dinucleotide phosphate: V75 (≠ I68), T103 (≠ V96), G156 (= G124), F157 (≠ V125), G158 (= G126), R159 (≠ N127), I160 (≠ V128), A179 (vs. gap), R180 (vs. gap), S181 (≠ N146), K183 (≠ L148), V211 (= V176), P212 (= P177), E216 (= E181), T217 (= T186), V238 (≠ T207), A239 (≠ S208), R240 (= R209), D264 (= D233), H287 (= H255), G289 (≠ A257)

2eklA Structure of st1218 protein from sulfolobus tokodaii
31% identity, 72% coverage: 25:276/348 of query aligns to 30:303/312 of 2eklA

query
sites
2eklA

Y

Y

A

M

P

P

-

E

-

I

G

S

K

K

D

E

F

E

T

L

R

L

E

N

L

I

V

I

Q

G

D

N

A

Y

D

D

A

I

L

I

I

V

I

V

R

R

T

S

R

R

T

T

H

K

C

V

N

T

R

K

E

D

L

V

L

I

E

E

-

K

G

G

S

K

K

K

V

L

K

K

F

I

I

I

A

A

T

R

A

A

T

G

I
|
I

G

G

F

L

D

D

H

N

I

I

D

D

T

T

E

E

Y

E

C

A

K

E

Q

K

A

R

G

N

I

I

E

K

W

V

A

V

N

Y

A

A

P

P

G

G

C

A

N
x
S

S

T

A

D

S

S

-

A

-

V

-

E

-

L

-

T

-

I

-

G

-

L

-

M

-

I

-

A

V

A

A

A

Q

R

Y

K

I

M

Q

Y

S

T

S

S

L

M

L

A

I

L

W

A

K

K

S

S

L

G

R

I

N

F

K

K

K

K

P

I

D

E

E

G

L

L

-

E

-

L

-

A

-

G

-

K

T

T

I

I

G

G

I

I

I

V

G
|
G

V

F

G
|
G

N
x
R

V
x
I

G

G

S

T

K

K

V

V

A

G

K

I

V

I

A

A

Q

N

D

A

F

M

G

G

M

M

R

K

V

V

L

L

L

A

N
x
Y

D
|
D

L
x
I

P
x
L

-

D

-

I

R

R

E

E

E

K

K

A

E

E

G

K

-

I

N

N

I

A

T

K

F

A

T

V

S

S

L

L

E

E

K

E

I

L

A

L

E

K

E

N

C

S

D

D

I

V

I

I

T

S

F

L

H
|
H

V
|
V

P
x
T

L

V

Y

S

K

K

E

D

G

A

K

K

Y

-

K

-

T

-

Y

-

H

P

L
x
I

A

I

D

D

G

Y

N

P

F

Q

F

F

R

E

S

L

L

M

Q

K

R

D

K

N

P

V

V

I

V

I

I

V

N

N

T
|
T

S
|
S

R
|
R

G

A

E

V

V

A

I

V

E

N

T

G

N

K

A

A

L

L

L

L

E

D

A

Y

I

I

N

K

N

K

G

G

I

K

I

V

S

Y

D

A

A

Y

V

A

I

T

D
|
D

V

V

W

F

E

W

H

N

E
|
E

P

P

-

P

-

K

-

E

E

E

I

W

N

E

R

L

E

E

L

L

L

L

-

K

-

H

E

E

K

R

V

V

L

I

I

V

G

-

T

T

P

T

H
|
H

I

I

A
x
G

G

A

Y

Q

S

T

A

K

D

E

G

A

K

Q

A

K

N

R

A

V

T

A

R

E

M

M

S

T

L

T

D

Q

S

N

I

L

C

L

active site: S100 (≠ N92), R232 (= R209), D256 (= D233), E261 (= E238), H282 (= H255)
binding nicotinamide-adenine-dinucleotide: I76 (= I68), S100 (≠ N92), G148 (= G124), G150 (= G126), R151 (≠ N127), I152 (≠ V128), Y170 (≠ N146), D171 (= D147), I172 (≠ L148), L173 (≠ P149), H202 (= H175), V203 (= V176), T204 (≠ P177), I212 (≠ L189), T230 (= T207), S231 (= S208), D256 (= D233), G284 (≠ A257)

