SitesBLAST

6biiA Crystal structure of pyrococcus yayanosii glyoxylate hydroxypyruvate reductase in complex with NADP and malonate (re-refinement of 5aow) (see paper)
33% identity, 87% coverage: 38:306/309 of query aligns to 40:310/332 of 6biiA

query
sites
6biiA

E

E

R

K

V

V

C

K

D

D

A

V

E

D

V

A

I

L

V

V

T

T

N

M

-

L

K

S

V

E

V

K

I

I

N

D

D

R

A

E

V

V

M

F

E

D

S

A

A

A

P

P

N

R

L

L

K

R

L

I

I

V

C

A

V

N

A

Y

A

A

T
x
V

G

G

T

Y

N

D

N

N

I

I

D

D

H

I

E

E

A

E

A

A

K

T

R

K

R

R

G

G

I

I

A

Y

V

V

K

T

N

N

V

T

A

P

G

D

Y

V

S
x
L

T

T

D

D

A

A

V
x
T

V

A

Q

D

H

L

T

A

F

W

S

A

M

L

L

L

F

L

Y

A

L

A

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A

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H

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Y

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A

A

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H

I

-

G

-

P

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M

-

F

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L

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G

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Y

E

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G

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K

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I

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G

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G

L
x
F

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G

E
x
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I

G

G

R

Q

G

A

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I

A

A

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K

V

R

A

A

Q

K

A

G

F

F

G

G

A

M

N

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I

C

L

Y

Y

Y

T

S
x
A

T
x
R

S
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S

G

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K
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K

N

P

D

E

N

A

G

E

E

K

-

E

-

L

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G

Y

A

E

E

K

F

T

K

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P

L

L

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E

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N

E

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D

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I

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A

A
x
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P

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L

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K

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x
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T

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Y

N

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N

H

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S

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E

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Q

L

M

M

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K

D

P

G

T

A

A

V

V

L

L

L

V

N

N

L
x
V

G
x
A

R
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R

G

G

G

K

I

V

V

V

D

D

E

T

D

K

A

A

L

L

S

-

V

-

I

I

I

R

D

A

V

L

K

K

P

E

I

G

F

W

V

I

-

A

G

G

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D
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D

V

V

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E
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E

P

P

M

Y

K

Y

T

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S

E

H

E

P

-

L

L

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F

S

A

V

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-

H

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P

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E

D

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N

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Y

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P

H
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H

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x
G

W

S

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S

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F

E

G

A

A

R

R

E

E

R

G

L

M

I

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N

N

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A

F

F

active site: L99 (≠ S96), R240 (= R233), D264 (= D256), E269 (= E261), H287 (= H283)
binding nadp nicotinamide-adenine-dinucleotide phosphate: V75 (≠ T72), T103 (≠ V100), G156 (= G152), F157 (≠ L153), G158 (= G154), R159 (≠ E155), I160 (= I156), A179 (≠ S175), R180 (≠ T176), S181 (= S177), K183 (= K179), V211 (≠ A204), P212 (= P205), E216 (≠ S209), T217 (= T210), V238 (≠ L231), A239 (≠ G232), R240 (= R233), D264 (= D256), H287 (= H283), G289 (≠ A285)

6cdfA Human ctbp1 (28-378) (see paper)
32% identity, 87% coverage: 24:291/309 of query aligns to 13:299/333 of 6cdfA

query
sites
6cdfA

D

D

V

C

A

T

V

V

Y

E

Q

M

T

P

T

I

F

L

S

K

D

D

E

V

T

A

T

T

E

V

R

A

V

F

C

C

D

D

A

A

E

Q

V

S

I

T

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Q

-

E

T

I

N

H

K

E

V

K

V

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I

L

N

N

D

E

A

A

V

V

-

G

-

A

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L

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M

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Y

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H

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T

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I

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T

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L

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T

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R

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E

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D

M

L

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E

S

K

A

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P

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N

A

L

L

K

R

L

I

I

I

C

V

V

R

A

I

A

G

T

S

G

G

T

F

N

D

N

N

I

I

D

D

H

I

E

K

A

S

A

A

K

G

R

D

R

L

G

G

I

I

A

A

V

V

K

C

N

N

V

V

A

P

G

A

Y

A

S

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D

E

A

E

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x
T

V

A

Q

D

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T

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L

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C

M

H

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I

F

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Y

N

L

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Y

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Y

W

Y

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G

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G

A

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A

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R

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G

K

E

T

T

W

L

G

G

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G

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G

G

E
x
R

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x
V

G

G

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G

A

V

V

A

A

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A

A

Q

K

A

A

F

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G

G

A

F

N

N

V

V

C

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Y

F

Y
|
Y

-
x
D

-
x
P

-
x
Y

-

L

S

S

T

D

S

G

G

V

K

E

N

R

D

A

N

L

G

G

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N

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D

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C

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H

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x
C

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G

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L

N

N

A

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S

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x
N

E

H

N

H

L

L

I

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N

H

D

S

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E

T

L

V

L

K

Q

Q

M

M

K

R

D

Q

G

G

A

A

V

F

L

L

L

V

N

N

L
x
T

G
x
A

R
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R

G

G

I

L

V

V

D

D

E

E

D

K

A

A

L

L

S

A

V

Q

I

A

I

L

D

K

V

E

K

G

P

R

I

I

F

R

-

G

V

A

G

A

L

L

D

D

V

V

L

H

A

E

K

S

E

E

P

P

M

F

K

S

T

F

S

S

H

Q

-

G

P

P

L

L

L

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S

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V

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K

K

H

D

P

A

E

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R

N

L

L

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I

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C

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P

H
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H

I

A

A

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W
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W

T

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S

S

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E

E

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A

A

binding 1,4-dihydronicotinamide adenine dinucleotide: T104 (≠ V100), G157 (= G152), R160 (≠ E155), V161 (≠ I156), Y179 (= Y174), D180 (vs. gap), P181 (vs. gap), Y182 (vs. gap), H212 (= H203), C213 (≠ A204), N219 (≠ T210), T240 (≠ L231), A241 (≠ G232), R242 (= R233), H291 (= H283), W294 (= W286)

6v89A Human ctbp1 (28-375) in complex with amp (see paper)
32% identity, 87% coverage: 24:291/309 of query aligns to 12:298/332 of 6v89A

query
sites
6v89A

D

D

V

C

A

T

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V

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E

Q

M

T

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T

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F

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S

K

D

D

E

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A

T

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R

A

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F

C

C

D

D

A

A

E

Q

V

S

I

T

V

Q

-

E

T

I

N

H

K

E

V

K

V

V

I

L

N

N

D

E

A

A

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G

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A

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L

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M

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Y

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H

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E

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D

M

L

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S

K

A

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N

A

L

L

K

R

L

I

I

I

C

V

V

R

A

I

A

G

T

S

G

G

T

F

N

D

N

N

I

I

D

D

H

I

E

K

A

S

A

A

K

G

R

D

R

L

G

G

I

I

A

A

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K

C

N

N

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A

P

G

A

Y

A

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D

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A

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N

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Y

W

Y

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D

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Y

A

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G

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V

G

A

P

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S

G

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A

S

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R

R

G

G

K

E

T

T

W

L

G

G

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G
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G

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G
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G