5aovA Ternary crystal structure of pyrococcus furiosus glyoxylate hydroxypyruvate reductase in presence of glyoxylate (see paper)
27% identity, 70% coverage: 34:278/348 of query aligns to 41:311/334 of 5aovA

query
sites
5aovA

E

E

L

K

V

V

Q

K

D

D

A

V

D

D

A

A

L

L

I

V

I

T

R
x
M

T
x
L

R

S

T

E

H

R

C

I

N

D

R

Q

E

E

L

V

L

F

E

E

G

N

S

A

-

P

K

R

V

L

K

R

F

I

I

V

A

A

T

N

A
x
Y

T
x
A

I
x
V

G
|
G

F

Y

D

D

H

N

I

I

D

D

T

V

E

E

Y

E

C

A

K

T

Q

R

A

R

G

G

I

I

E

Y

W

V

A

T

N

N

A

T

P

P

G

D

C

V

N
x
L

S

T

A

N

S

A

V
x
T

A

A

Q

D

Y

H

I

-

Q

A

S

F

S

A

L

L

L

L

I

L

W

A

K

T

S

A

L

R

R

H

N

V

K

V

K

K

P

G

D

D

E

K

L

F

-

V

-

R

-

S

-

G

-

E

-

W

-

K

-

R

-

K

-

G

-

I

-

A

-

W

-

H

-

P

-

K

-

W

-

F

-

L

-

G

-

Y

-

E

-

L

-

Y

-

G

-

K

T

T

I

I

G

G

I

I

I

V

G

G

V
x
F

G
|
G

N
x
R

V
x
I

G

G

S

Q

K

A

V

I

A

A

K

R

V

R

A

A

Q

K

D

G

F

F

G

N

M

M

R

R

V

I

L

L

L

Y

N

Y

D
x
S

L
x
R

P

T

R

R

E

K

-

S

-

Q

-

A

E

E

K

K

E

E

G

L

N

G

I

A

T

E

F

Y

T

R

S

P

L

L

E

E

K

E

I

V

A

L

E

K

E

E

C

S

D

D

I

F

I

V

T

I

F

L

H
x
A

V
|
V

P
|
P

L

L

Y

T

K

K

E

E

G

-

K

-

Y

-

K

-

T
|
T

Y

M

H

Y

L

M

A

I

D

N

G

E

N

E

F

R

F

L

R

K

S

L

L

M

Q

K

R

P

K

T

P

A

V

I

V

L

I

V

N

N

T
x
I

S
x
A

R
|
R

G

G

E

K

V

V

I

V

E

D

T

T

N

K

A

A

L

L

L

I

E

K

A

A

I

L

N

K

N

E

G

G

I

W

I

I

S

A

D

G

A

A

V

G

I

L

D
|
D

V

V

W

F

E

E

H

E

E
|
E

P

P

E

Y

I

Y

N

N

R

E

E

E

L

L

-

F

-

S

L

L

E

D

K

N

V

V

L

V

I

L

G

-

T

T

P

P

H
|
H

I

I

A
x
G

G

S

Y

A

S

T

A

F

D

E

G

A

K

R

A

E

N

A

A

M

T

A

R

E

M

L

S

V

L

A

D

R

S

N

I

L

C

I

R

A

F

F

active site: L100 (≠ N92), R241 (= R209), D265 (= D233), E270 (= E238), H288 (= H255)
binding glyoxylic acid: M52 (≠ R45), L53 (≠ T46), L53 (≠ T46), Y74 (≠ A66), A75 (≠ T67), V76 (≠ I68), G77 (= G69), R241 (= R209), H288 (= H255)
binding nadp nicotinamide-adenine-dinucleotide phosphate: V76 (≠ I68), T104 (≠ V96), F158 (≠ V125), G159 (= G126), R160 (≠ N127), I161 (≠ V128), S180 (≠ D147), R181 (≠ L148), A211 (≠ H175), V212 (= V176), P213 (= P177), T218 (= T186), I239 (≠ T207), A240 (≠ S208), R241 (= R209), H288 (= H255), G290 (≠ A257)

4njmA Crystal structure of phosphoglycerate bound 3-phosphoglycerate dehydrogenase in entamoeba histolytica (see paper)
29% identity, 80% coverage: 1:279/348 of query aligns to 3:289/303 of 4njmA

query
sites
4njmA

M

M

K

K

I

I

I

V

I

V

D

I

D

T

K

E

I
x
K

P

P

Y

F

-

A

-

E

-

N

-

A

-

V

-

K

-

G

I

I

K

R

E

E

A

I

A

L

E

E

K

K

I

A

A

G

D

H

E

E

A

V

I

V

-

M

-

I

-

E

-

K

Y

Y

A

K

P

K

G

K

K

E

D

D

F

V

T

I

R

-

E

E

L

R

V

I

Q

K

D

D

A

A

D

D

A

G

L

V

I

I

I

V

R
|
R

T
x
S

R

D

T

K

H

I

C

D

N

E

R

E

E

I

L

I

L

K

E

A

G

G

S

E

K

K

V

V

K

K

F

I

I

I

A

V

T
x
R

A

A

T
x
G

I
x
A

G

G

F

Y

D

D

H

N

I

I

D

D

T

I

E

E

Y

A

C

C

K

N

Q

Q

A

G

G

K

I

I

E

V

W

V

A

M

N

N

A

T

P

P

G

G

C

Q

N
|
N

S

R

A

N

S

G

V

V

A

A

Q

E

Y

L

I

C

Q

I

S

G

S

M

L

M

L

I

I

F

W

G

-

F

-

R

K

K

S

G

L

F

R

K

N

E

K

G

K

K

P

G

D

R

E

E

L

L

-

K

-

D

-

K

T

T

I

L

G

G

I

I

I

C

G

G

V

C

G

G

N

Y

V

V

G

G

S

K

K

R

V

V

A

K

K

E

V

I

A

A

Q

E

D

G

F

I

G

G

M

M

R

K

V

I

L

K

L

V

N

Y

D

D

L

-

P

P

R

F

E

I

E

T

K

T

E

E

G

N

N

Q

I

V

T

-

F

-

T

K

S

K

L

I

E

E

K

E

I

L

A

F

E

E

E

E

C

C

D

Q

I

V

I

I

T

S

F

L

H

H

V

L

P

P

L

L

Y

T

K

K

E

E

G

T

K

K

Y

G

K

K

T

I

Y

G

H

Y

L

-

A

-

D

-

G

-

N

E

F

L

F

I

R

K

S

K

L

L

Q

P

R

Y

K

G

P

G

V

M

V

I

I

C

N

N

T

T

S

A

R
|
R

G

K

E

E

V

I

I

I

E

D

T

E

N

E

A

G

L

L

L

I

E

R

A

I

I

M

N

R

N

E

G

R

I

E

I

D

S

L

D

I

A

Y

V

I

I

T

D
|
D

V

V

W

A

E

P

H

T

E
x
S

P

K

E

V

I

F

N

N

R

N

E

E

L

F

L

K

E

G

K

R

V

F

L

F

I

A

G

T

T

P

P

I

H
x
K

I

I

A

G

G
x
A

Y

E

S

T

A

E

D

E

G

S

K

N

A

I

N

N

A

A

T

G

R

M

M

A

S

A

L

A

D

S

S

Q

I

I

C

C

R

D

F

F

F

F

active site: N104 (= N92), R219 (= R209), D243 (= D233), S248 (≠ E238), K265 (≠ H255)
binding 3-phosphoglyceric acid: K11 (≠ I9), R57 (= R45), S58 (≠ T46), R77 (≠ T65), G79 (≠ T67), A80 (≠ I68), N104 (= N92), R219 (= R209), K265 (≠ H255), A268 (≠ G258)

4njoA Crystal structure of cofactor(NAD+) bound 3-phosphoglycerate dehydrogenase in entamoeba histolytica (see paper)
29% identity, 80% coverage: 1:279/348 of query aligns to 3:289/302 of 4njoA