E
x
R

I

V

G

G

R

Q

G

A

V

V

A

A

R

L

V

R

A

A

Q

K

A

A

F

F

G

G

A

F

N

N

V

V

C

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Y

F

Y
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Y

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x
D

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x
P

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x
Y

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L

S

S

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D

S

G

G

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K

E

N

R

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G

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K

V

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T

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L

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R

D

L

L

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L

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F

N

H

S

S

D

D

V

C

I

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S

T

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H

H

A
x
C

P

G

L

L

N

N

A

E

S

H

T
x
N

E

H

N

H

L

L

I

I

S

N

H

D

S

F

E

T

L

V

L

K

Q

Q

M

M

K

R

D

Q

G

G

A

A

V

F

L

L

L

V

N

N

L

T

G

A

R

R

G

G

I

L

V

V

D

D

E

E

D

K

A

A

L

L

S

A

V

Q

I

A

I

L

D

K

V

E

K

G

P

R

I

I

F

R

-

G

V

A

G

A

L

L

D

D

V

V

L

H

A

E

K

S

E

E

P

P

M

F

K

S

T

F

S

S

H

Q

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G

P

P

L

L

L

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S

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V

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K

K

H

D

P

A

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N

L

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Y

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C

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T

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H

H

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A

A

A

W

W

T

Y

S

S

R

E

E

Q

A

A

binding adenosine monophosphate: G156 (= G152), G158 (= G154), R159 (≠ E155), Y178 (= Y174), D179 (vs. gap), P180 (vs. gap), Y181 (vs. gap), C212 (≠ A204), N218 (≠ T210)

4lceA Ctbp1 in complex with substrate mtob (see paper)
32% identity, 87% coverage: 24:291/309 of query aligns to 11:297/327 of 4lceA

query
sites
4lceA

D

D

V

C

A

T

V

V

Y

E

Q

M

T

P

T

I

F

L

S

K

D

D

E

V

T

A

T

T

E

V

R

A

V

F

C

C

D

D

A

A

E

Q

V

S

I

T

V

Q

-

E

T

I

N

H

K

E

V

K

V

V

I

L

N

N

D

E

A

A

V

V

-

G

-

A

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L

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M

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Y

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H

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T

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I

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T

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L

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T

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R

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E

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D

M

L

E

E

S

K

A

F

P

K

N

A

L

L

K

R

L

I

I

I

C

V

V
x
R

A

I

A
x
G

T
x
S

G
|
G

T

F

N

D

N

N

I

I

D

D

H

I

E

K

A

S

A

A

K

G

R

D

R

L

G

G

I

I

A

A

V

V

K

C

N

N

V

V

A

P

G

A

Y

A

S
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S

T

V

D

E

A

E

V
x
T

V

A

Q

D

H

S

T

T

F

L

S

C

M

H

L

I

F

L

Y

N

L

L

M

Y

G

R

H

R

S

A

R

T

Y

W

Y

L

D

H

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Q

Y

A

V

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K

R

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E

G

G

A

T

W

R

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V

Q

Q

R

S

E

V

A

E

V

Q

F

I

A

R

H

E

I

V

G

A

P

S

S

G

F

A

S

A

E

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I

R

R

G

G

K

E

T

T

W

L

G

G

I

I

G
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G

L

L

G
|
G

E
x
R

I
x
V

G

G

R

Q

G

A

V

V

A

A

R

L

V

R

A

A

Q

K

A

A

F

F

G

G

A

F

N

N

V

V

C

L

Y

F

Y
|
Y

-
x
D

-
x
P

-
x
Y

-

L

S

S

T

D

S

G

G

V

K

E

N

R

D

A

N

L

G

G

E

L

Y

Q

E

R

K

V

T

S

T

T

L

L

S

Q

R

D

L

L

I

L

E

F

N

H

S

S

D

D

V

C

I

V

S

T

I

L

H
|
H

A
x
C

P

G

L

L

N
|
N

A

E

S

H

T
x
N

E

H

N

H

L

L

I

I

S

N

H

D

S

F

E

T

L

V

L

K

Q

Q

M

M

K

R

D

Q

G

G

A

A

V

F

L

L

L

V

N

N

L
x
T

G
x
A

R
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R

G

G

I

L

V

V

D

D

E

E

D

K

A

A

L

L

S

A

V

Q

I

A

I

L

D

K

V

E

K

G

P

R

I

I

F

R

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G

V

A

G

A

L

L

D
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D

V

V

L

H

A

E

K

S

E
|
E

P

P

M

F

K

S

T

F

S

S

H

Q

-

G

P

P

L

L

L

-

S

-

V

-

K

K

H

D

P

A

E

P

R

N

L

L

Y

I

I

C

T

T

P

P

H
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H

I

A

A

A

W
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W

T

Y

S

S

R

E

E

Q

A

A

active site: S98 (= S96), R240 (= R233), D264 (= D256), E269 (= E261), H289 (= H283)
binding 4-(methylsulfanyl)-2-oxobutanoic acid: R71 (≠ V69), G73 (≠ A71), S74 (≠ T72), G75 (= G73), R240 (= R233), H289 (= H283), W292 (= W286)
binding nicotinamide-adenine-dinucleotide: S74 (≠ T72), T102 (≠ V100), G155 (= G152), G157 (= G154), R158 (≠ E155), V159 (≠ I156), Y177 (= Y174), D178 (vs. gap), P179 (vs. gap), Y180 (vs. gap), H210 (= H203), C211 (≠ A204), N214 (= N207), N217 (≠ T210), T238 (≠ L231), A239 (≠ G232), R240 (= R233), W292 (= W286)

1hl3A Ctbp/bars in ternary complex with NAD(h) and pidlskk peptide (see paper)
32% identity, 87% coverage: 24:291/309 of query aligns to 12:298/331 of 1hl3A