query
sites
4njoA

M

M

K

K

I

I

I

V

I

V

D

I

D

T

K

E

I

K

P

P

Y

F

-

A

-

E

-

N

-

A

-

V

-

K

-

G

I

I

K

R

E

E

A

I

A

L

E

E

K

K

I

A

A

G

D

H

E

E

A

V

I

V

-

M

-

I

-

E

-

K

Y

Y

A

K

P

K

G

K

K

E

D

D

F

V

T

I

R

-

E

E

L

R

V

I

Q

K

D

D

A

A

D

D

A

G

L

V

I

I

I

V

R

R

T

S

R

D

T

K

H

I

C

D

N

E

R

E

E

I

L

I

L

K

E

A

G

G

S

E

K

K

V

V

K

K

F

I

I

I

A

V

T

R

A

A

T

G

I
x
A

G

G

F

Y

D

D

H

N

I

I

D

D

T

I

E

E

Y

A

C

C

K

N

Q

Q

A

G

G

K

I

I

E

V

W

V

A

M

N

N

A

T

P

P

G

G

C

Q

N
|
N

S

R

A

N

S

G

V
|
V

A

A

Q

E

Y

L

I

C

Q

I

S

G

S

M

L

M

L

I

I

F

W

G

-

F

-

R

K

K

S

G

L

F

R

K

N

E

K

G

K

K

P

G

D

R

E

E

L

L

-

K

-

D

-

K

T

T

I

L

G

G

I

I

I

C

G

G

V

C

G
|
G

N
x
Y

V
|
V

G

G

S

K

K

R

V

V

A

K

K

E

V

I

A

A

Q

E

D

G

F

I

G

G

M

M

R

K

V

I

L

K

L

V

N

Y

D
|
D

L

-

P

P

R
x
F

E

I

E

T

K

T

E

E

G

N

N

Q

I

V

T

-

F

-

T

K

S

K

L

I

E

E

K

E

I

L

A

F

E

E

E

E

C

C

D

Q

I

V

I

I

T

S

F

L

H
|
H

V
x
L

P
|
P

L

L

Y

T

K

K

E

E

G

T

K

K

Y

G

K

K

T

I

Y

G

H

Y

L

-

A

-

D

-

G

-

N

E

F

L

F

I

R

K

S

K

L

L

Q

P

R

Y

K

G

P

G

V

M

V

I

I

C

N

N

T
|
T

S
x
A

R
|
R

G

K

E

E

V

I

I

I

E

D

T

E

N

E

A

G

L

L

L

I

E

R

A

I

I

M

N

R

N

E

G

R

I

E

I

D

S

L

D

I

A

Y

V

I

I

T

D
|
D

V

V

W

A

E

P

H

T

E
x
S

P

K

E

V

I

F

N

N

R

N

E

E

L

F

L

K

E

G

K

R

V

F

L

F

I

A

G

T

T

P

P

I

H
x
K

I

I

A
x
G

G

A

Y

E

S

T

A

E

D

E

G

S

K

N

A

I

N

N

A

A

T

G

R

M

M

A

S

A

L

A

D

S

S

Q

I

I

C

C

R

D

F

F

F

F

active site: N104 (= N92), R219 (= R209), D243 (= D233), S248 (≠ E238), K265 (≠ H255)
binding nicotinamide-adenine-dinucleotide: A80 (≠ I68), V108 (= V96), G143 (= G126), Y144 (≠ N127), V145 (= V128), D164 (= D147), F166 (≠ R150), H189 (= H175), L190 (≠ V176), P191 (= P177), T217 (= T207), A218 (≠ S208), R219 (= R209), K265 (≠ H255), G267 (≠ A257)

6cwaA Crystal structure phgdh in complex with nadh and 3-phosphoglycerate at 1.77 a resolution (see paper)
27% identity, 66% coverage: 36:265/348 of query aligns to 39:287/299 of 6cwaA