query
sites
1hl3A

D

D

V

C

A

T

V

V

Y

E

Q
x
M

T

P

T

I

F

L

S

K

D

D

E

V

T

A

T

T

E
x
V

R
x
A

V
x
F

C
|
C

D

D

A

A

E

Q

V

S

I

T

V

Q

-
x
E

T

I

N
x
H

K
x
E

V

K

V

V

I

L

N

N

D

E

A

A

V

V

-

G

-

A

-

L

-

M

-

Y

-

H

-

T

-

I

-

T

-

L

-

T

-

R

-

E

-

D

M

L

E

E

S

K

A

F

P

K

N

A

L

L

K

R

L

I

I

I

C

V

V

R

A

I

A

G

T

S

G

G

T

F

N

D

N

N

I

I

D

D

H

I

E

K

A

S

A

A

K

G

R

D

R

L

G

G

I

I

A

A

V

V

K

C

N

N

V

V

A

P

G

A

Y

A

S
|
S

T

V

D

E

A

E

V
x
T

V

A

Q

D

H

S

T

T

F

L

S

C

M

H

L

I

F

L

Y

N

L

L

M

Y

G

R

H

R

S

T

R

T

Y

W

Y

L

D

H

E

Q

Y

A

V

L

K

R

S

E

G

G

A

T

W

R

-

V

Q

Q

R

S

E

V

A

E

V

Q

F

I

A

R

H

E

I

V

G

A

P

S

S

G

F

A

S

A

E

R

L

I

R

R

G

G

K

E

T

T

W

L

G

G

I

I

G

G

L

L

G
|
G

E
x
R

I
x
V

G

G

R

Q

G

A

V

V

A

A

R

L

V

R

A

A

Q

K

A

A

F

F

G

G

A

F

N

N

V

V

C

L

Y

F

Y

Y

-
x
D

-

P

-
x
Y

-

L

S

S

T

D

S

G

G

I

K

E

N

R

D

A

N

L

G

G

E

L

Y

Q

E

R

K

V

T

S

T

T

L

L

S

Q

R

D

L

L

I

L

E

F

N

H

S

S

D

D

V

C

I

V

S

T

I

L

H
|
H

A
x
C

P
x
G

L

L

N

N

A

E

S

H

T
x
N

E

H

N

H

L

L

I

I

S

N

H

D

S

F

E

T

L

V

L

K

Q

Q

M

M

K

R

D

Q

G

G

A

A

V

F

L

L

L

V

N

N

L
x
T

G
x
A

R
|
R

G

G

I

L

V

V

D

D

E

E

D

K

A

A

L

L

S

A

V

Q

I

A

I

L

D

K

V

E

K

G

P

R

I

I

F

R

-

G

V

A

G

A

L

L

D
|
D

V

V

L

H

A

E

K

S

E
|
E

P

P

M

F

K

S

T

F

S

S

H

Q

-

G

P

P

L

L

L

-

S

-

V

-

K

K

H

D

P

A

E

P

R

N

L

L

Y

I

I

C

T

T

P

P

H
|
H

I

A

A

A

W

W

T

Y

S

S

R

E

E

Q

A

A

active site: S99 (= S96), R241 (= R233), D265 (= D256), E270 (= E261), H290 (= H283)
binding nicotinamide-adenine-dinucleotide: T103 (≠ V100), G158 (= G154), R159 (≠ E155), V160 (≠ I156), D179 (vs. gap), Y181 (vs. gap), H211 (= H203), C212 (≠ A204), G213 (≠ P205), N218 (≠ T210), T239 (≠ L231), A240 (≠ G232), R241 (= R233), D265 (= D256), H290 (= H283)
binding : M17 (≠ Q29), V26 (≠ E38), A27 (≠ R39), F28 (≠ V40), C29 (= C41), E36 (vs. gap), H38 (≠ N49), E39 (≠ K50)

Sites not aligning to the query:

binding : 331

1hkuA Ctbp/bars: a dual-function protein involved in transcription corepression and golgi membrane fission (see paper)
32% identity, 87% coverage: 24:291/309 of query aligns to 12:298/331 of 1hkuA

query
sites
1hkuA

D

D

V

C

A

T

V

V

Y

E

Q

M

T

P

T

I

F

L

S

K

D

D

E

V

T

A

T

T

E

V

R

A

V

F

C

C

D

D

A

A

E

Q

V

S

I

T

V

Q

-

E

T

I

N

H

K

E

V

K

V

V

I

L

N

N

D

E

A

A

V

V

-

G

-

A

-

L

-

M

-

Y

-

H

-

T

-

I

-

T

-

L

-

T

-

R

-

E

-

D

M

L

E

E

S

K

A

F

P

K

N

A

L

L

K

R

L

I

I

I

C

V

V

R

A

I

A

G

T
x
S

G

G

T

F

N

D

N

N

I

I

D

D

H

I

E

K

A

S

A

A

K

G

R

D

R

L

G

G

I

I

A

A

V

V

K

C

N

N

V

V

A

P

G

A

Y

A

S
|
S

T

V

D

E

A

E

V
x
T

V

A

Q

D

H

S

T

T

F

L

S

C

M

H

L

I

F

L

Y

N

L

L

M

Y

G

R

H

R

S

T

R

T

Y

W

Y

L

D

H

E

Q

Y

A

V

L

K

R

S

E

G

G

A

T

W

R

-

V

Q

Q

R

S

E

V

A

E

V

Q

F

I

A

R

H

E

I

V

G

A

P

S

S

G

F

A

S

A

E

R

L

I

R

R

G

G

K

E

T

T

W

L

G

G

I

I

G
|
G

L

L

G
|
G

E
x
R

I
x
V

G

G

R

Q

G

A

V

V

A

A

R

L

V

R

A

A

Q

K

A

A

F

F

G

G

A

F

N

N

V

V

C

L

Y

F

Y
|
Y

-
x
D

-
x
P

-
x
Y

-

L

S

S

T

D

S

G

G

I

K

E

N

R

D

A

N

L

G

G

E

L

Y

Q

E

R

K

V

T

S

T

T

L

L

S

Q

R

D

L

L

I

L

E

F

N

H

S

S

D

D

V

C

I

V

S

T

I

L

H

H

A
x
C

P

G

L

L

N

N

A

E

S

H

T
x
N

E

H

N

H

L

L

I

I

S

N

H

D

S

F

E

T

L

V

L

K

Q

Q

M

M

K

R

D

Q

G

G

A

A

V

F

L

L

L

V

N

N

L
x
T

G
x
A

R
|
R

G

G

I

L

V

V

D

D

E

E

D

K

A

A

L

L

S

A

V

Q

I

A

I

L

D

K

V

E

K

G

P

R

I

I

F

R

-

G

V

A

G

A

L

L

D
|
D

V

V

L

H

A

E

K

S

E
|
E

P

P

M

F

K

S

T

F

S

S

H

Q

-

G

P

P

L

L

L

-

S

-

V

-

K

K

H

D

P

A

E

P

R

N

L

L

Y

I

I

C

T

T

P

P

H
|
H

I

A

A

A

W
|
W

T

Y

S

S

R

E

E

Q

A

A

active site: S99 (= S96), R241 (= R233), D265 (= D256), E270 (= E261), H290 (= H283)
binding nicotinamide-adenine-dinucleotide: S75 (≠ T72), T103 (≠ V100), G156 (= G152), G158 (= G154), R159 (≠ E155), V160 (≠ I156), Y178 (= Y174), D179 (vs. gap), P180 (vs. gap), Y181 (vs. gap), C212 (≠ A204), N218 (≠ T210), T239 (≠ L231), A240 (≠ G232), R241 (= R233), H290 (= H283), W293 (= W286)

Sites not aligning to the query:

binding nicotinamide-adenine-dinucleotide: 331

4u6sA Ctbp1 in complex with substrate phenylpyruvate (see paper)
32% identity, 87% coverage: 24:291/309 of query aligns to 12:298/328 of 4u6sA