query
sites
6cwaA

V

L

Q

Q

D

D

A

C

D

E

A

G

L

L

I

I

I

V

R

R

T

S

R

A

T

T

H

K

C

V

N

T

R

A

E

D

L

V

L

I

E

N

G

A

S

A

-

E

K

K

V

L

K

Q

F

V

I

V

A

G

T

R

A

A

T

G

I

T

G

G

F

V

D

D

H

N

I

V

D

D

T

L

E

E

Y

A

C

A

K

T

Q

R

A

K

G

G

I

I

E

L

W

V

A

M

N

N

A

T

P

P

G

N

C

G

N
|
N

S

S

A

L

S

S

V
x
A

A

A

Q

E

Y

L

I

T

Q

C

S

G

S

M

L

I

L

M

I

C

-

L

-

A

-

R

-

Q

-

I

-

P

-

Q

-

A

-

T

-

A

-

S

-

M

-

K

-

D

-

G

-

K

W

W

-

E

-

R

K

K

S

K

L

F

R

M

N

G

K

T

K

E

P

L

D

N

E

G

L

K

T

T

I

L

G

G

I

I

I

L

G

G

V

L

G

G

N
x
R

V
x
I

G

G

S

R

K

E

V

V

A

A

K

T

V

R

A

M

Q

Q

D

S

F

F

G

G

M

M

R

K

V

T

L

I

L

G

N
x
Y

D
|
D

-
x
P

-
x
I

-

I

L

S

P

P

R

E

E

V

E

S

K

A

E

S

G

F

N

G

I

V

T

Q

F

Q

T

L

S

P

L

L

E

E

K

E

I

I

A

W

E

P

E

L

C

C

D

D

I

F

I

I

T

T

F

V

H
|
H

V
x
T

P
|
P

L

L

Y

L

K

P

E

-

G

-

K

-

Y

-

K

S

T
|
T

Y

T

H

G

L

L

A

L

D

N

G

D

N

N

F

T

F

F

R

A

S

Q

L

C

Q

K

R

K

K

G

P

V

V

R

V

V

I

V

N

N

T
x
C

S
x
A

R
|
R

G

G

E

G

V

I

I

V

E

D

T

E

N

G

A

A

L

L

L

L

E

R

A

A

I

L

N

Q

N

S

G

G

I

Q

I

C

S

A

D

G

A

A

V

A

I

L

D

D

V

V

W

F

E

T

H

E

E

E

P

P

E

P

I

R

N

D

R

R

E

A

L

L

L

V

E

D

-

H

K

E

V

N

L

V

I

I

G

S

T

C

P

P

H
|
H

I

L

A
x
G

G

A

Y

S

S

T

A

K

D

E

G

A

K

Q

A

S

binding 1,4-dihydronicotinamide adenine dinucleotide: N96 (= N92), A100 (≠ V96), R149 (≠ N127), I150 (≠ V128), Y168 (≠ N146), D169 (= D147), P170 (vs. gap), I171 (vs. gap), H200 (= H175), T201 (≠ V176), P202 (= P177), T207 (= T186), C228 (≠ T207), A229 (≠ S208), R230 (= R209), H277 (= H255), G279 (≠ A257)

6rj5A Crystal structure of phgdh in complex with compound 39 (see paper)
27% identity, 66% coverage: 36:265/348 of query aligns to 40:288/301 of 6rj5A

query
sites
6rj5A

V

L

Q

Q

D

D

A

C

D

E

A

G

L

L

I

I

I

V

R

R

T

S

R

A

T

T

H

K

C

V

N

T

R

A

E

D

L

V

L

I

E

N

G

A

S

A

-

E

K

K

V

L

K

Q

F

V

I

V

A

G

T

R

A

A

T

G

I

T

G

G

F

V

D

D

H

N

I

V

D

D

T

L

E

E

Y

A

C

A

K

T

Q

R

A

K

G

G

I

I

E

L

W

V

A

M

N

N

A

T

P

P

G

N

C

G

N

N

S

S

A

L

S

S

V

A

A

A

Q

E

Y

L

I

T

Q

C

S

G

S

M

L

I

L

M

I

C

-

L

-

A

-

R

-

Q

-

I

-

P

-

Q

-

A

-

T

-

A

-

S

-

M

-

K

-

D

-

G

-

K

W

W

-

E

-

R

K

K

S

K

L

F

R

M

N

G

K

T

K

E

P

L

D

N

E

G

L

K

T

T

I

L

G

G

I

I

I
x
L

G

G

V

L

G

G

N

R

V

I

G

G

S

R

K

E

V

V

A

A

K

T

V

R

A

M

Q

Q

D

S

F

F

G

G

M

M

R

K

V

T

L

I

L

G

N
x
Y

D
|
D

-
x
P

-

I

-
x
I

L

S

P

P

R

E

E

V

E

S

K

A

E

S

G

F

N

G

I

V

T

Q

F

Q

T

L

S

P

L

L

E

E

K

E

I

I

A

W

E

P

E

L

C

C

D

D

I

F

I

I

T

T

F

V

H
|
H

V
x
T

P
|
P

L

L

Y

L

K

P

E

-

G

-

K

-

Y

-

K

S

T

T

Y

T

H

G

L
|
L

A

L

D

N

G

D

N

N

F

T

F

F

R

A

S

Q

L

C

Q

K

R

K

K

G

P

V

V

R

V

V

I

V

N

N

T

C

S

A

R

R

G

G

E

G

V

I

I

V

E

D

T

E

N

G

A

A

L

L

L

L

E

R

A

A

I

L

N

Q

N

S

G

G

I

Q

I

C

S

A

D

G

A

A

V

A

I

L

D

D

V

V

W

F

E

T

H

E

E

E

P

P

E

P

I

R

N

D

R

R

E

A

L

L

L

V

E

D

-

H

K

E

V

N

L

V

I

I

G

S

T

C

P

P

H

H

I

L

A

G

G

A

Y

S

S

T

A

K

D

E

G

A

K

Q

A

S

binding 2-methyl-~{N}-[(1~{R})-1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-5-phenyl-pyrazole-3-carboxamide: L146 (≠ I123), Y169 (≠ N146), D170 (= D147), P171 (vs. gap), I173 (vs. gap), H201 (= H175), T202 (≠ V176), P203 (= P177), L211 (= L189)