query
sites
4u6sA

D

D

V

C

A

T

V

V

Y

E

Q

M

T

P

T

I

F

L

S

K

D

D

E

V

T

A

T

T

E

V

R

A

V

F

C

C

D

D

A

A

E

Q

V

S

I

T

V

Q

-

E

T

I

N

H

K

E

V

K

V

V

I

L

N

N

D

E

A

A

V

V

-

G

-

A

-

L

-

M

-
x
Y

-
x
H

-

T

-

I

-

T

-

L

-

T

-

R

-

E

-

D

M

L

E

E

S

K

A

F

P

K

N

A

L

L

K

R

L

I

I

I

C

V

V

R

A
x
I

A
x
G

T
x
S

G
|
G

T

F

N

D

N

N

I

I

D

D

H

I

E

K

A

S

A

A

K

G

R

D

R

L

G

G

I

I

A

A

V

V

K

C

N

N

V

V

A

P

G

A

Y

A

S
|
S

T

V

D

E

A

E

V
x
T

V

A

Q

D

H

S

T

T

F

L

S

C

M

H

L

I

F

L

Y

N

L

L

M

Y

G

R

H

R

S

A

R

T

Y

W

Y

L

D

H

E

Q

Y

A

V

L

K

R

S

E

G

G

A

T

W

R

-

V

Q

Q

R

S

E

V

A

E

V

Q

F

I

A

R

H

E

I

V

G

A

P

S

S

G

F

A

S

A

E

R

L

I

R

R

G

G

K

E

T

T

W

L

G

G

I

I

G
|
G

L

L

G
|
G

E
x
R

I
x
V

G

G

R

Q

G

A

V

V

A

A

R

L

V

R

A

A

Q

K

A

A

F

F

G

G

A

F

N

N

V

V

C

L

Y

F

Y
|
Y

-
x
D

-
x
P

-
x
Y

-

L

S

S

T

D

S

G

G

V

K

E

N

R

D

A

N

L

G

G

E

L

Y

Q

E

R

K

V

T

S

T

T

L

L

S

Q

R

D

L

L

I

L

E

F

N

H

S

S

D

D

V

C

I

V

S

T

I

L

H
|
H

A
x
C

P
x
G

L

L

N

N

A

E

S

H

T
x
N

E

H

N

H

L

L

I

I

S

N

H

D

S

F

E

T

L

V

L

K

Q

Q

M

M

K

R

D

Q

G

G

A

A

V

F

L

L

L

V

N

N

L
x
T

G
x
A

R
|
R

G

G

I

L

V

V

D

D

E

E

D

K

A

A

L

L

S

A

V

Q

I

A

I

L

D

K

V

E

K

G

P

R

I

I

F

R

-

G

V

A

G

A

L

L

D
|
D

V

V

L

H

A

E

K

S

E
|
E

P

P

M

F

K

S

T

F

S

S

H

Q

-

G

P

P

L

L

L

-

S

-

V

-

K

K

H

D

P

A

E

P

R

N

L

L

Y

I

I

C

T

T

P

P

H
|
H

I

A

A

A

W
|
W

T

Y

S

S

R

E

E

Q

A

A

active site: S99 (= S96), R241 (= R233), D265 (= D256), E270 (= E261), H290 (= H283)
binding nicotinamide-adenine-dinucleotide: T103 (≠ V100), G156 (= G152), G158 (= G154), R159 (≠ E155), V160 (≠ I156), Y178 (= Y174), D179 (vs. gap), P180 (vs. gap), Y181 (vs. gap), H211 (= H203), C212 (≠ A204), G213 (≠ P205), N218 (≠ T210), T239 (≠ L231), A240 (≠ G232), R241 (= R233), H290 (= H283), W293 (= W286)
binding 3-phenylpyruvic acid: Y51 (vs. gap), H52 (vs. gap), I73 (≠ A70), G74 (≠ A71), S75 (≠ T72), G76 (= G73), R241 (= R233), W293 (= W286)

Sites not aligning to the query:

binding 3-phenylpyruvic acid: 302

4u6qA Ctbp1 bound to inhibitor 2-(hydroxyimino)-3-phenylpropanoic acid (see paper)
32% identity, 87% coverage: 24:291/309 of query aligns to 12:298/328 of 4u6qA

query
sites
4u6qA

D

D

V

C

A

T

V

V

Y

E

Q

M

T

P

T

I

F

L

S

K

D

D

E

V

T

A

T

T

E

V

R

A

V

F

C

C

D

D

A

A

E

Q

V

S

I

T

V

Q

-

E

T

I

N

H

K

E

V

K

V

V

I

L

N

N

D

E

A

A

V

V

-

G

-

A

-

L

-

M

-
x
Y

-

H

-

T

-

I

-

T

-

L

-

T

-

R

-

E

-

D

M

L

E

E

S

K

A

F

P

K

N

A

L

L

K

R

L

I

I

I

C

V

V

R

A
x
I

A
x
G

T
x
S

G
|
G

T

F

N

D

N

N

I

I

D

D

H

I

E

K

A

S

A

A

K

G

R

D

R

L

G

G

I

I

A

A

V

V

K

C

N

N

V

V

A

P

G

A

Y

A

S
|
S

T

V

D

E

A

E

V
x
T

V

A

Q

D

H

S

T

T

F

L

S

C

M

H

L

I

F

L

Y

N

L

L

M

Y

G

R

H

R

S

A

R

T

Y

W

Y

L

D

H

E

Q

Y

A

V

L

K

R

S

E

G

G

A

T

W

R

-

V

Q

Q

R

S

E

V

A

E

V

Q

F

I

A

R

H

E

I

V

G

A

P

S

S

G

F

A

S

A

E

R

L

I

R

R

G

G

K

E

T

T

W

L

G

G

I

I

G
|
G

L

L

G

G

E
x
R

I
x
V

G

G

R

Q

G

A

V

V

A

A

R

L

V

R

A

A

Q

K

A

A

F

F

G

G

A

F

N

N

V

V

C

L

Y

F

Y
|
Y

-
x
D

-
x
P

-
x
Y

-

L

S

S

T

D

S

G

G

V

K

E

N

R

D

A

N

L

G

G

E

L

Y

Q

E

R

K

V

T

S

T

T

L

L

S

Q

R

D

L

L

I

L

E

F

N

H

S

S

D

D

V

C

I

V

S

T

I

L

H
|
H

A
x
C

P
x
G

L

L

N

N

A

E

S

H

T
x
N

E

H

N

H

L

L

I

I

S

N

H

D

S

F

E

T

L

V

L

K

Q

Q

M

M

K

R

D

Q

G

G

A

A

V

F

L

L

L

V

N

N

L
x
T

G
x
A

R
|
R

G

G

I

L

V

V

D

D

E

E

D

K

A

A

L

L

S

A

V

Q

I

A

I

L

D

K

V

E

K

G

P

R

I

I

F

R

-

G

V

A

G

A

L

L

D
|
D

V

V

L

H

A

E

K

S

E
|
E

P

P

M

F

K

S

T

F

S

S

H

Q

-

G

P

P

L

L

L

-

S

-

V

-

K

K

H

D

P

A

E

P

R

N

L

L

Y

I

I

C

T

T

P

P

H
|
H

I

A

A

A

W
|
W

T

Y

S

S

R

E

E

Q

A

A

active site: S99 (= S96), R241 (= R233), D265 (= D256), E270 (= E261), H290 (= H283)
binding (2E)-2-(hydroxyimino)-3-phenylpropanoic acid: Y51 (vs. gap), I73 (≠ A70), G74 (≠ A71), S75 (≠ T72), G76 (= G73), R241 (= R233), H290 (= H283), W293 (= W286)
binding 1,4-dihydronicotinamide adenine dinucleotide: S75 (≠ T72), T103 (≠ V100), G156 (= G152), R159 (≠ E155), V160 (≠ I156), Y178 (= Y174), D179 (vs. gap), P180 (vs. gap), Y181 (vs. gap), H211 (= H203), C212 (≠ A204), G213 (≠ P205), N218 (≠ T210), T239 (≠ L231), A240 (≠ G232), R241 (= R233), H290 (= H283), W293 (= W286)

Sites not aligning to the query:

binding (2E)-2-(hydroxyimino)-3-phenylpropanoic acid: 302

Q9Z2F5 C-terminal-binding protein 1; CtBP1; 50 kDa BFA-dependent ADP-ribosylation substrate; BARS-50; C-terminal-binding protein 3; CtBP3; EC 1.1.1.- from Rattus norvegicus (Rat) (see 3 papers)
32% identity, 87% coverage: 24:291/309 of query aligns to 26:312/430 of Q9Z2F5

query
sites
Q9Z2F5

D

D

V

C

A

T

V

V

Y

E

Q

M

T

P

T

I

F

L

S

K

D

D

E

V

T

A

T

T

E

V

R
x
A

V

F

C

C

D

D

A

A

E

Q

V

S

I

T

V

Q

-

E

T

I

N

H

K

E

V

K

V
|
V

I

L

N

N

D

E

A

A

V

V

-

G

-

A

-

L

-

M

-

Y

-

H

-

T

-

I

-

T

-

L

-

T

-

R

-

E

-

D

M

L

E

E

S

K

A

F

P

K

N

A

L

L

K

R

L

I

I

I

C

V

V

R

A

I

A

G

T
x
S

G

G

T

F

N

D

N

N

I

I

D

D

H

I

E

K

A

S

A

A

K

G

R

D

R

L

G

G

I

I

A

A

V

V

K

C

N

N

V

V

A

P

G

A

Y

A

S

S

T

V

D

E

A

E

V

T

V

A

Q

D

H

S

T

T

F

L

S

C

M

H

L

I

F

L

Y

N

L

L

M

Y

G

R

H

R

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T

R

T

Y

W

Y

L

D

H

E

Q

Y

A

V

L

K

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S

E

G

G

A

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R

-

V

Q

Q

R

S

E

V

A

E

V

Q

F

I

A

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H

E

I

V

G

A

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S

S

G

F

A

S

A

E

R

L

I

R

R

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G

K

E

T

T

W

L

G

G

I

I

I
|
I

G
|
G

L
|
L

G
|
G

E
x
R

I
x
V

G

G

R

Q

G

A

V

V

A

A

R

L

V

R

A

A

Q

K

A

A

F

F

G

G

A

F

N

N

V

V

C

L

Y

F

Y

Y

-
x
D

-

P

-

Y

-

L

S

S

T

D

S

G

G

I

K

E

N

R

D

A

N

L

G

G

E

L

Y

Q

E

R

K

V

T

S

T

T

L

L

S

Q

R

D

L

L

I

L

E

F

N

H

S

S

D

D

V

C

I

V

S

T

I

L

H

H

A
x
C

P
x
G

L
|
L

N
|
N

A
x
E

S
x
H

T
x
N

E

H

N

H

L

L

I

I

S

N

H

D

S

F

E

T

L

V

L

K

Q

Q

M

M

K

R

D

Q

G

G

A

A

V

F

L

L

L

V

N

N

L
x
T

G
x
A

R
|
R

G

G

I

L

V

V

D

D

E

E

D

K

A

A

L

L

S

A

V

Q

I

A

I

L

D

K

V

E

K

G

P

R

I

I

F

R

-

G

V

A

G

A

L

L

D
|
D

V

V

L

H

A

E

K

S

E

E

P

P

M

F

K

S

T

F

S

S

H

Q

-

G

P

P

L

L

L

-

S

-

V

-

K

K

H

D

P

A

E

P

R

N

L

L

Y

I

I

C

T

T

P

P

H

H

I

A

A

A

W

W

T

Y

S

S

R

E

E

Q

A

A

A41 (≠ R39) mutation to E: Strongly reduces interaction with E1A.
V55 (= V52) mutation to R: Strongly reduces interaction with E1A.
S89 (≠ T72) binding NAD(+)
IGLGRV 169:174 (≠ IGLGEI 151:156) binding NAD(+)
G172 (= G154) mutation to E: Loss dimerization and of NAD binding.
D193 (vs. gap) binding NAD(+)
226:232 (vs. 204:210, 29% identical) binding NAD(+)
TAR 253:255 (≠ LGR 231:233) binding NAD(+)
D279 (= D256) binding NAD(+)

Q13363 C-terminal-binding protein 1; CtBP1; EC 1.1.1.- from Homo sapiens (Human) (see 4 papers)
32% identity, 87% coverage: 24:291/309 of query aligns to 37:323/440 of Q13363

query
sites
Q13363

D

D

V

C

A

T

V

V

Y

E

Q

M

T

P

T

I

F

L

S

K

D

D

E

V

T

A

T

T

E

V

R
x
A

V

F

C

C

D

D

A

A

E

Q

V

S

I

T

V

Q

-

E

T

I

N

H

K

E

V

K

V
|
V

I

L

N

N

D

E

A

A

V

V

-

G

-

A

-

L

-

M

-

Y

-

H

-

T

-

I

-

T

-

L

-

T

-

R

-

E

-

D

M

L

E

E

S

K

A

F

P

K

N

A

L

L

K

R

L

I

I

I

C

V

V

R

A

I

A

G

T

S

G

G

T

F

N

D

N

N

I

I

D

D

H

I

E

K

A

S

A

A

K

G

R

D

R

L

G

G

I

I

A

A

V

V

K

C

N

N

V

V

A

P

G

A

Y

A

S

S

T

V

D

E

A

E

V

T

V

A

Q

D

H

S

T

T

F

L

S
x
C

M

H

L

I

F

L

Y
x
N

L

L

M

Y

G
x
R

H
x
R

S

A

R

T

Y

W

Y

L

D

H

E

Q

Y

A

V
x
L

K

R

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E

G

G

A

T

W

R

-

V

Q

Q

R

S

E

V

A

E

V

Q

F

I

A
x
R

H

E

I

V

G

A

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S

S

G

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A

S

A

E
x
R

L

I

R

R

G

G

K

E

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T

W

L

G

G

I

I

G
|
G

L

L

G
|
G

E

R

I

V

G
|
G

R

Q

G

A

V

V

A

A

R

L

V

R

A

A

Q

K

A

A

F

F

G

G

A

F

N

N

V

V

C

L

Y

F

Y

Y

-
x
D

-

P

-

Y

-

L

S

S

T

D

S

G

G

V

K

E

N

R

D

A

N

L

G

G

E

L

Y

Q

E

R

K

V

T

S

T

T

L

L

S

Q

R

D

L

L

I

L

E

F

N

H

S

S

D

D

V

C

I

V

S

T

I

L

H

H

A

C

P

G

L

L

N

N

A

E

S

H

T

N

E

H

N

H

L

L

I

I

S

N

H

D

S

F

E

T

L

V

L

K

Q

Q

M

M

K

R

D

Q

G

G

A

A

V

F

L

L

L

V

N

N

L

T

G

A

R
|
R

G

G

I

L

V

V

D

D

E

E

D

K

A

A

L

L

S

A

V

Q

I

A

I

L

D

K

V

E

K

G

P

R

I

I

F

R

-

G

V

A

G

A

L

L

D
|
D

V

V

L

H

A

E

K

S

E
|
E

P

P

M

F

K

S

T

F

S

S

H

Q

-

G

P

P

L

L

L

-

S

-

V

-

K

K

H

D

P

A

E

P

R

N

L

L

Y

I

I

C

T

T

P

P

H
|
H

I

A

A

A

W

W

T

Y

S

S

R

E

E

Q

A

A

A52 (≠ R39) mutation to E: Loss of interaction with SIMC1. No effect on its proteolytic processing mediated by CAPN3.
V66 (= V52) mutation to R: Loss of interaction with SIMC1. Reduced proteolytic processing mediated by CAPN3.
C134 (≠ S106) mutation to A: Strongly reduces E1A binding; when associated with A-138; A-141 and A-150.
N138 (≠ Y110) mutation to A: Strongly reduces E1A binding; when associated with A-134; A-141 and A-150.
R141 (≠ G113) mutation to A: Strongly reduces E1A binding; when associated with A-134; A-138 and A-150.
RR 141:142 (≠ GH 113:114) mutation to AA: Strongly reduces E1A binding; when associated with A-163 and A-171.
L150 (≠ V122) mutation to A: Strongly reduces E1A binding; when associated with A-134; A-138 and A-141.
R163 (≠ A134) mutation to A: Strongly reduces E1A binding; when associated with A-141; A-142 and A-171.
R171 (≠ E142) mutation to A: Strongly reduces E1A binding; when associated with A-141; A-142 and A-163.
G181 (= G152) mutation to V: Strongly reduces E1A binding; when associated with V-183 and A-204.
G183 (= G154) mutation to A: Reduced proteolytic processing mediated by CAPN3; when associated with A-186.; mutation to V: Strongly reduces E1A binding; when associated with V-181 and A-204.
G186 (= G157) mutation to A: Reduced proteolytic processing mediated by CAPN3; when associated with A-183.
D204 (vs. gap) mutation to A: Strongly reduces E1A binding; when associated with V-181 and V-183.; mutation to L: Reduced proteolytic processing mediated by CAPN3.
R266 (= R233) mutation to A: Strongly reduces E1A binding; when associated with A-290; A-295 and A-315.
D290 (= D256) mutation to A: Strongly reduces E1A binding; when associated with A-266; A-295 and A-315.
E295 (= E261) mutation to A: Strongly reduces E1A binding; when associated with A-266; A-290 and A-315.
H315 (= H283) mutation to A: Strongly reduces E1A binding; when associated with A-266; A-290 and A-295.