6rj3A Crystal structure of phgdh in complex with compound 15 (see paper)
27% identity, 66% coverage: 36:265/348 of query aligns to 39:287/297 of 6rj3A

query
sites
6rj3A

V

L

Q

Q

D

D

A

C

D

E

A

G

L

L

I

I

I

V

R

R

T

S

R

A

T

T

H

K

C

V

N

T

R

A

E

D

L

V

L

I

E

N

G

A

S

A

-

E

K

K

V

L

K

Q

F

V

I

V

A

G

T

R

A

A

T

G

I

T

G

G

F

V

D

D

H

N

I

V

D

D

T

L

E

E

Y

A

C

A

K

T

Q

R

A

K

G

G

I

I

E

L

W

V

A

M

N

N

A

T

P

P

G

N

C

G

N

N

S

S

A

L

S

S

V

A

A

A

Q

E

Y

L

I

T

Q

C

S

G

S

M

L

I

L

M

I

C

-

L

-

A

-

R

-

Q

-

I

-

P

-

Q

-

A

-

T

-

A

-

S

-

M

-

K

-

D

-

G

-

K

W

W

-

E

-

R

K

K

S

K

L

F

R

M

N

G

K

T

K

E

P

L

D

N

E

G

L

K

T

T

I

L

G

G

I

I

I
x
L

G

G

V

L

G

G

N

R

V

I

G

G

S

R

K

E

V

V

A

A

K

T

V

R

A

M

Q

Q

D

S

F

F

G

G

M

M

R

K

V

T

L

I

L

G

N
x
Y

D
|
D

-
x
P

-
x
I

-
x
I

L

S

P

P

R

E

E

V

E

S

K

A

E

S

G

F

N

G

I

V

T

Q

F

Q

T

L

S

P

L

L

E

E

K

E

I

I

A

W

E

P

E

L

C

C

D

D

I

F

I

I

T

T

F

V

H
|
H

V
x
T

P
|
P

L

L

Y

L

K

P

E

-

G

-

K

-

Y

-

K

S

T

T

Y

T

H

G

L
|
L

A

L

D

N

G

D

N

N

F

T

F

F

R

A

S

Q

L

C

Q

K

R

K

K

G

P

V

V

R

V

V

I

V

N

N

T

C

S

A

R

R

G

G

E

G

V

I

I

V

E

D

T

E

N

G

A

A

L

L

L

L

E

R

A

A

I

L

N

Q

N

S

G

G

I

Q

I

C

S

A

D

G

A

A

V

A

I

L

D

D

V

V

W

F

E

T

H

E

E

E

P

P

E

P

I

R

N

D

R

R

E

A

L

L

L

V

E

D

-

H

K

E

V

N

L

V

I

I

G

S

T

C

P

P

H

H

I

L

A

G

G

A

Y

S

S

T

A

K

D

E

G

A

K

Q

A

S

binding 4-[(1~{R})-1-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]ethyl]benzoic acid: L145 (≠ I123), Y168 (≠ N146), D169 (= D147), P170 (vs. gap), I171 (vs. gap), I172 (vs. gap), H200 (= H175), T201 (≠ V176), P202 (= P177), L210 (= L189)

6plgA Crystal structure of human phgdh complexed with compound 15 (see paper)
27% identity, 66% coverage: 36:265/348 of query aligns to 40:288/303 of 6plgA

query
sites
6plgA

V

L

Q

Q

D

D

A

C

D

E

A

G

L

L

I

I

I

V

R

R

T

S

R

A

T

T

H

K

C

V

N

T

R

A

E

D

L

V

L

I

E

N

G

A

S

A

-

E

K

K

V

L

K

Q

F

V

I

V

A

G

T

R

A

A

T

G

I

T

G

G

F

V

D

D

H

N

I

V

D

D

T

L

E

E

Y

A

C

A

K

T

Q

R

A

K

G

G

I

I

E

L

W

V

A

M

N

N

A

T

P

P

G

N

C

G

N

N

S

S

A

L

S

S

V

A

A

A

Q

E

Y

L

I

T

Q

C

S

G

S

M

L

I

L

M

I

C

-

L

-

A

-

R

-

Q

-

I

-

P

-

Q

-

A

-

T

-

A

-

S

-

M

-

K

-

D

-

G

-

K

W

W

-

E

-

R

K

K

S

K

L

F

R

M

N

G

K

T

K

E

P

L

D

N

E