Sites not aligning to the query:

375:376 Cleavage; by CAPN1
387:388 Cleavage; by CAPN1
409:410 Cleavage; by CAPN1 and CAPN3
422 modified: Phosphoserine; by HIPK2; S→A: Abolishes phosphorylation by HIPK2 and prevents UV-induced clearance.
428 modified: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO)

3ddnB Crystal structure of hydroxypyruvic acid phosphate bound d-3- phosphoglycerate dehydrogenase in mycobacterium tuberculosis (see paper)
31% identity, 88% coverage: 34:304/309 of query aligns to 34:299/525 of 3ddnB

query
sites
3ddnB

D

D

E

K

T

L

E

A

R

A

V

V

C

P

D

E

A

A

E

D

V

A

I

L

V

L

T

V

N

R

K

S

V

A

V

T

I

T

N

V

D

D

A

A

-

E

V

V

M

L

E

A

S

A

A

A

P

P

N

K

L

L

K

K

L

I

I

V

C

A

V
x
R

A

A

A

G

T
x
V

G

G

T

L

N

D

N

N

I

V

D

D

H

V

E

D

A

A

K

T

R

A

R

R

G

G

I

V

A

L

V

V

K

V

N

N

V

A

A

P

G

T

Y

S

S
x
N

T

I

D

H

A

S

V

A

Q

E

H

H

T

A

F

L

S

A

M

L

L

L

F

L

Y

A

L

A

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S

G

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S

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Y

A

D

D

E

A

Y

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S

E

G

H

A

T

W

W

Q

K

R

R

E

S

A

S

V

F

F

-

A

-

H

-

I

-

G

-

P

-

S

S

F

G

S

T

E

E

L

I

R

F

G

G

K

K

T

T

W

V

G

G

I

V

G

G

L

L

G

G

E

R

I

I

G

G

R

Q

G

L

V

V

A

A

R

Q

V

R

A

I

Q

A

A

A

F

F

G

G

A

A

N

Y

V

V

C

V

Y

A

Y

Y

S

D

-

P

-

Y

-

V

T

S

S

P

G

A

K

R

N

A

D

A

N

Q

G

L

E

G

Y

I

E

E

K

L

T

L

T

S

L

L

S

D

R

D

L

L

I

L

E

A

N

R

S

A

D

D

V

F

I

I

S

S

I

V

H

H

A

L

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P

L

K

N

T

A

P

S

E

T

T

E

A

N

G

L

L

I

I

S

D

H

K

S

E

E

A

L

L

L

A

Q

K

M

T

K

K

D

P

G

G

A

V

V

I

L

I

L

V

N

N

L

A

G

A

R
|
R

G

G

I

L

V

V

D

D

E

E

D

A

A

A

L

L

S

A

V

D

I

A

I

I

D

T

V

G

K

G

P

H

I

V

-

R

F

A

V

A

G

G

L

L

D
|
D

V

V

L

F

A

A

K

T

E
|
E

P

P

M

C

K

-

T

T

S

D

H

S

P

P

L

L

L

F

S

E

V

L

K

A

H

Q

P

-

E

-

R

-

L

V

Y

V

I

V

T

T

P

P

H
|
H

I

L

A

G

W
x
A

T

S

S

T

R

A

E

E

A

A

R
x
Q

E

D

R

R

L

A

I

G

A

T

S

D

T

V

I

A

E

E

N

S

I

V

K

R

active site: N97 (≠ S96), R231 (= R233), D255 (= D256), E260 (= E261), H278 (= H283)
binding 2-oxo-3-(phosphonooxy)propanoic acid: R70 (≠ V69), V73 (≠ T72), N97 (≠ S96), A281 (≠ W286), Q287 (≠ R292)

2eklA Structure of st1218 protein from sulfolobus tokodaii
31% identity, 84% coverage: 45:303/309 of query aligns to 49:302/312 of 2eklA

query
sites
2eklA

V

I

I

V

V

V

T

R

N

S

K

R

V

T

V

K

I

V

N

T

D

K

A

D

V

V

M

I

E

E

S

K

A

G

P

K

N

K

L

L

K

K

L

I

I

I

C

A

V

R

A

A

A

G

T
x
I

G

G

T

L

N

D

N

N

I

I

D

D

H

T

E

E

A

E

A

A

K

E

R

K

R

R

G

N

I

I

A

K

V

V

K

V

N

Y

V

A

A

P

G

G

Y

A

S
|
S

T

T

D

D

A

S

V

A

V

V

Q

E

H

L

T

T

F

I

S

G

M

L

L

M

F

-

Y

-

L

I

M

A

G

A

H

A

S

R

R

K

Y

M

Y

Y

D

T

E

-

Y

-

V

-

K

-

S

S

G

M

A

A

W

L

Q

A

R

K

E

S

A

G

V

I

F

F

A

K

H

K

I

I

G

-

P

-

S

E

F

G

S

L

E

E

L

L

R

A

G

G

K

K

T

T

W

I

G

G

I

I

I

V

G
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G

L

F

G
|
G

E
x
R

I
|
I

G

G

R

T

G

K

V

V

A

G

R

I

V

I

A

A

Q

N

A

A

F

M

G

G

A

M

N

K

V

V

C

L

Y

A

Y
|
Y

S
x
D

T
x
I

S
x
L

G

D

K

I

N

R

D

E

N

K

G

A

E

E

Y

K

-

I

-

N

-

A

E

K

K

A

T

V

T

S

L

L

S

E

R

E

L

L

I

L

E

K

N

N

S

S

D

D

V

V

I

I

S

S

I

L

H
|
H

A
x
V

P
x
T

L

V

N

S

A

K

S

D

T

A

E

K

N

P

L
x
I

I

I

S

D

H

Y

S

P

E

Q

L

F

L

E

Q

L

M

M

K

K

D

D

G

N

A

V

V

I

L

I

L

V

N

N

L
x
T

G
x
S

R
|
R

G

A

G

V

I

A

V

V

D

N

E

G

D

K

A

A

L

L

S

L

V

D

I

Y

I

I

D

K

V

K

K

G

P

K

I

V

F

Y

V

A

-

Y

G

A

L

T

D
|
D

V

V

L

F

A

W

K

N

E
|
E

P

P

M

P

K

K

T

E

S

E

H

W

P

E

L

L

L

E

S

L

V

L

K

K

H

H

P

-

E

E

R

R

L

V

Y

I

I

V

T

T

P

T

H
|
H

I

I

A
x
G

W

A

T

Q

S

T

R

K

E

E

A

A

R

Q

E

K

R

R

L

V

I

A

A

E

S

M

T

T

I

T

E

Q

N

N

I

L

active site: S100 (= S96), R232 (= R233), D256 (= D256), E261 (= E261), H282 (= H283)
binding nicotinamide-adenine-dinucleotide: I76 (≠ T72), S100 (= S96), G148 (= G152), G150 (= G154), R151 (≠ E155), I152 (= I156), Y170 (= Y174), D171 (≠ S175), I172 (≠ T176), L173 (≠ S177), H202 (= H203), V203 (≠ A204), T204 (≠ P205), I212 (≠ L213), T230 (≠ L231), S231 (≠ G232), D256 (= D256), G284 (≠ A285)

3dc2A Crystal structure of serine bound d-3-phosphoglycerate dehydrogenase from mycobacterium tuberculosis (see paper)
31% identity, 88% coverage: 34:304/309 of query aligns to 33:298/526 of 3dc2A

query
sites
3dc2A

D

D

E

K

T

L

E

A

R

A

V

V

C

P

D

E

A

A

E

D

V

A

I

L

V

L

T

V

N

R

K

S

V

A

V

T

I

T

N

V

D

D

A

A

-

E

V

V

M

L

E

A

S

A

A

A

P

P

N

K

L

L

K

K

L

I

I

V

C

A

V

R

A

A

A

G

T

V

G

G

T

L

N

D

N

N

I

V

D

D

H

V

E

D

A

A

K

T

R

A

R

R

G

G

I

V

A

L

V

V

K

V

N

N

V

A

A

P

G

T

Y

S

S
x
N

T

I

D

H

A

S

V

A

Q

E

H

H

T

A

F

L

S

A

M

L

L

L

F

L

Y

A

L

A

M

S

G

R

H

Q

S

I

R

P

Y

A

D

D

E

A

Y

S

V

L

K

R

S

E

G

H

A

T

W

W

Q

K

R

R

E

S

A

S

V

F

F

-

A

-

H

-

I

-

G

-

P

-

S

S

F

G

S

T

E

E

L

I

R

F

G

G

K

K

T

T

W

V

G

G

I

V

G

G

L

L

G

G

E

R

I

I

G

G

R

Q

G

L

V

V

A

A

R

Q

V

R

A

I

Q

A

A

A

F

F

G

G

A

A

N

Y

V

V

C

V

Y

A

Y

Y

S

D

-

P

-

Y

-

V

T

S

S

P

G

A

K

R

N

A

D

A

N

Q

G

L

E

G

Y

I

E

E

K

L

T

L

T

S

L

L

S

D

R

D

L

L

I

L

E

A

N

R

S

A

D

D

V

F

I

I

S

S

I

V

H

H

A

L

P

P

L

K

N

T

A

P

S

E

T

T

E

A

N

G

L

L

I

I

S

D

H

K

S

E

E

A

L

L

L

A

Q

K

M

T

K

K

D

P

G

G

A

V

V

I

L

I

L

V

N

N

L

A

G

A

R
|
R

G

G

I

L

V

V

D

D

E

E

D

A

A

A

L

L

S

A

V

D

I

A

I

I

D

T

V

G

K

G

P

H

I

V

-

R

F

A

V

A

G

G

L

L

D
|
D

V

V

L

F

A

A

K

T

E
|
E

P

P

M

C

K

-

T

T

S

D

H

S

P

P

L

L

L

F

S

E

V

L

K

A

H

Q

P

-

E

-

R

-

L

V

Y

V

I

V

T

T

P

P

H
|
H

I

L

A

G

W

A

T

S

S

T

R

A

E

E

A

A

R

Q

E

D

R

R

L

A

I

G

A

T

S

D

T

V

I

A

E

E

N

S

I

V

K

R

active site: N96 (≠ S96), R230 (= R233), D254 (= D256), E259 (= E261), H277 (= H283)

Sites not aligning to the query:

binding serine: 458, 460, 461, 462, 463, 464, 465, 484

2p9eA Crystal structure of g336v mutant of e.Coli phosphoglycerate dehydrogenase (see paper)
32% identity, 91% coverage: 15:295/309 of query aligns to 19:300/406 of 2p9eA

query
sites
2p9eA

S

A

L

L

E

E

G

S

F

L

E

R

S

A

L

A

G

G

-

Y

-

T

D

N

V

I

A

E

V

F

Y

H

Q

K

T

G

T

A

F

L

S

D

D

D

E

E

T

Q

-

L

T

K

E

E

R

S

V

I

C

R

D

D

A

A

E

H

V

F

I

I

-

G

V

L

T

R

N

S

K

R

V

T

V

H

I

L

N

T

D

E

A

D

V

V

M

I

E

N

S

A

A

A

P

E

N

K

L

L

K

V

L

A

I

I

C

G

V

A

A

F

A

A

T

I

G

G

T

T

N

N

N

Q

I

V

D

D

H

L

E

D

A

A

K

A

R

K

R

R

G

G

I

I

A

P

V

V

K

F

N

N

V

A

A

P

G

F

Y

S

S
x
N

T

T

D

R

A

S

V

V

V

A

Q

E

H

L

T

V

F

I

S

G

M

E

L

L

F

L

Y

L

L

L

M

L

G

R

H

G

S

V

R

P

Y

E

Y

A

D

N

E

A

Y

K

V

A

K

H

S

R

G

G

A

V

W

W

Q

N

R

K

E

L

A

A

V

A

F

-

A

-

H

-

I

-

G

-

P

G

S

S

F

F

S

-

E

E

L

A

R

R

G

G

K

K

T

K

W

L

G

G

I

I

G

G

L

Y

G
|
G

E
x
H

I
|
I

G

G

R

T

G

Q

V

L

A

G

R

I

V

L

A

A

Q

E

A

S

F

L

G

G

A

M

N

Y

V

V

C

Y

Y

F

Y
|
Y

S
x
D

T
x
I

S

E

G

N

K

K

N

L

D

P

N

L

G

G

E

N

Y

A

E

T

K

Q

T

V

T

Q

-

H

L

L

S

S

R

D

L

L

I

L

E

N

N

M

S

S

D

D

V

V

I

V

S

S

I

L

H
|
H

A
x
V

P
|
P

L

E

N

N

A

P

S
|
S

T

T

E

K

N

N

L

M

I

M

S

G

H

A

S

K

E

E

L

I

L

S

Q

L

M

M

K

K

D

P

G

G

A

S

V

L

L

L

L

I

N

N

L
x
A

G
x
S

R
|
R

G

G

G

T

I

V

V

V

D

D

E

I

D

P

A

A

L

L

S

A

V

D

I

A

I

L

D

A

V

S

K

K

P

H

I

L

F

A

-

G

V

A

G

A

L

I

D
|
D

V

V

L

F

A

P

K

T

E
|
E

P

P

M

A

K

T

T

N

S

S

H

D

P

P

L

F

L

T

S

S

-

P

V

L

K

A

H

E

P

F

E

D

R

N

L

V

Y

L

I

L

T

T

P

P

H
|
H

I

I

A
x
G

W

G

T

S

S

T

R

Q

E

E

A

A

R

Q

E

E

R

N

L

I

active site: N104 (≠ S96), R236 (= R233), D260 (= D256), E265 (= E261), H288 (= H283)
binding 1,4-dihydronicotinamide adenine dinucleotide: G156 (= G154), H157 (≠ E155), I158 (= I156), Y176 (= Y174), D177 (≠ S175), I178 (≠ T176), H206 (= H203), V207 (≠ A204), P208 (= P205), S212 (= S209), A234 (≠ L231), S235 (≠ G232), R236 (= R233), H288 (= H283), G290 (≠ A285)

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)
31% identity, 86% coverage: 29:294/309 of query aligns to 34:294/533 of O43175

query
sites
O43175

Q

Q

T

N

T

L

F

S

S

K

D

E

E

E

T

L

T

I

E

A

R

E

V

L

C

Q

D

D

A

C

E

E

-

G

V

L

I

I

V

V

T

R

N

S

K

A

V

T

V

K

I

V

N

T

D

A

A

D

V

V

M

I

E

N

S

A

A

A

P

E

N

K

L

L

K

Q

L

V

I

V

C

G

V

R

A

A

A

G

T
|
T

G

G

T

V

N

D

N

N

I

V

D

D

H

L

E

E

A

A

K

T

R

R

R

K

G

G

I

I

A

L

V

V

K

M

N

N

V

T

A

P

G

N

Y

G

S

N

T

S

D

L

A

S

V

A

Q

E

H

L

T

T

F

C

S

G

M

M

L

I

F

M

Y

C

L

L

M

A

G

R

H

Q

S

I

R

P

Y

Q

Y

A

D

T

E

A

Y

S

V

M

K

K

S

D

G

G

A

K

W

W

Q

E

R
|
R

E

K

A

K

V

F

F

M

A

G

H

-

I

-

G

-

P

-

S

-

F

-

S

T

E

E

L

L

R

N

G

G

K

K

T

T

W

L

G

G

I

I

I

L

G

G

L

L

G

G

E
x
R

I
|
I

G

G

R

R

G

E

V

V

A

A

R

T

V

R

A

M

Q

Q

A

S

F

F

G

G

A

M

N

K

V

T

C

I

Y

G

Y

Y

S
x
D

-

P

-

I

T

S

S

P

G

E

K

V

N

S

D

A

N

S

G

F

E

G

Y

V

E

Q

K

Q

T

L

T

P

L

L

S

E

R

E

L

I

I

W

E

P

N

L

S

C

D

D

V

F

I

I

S

T

I

V

H

H

A
x
T

P

P

L

L

N

L

A

P

S

S

T

T

E

T

N

G

L

L

I

L

S

N

H

D

S

N

E

T

L

F

L

A

Q

Q

M

C

K

K

D

K

G

G

A

V

V

R

L

V

N

N

L
x
C

G
x
A

R
|
R

G

G

I

I

V

V

D

D

E

E

D

G

A

A

-

L

L

L

S

R

V

A

I

L

I

Q

D

S

V

G

K

Q

P

C

I

A

F

G

V

A

G

A

L

L

D
|
D

V
|
V

L

F

A

T

K

E

E

E

P

P

M

P

K

R

T

D

S

R

H

A

P

-

L

-

S

L

V

V

K

D

H

H

P

-

E

E

R

N

L

V

Y

I

I

S

T

C

P

P

H
|
H

I
x
L

A
x
G

W
x
A

T

S

S

T

R

K

E

E

A

A

R

Q

E

S

R

R

T78 (= T72) binding NAD(+)
R135 (= R129) 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 (≠ EI 155:156) binding NAD(+)
D175 (≠ S175) binding NAD(+)
T207 (≠ A204) binding NAD(+)
CAR 234:236 (≠ LGR 231:233) binding NAD(+)
D260 (= D256) binding NAD(+)
V261 (= V257) 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 (≠ HIAW 283:286) binding NAD(+)

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

6rj2A Crystal structure of phgdh in complex with compound 40 (see paper)
31% identity, 86% coverage: 29:294/309 of query aligns to 26:286/299 of 6rj2A

query
sites
6rj2A

Q

Q

T

N

T

L

F

S

S

K

D

E

E

E

T

L

T

I

E

A

R

E

V

L

C

Q

D

D

A

C

E

E

-

G

V

L

I

I

V

V

T

R

N

S

K

A

V

T

V

K

I

V

N

T

D

A

A

D

V

V

M

I

E

N

S

A

A

A

P

E

N

K

L

L

K

Q

L

V

I

V

C

G

V

R

A

A

A

G

T

T

G

G

T

V

N

D

N

N

I

V

D

D

H

L

E

E

A

A

K

T

R

R

R

K

G

G

I

I

A

L

V

V

K

M

N

N

V

T

A

P

G

N

Y

G

S

N

T

S

D

L

A

S

V

A

Q

E

H

L

T

T

F

C

S

G

M

M

L

I

F

M

Y

C

L

L

M

A

G

R

H

Q

S

I

R

P

Y

Q

Y

A

D

T

E

A

Y

S

V

M

K

K

S

D

G

G

A

K

W

W

Q

E

R

R

E

K

A

K

V

F

F

M

A

G

H

-

I

-

G

-

P

-

S

-

F

-

S

T

E

E

L

L

R

N

G

G

K

K

T

T

W

L

G

G

I

I

I

L

G

G

L

L

G
|
G

E

R

I
|
I

G

G

R

R

G

E

V

V

A

A

R

T

V

R

A

M

Q

Q

A

S

F

F

G

G

A

M

N

K

V

T

C

I

Y

G

Y
|
Y

S
x
D

-
x
P

-
x
I

T

S

S

P

G

E

K

V

N

S

D

A

N

S

G

F

E

G

Y

V

E

Q

K

Q

T

L

T

P

L

L

S

E

R

E

L

I

I

W

E

P

N

L

S

C

D

D

V

F

I

I

S

T

I

V

H
|
H

A
x
T

P

P

L

L

N

L

A

P

S

S

T

T

E

T

N

G

L
|
L

I

L

S

N

H

D

S

N

E

T

L

F

L

A

Q

Q

M

C

K

K

D

K

G

G

A

V

V

R

L

V

N

N

L

C

G

A

R
|
R

G

G

I

I

V

V

D

D

E

E

D

G

A

A

-

L

L

L

S

R

V

A

I

L

I

Q

D

S

V

G

K

Q

P

C

I

A

F

G

V

A

G

A

L

L

D

D

V

V

L

F

A

T

K

E

E

E

P

P

M

P

K

R

T

D

S

R

H

A

P

-

L

-

S

L

V

V

K

D

H

H

P

-

E

E

R

N

L

V

Y

I

I

S

T

C

P

P

H

H

I

L

A

G

W

A

T

S

S

T

R

K

E

E

A

A

R

Q

E

S

R

R

binding ~{N}-[(1~{R})-1-[4-(ethanoylsulfamoyl)phenyl]ethyl]-2-methyl-5-phenyl-pyrazole-3-carboxamide: G146 (= G154), I148 (= I156), Y166 (= Y174), D167 (≠ S175), P168 (vs. gap), I169 (vs. gap), I170 (vs. gap), H198 (= H203), T199 (≠ A204), L208 (= L213), R228 (= R233)

Query Sequence

>WP_013458940.1 NCBI__GCF_000183725.1:WP_013458940.1
MKIVILDALTYSDTSLEGFESLGDVAVYQTTFSDETTERVCDAEVIVTNKVVINDAVMES
APNLKLICVAATGTNNIDHEAAKRRGIAVKNVAGYSTDAVVQHTFSMLFYLMGHSRYYDE
YVKSGAWQREAVFAHIGPSFSELRGKTWGIIGLGEIGRGVARVAQAFGANVCYYSTSGKN
DNGEYEKTTLSRLIENSDVISIHAPLNASTENLISHSELLQMKDGAVLLNLGRGGIVDED
ALSVIIDVKPIFVGLDVLAKEPMKTSHPLLSVKHPERLYITPHIAWTSREARERLIASTI
ENIKTFVKA

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