SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing GFF931 FitnessBrowser__Marino:GFF931 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)

Q9I5I6 NAD-dependent L-serine dehydrogenase; L-serine 3-dehydrogenase (NAD(+)); EC 1.1.1.387 from Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1) (see paper)
60% identity, 100% coverage: 1:294/295 of query aligns to 1:294/298 of Q9I5I6

query
sites
Q9I5I6

M

M

A
x
K

K
x
Q

I
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I

T
x
A

F
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F

I
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I

G
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G

L
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L

G
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G

N
x
H

M
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M

G
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G

G
x
A

P
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P

M
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M

A
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A

G
x
T

N
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N

L
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L

V
x
L

K
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K

A
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A

G
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G

H
x
Y

E
x
L

V
x
L

T
x
N

V
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V

F
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F

D
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D

L

L

S

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K

Q

D

S

A

A

V

V

A

D

A

G

L

L

V

V

S

A

E

A

G

G

A

A

K

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T

A

A

A

G

R

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S

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A

H

R

E

D

A

A

A

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Q

G

G

A

A

E

D

C

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V

V

I

I

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S

M

M

L

L

P
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P

A

A

G

S

Q

Q

H

H

V

V

E

E

A

G

V

L

Y

Y

L

L

G

D

D

D

G

G

L

L

A

A

K

H

L

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P

A

A

P

G

G

T

T

L

L

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V

I

L

D

E

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S

S

T
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T

I

I

A

A

P

P

E

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S

A

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R

G

K

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A

H

E

A

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A

A

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E

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R

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G

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L

P

A

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M

L

L

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D

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A

P

P

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S

G

G

V

T

G

A

G

G

A

A

K

A

A

A

G

G

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T

L

L

T

T

F

F

I

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C

V

G

G

S

D

E

A

E

E

A

A

F

L

N

E

K

K

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A

K

R

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P

I

L

L

F

D

E

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A

M

M

G

G

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R

N

N

I

I

F

F

H

H

A

A

G

G

D

P

H

D

G

G

S

A

G

G

Q

Q

V

V

A

A

K
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K

I

V

C

C

N

N

N
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N

M

Q

L

L

A

A

I

V

L

L

M

M

S

I

G

G

T

T

S

A

E

E

A

A

L

M

A

A

L

L

G

G

V

V

K

A

N

N

G

G

L

L

D

E

P

A

A

K

V

V

L

L

S

A

E

E

I

I

M

M

K

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Q

R

S

S

G

G

N

N

W
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W

A

A

L

L

N

E

V

V

Y
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Y

N

N

P

P

W

W

P

P

G

G

V

V

M

M

E

E

G

N

V

A

P

P

A

A

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S

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R

N

D

Y

Y

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G

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F

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M

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L

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M

T

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K

D
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D

L

L

G

G

L

L

A

A

F

Q

D

E

N

A

A

A

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Q

K

A

N

S

Q

A

A

S

S

S

I

T

P

P

M

M

G

G

S

S

L

L

A

A

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L

N

S

L

L

F

Y

Q

R

L

L

H

L

A

L

G

K

Q

Q

G

G

N

Y

G

A

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E

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Y

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P

2:31 (vs. 2:31, 63% identical) binding NAD(+)
P66 (= P66) binding NAD(+)
T96 (= T96) binding NAD(+); mutation to A: Almost abolished activity.
S122 (= S122) mutation to A: Strongly reduced activity.
K171 (= K171) active site
N175 (= N175) mutation to A: Strongly reduced activity.
W214 (= W214) mutation to A: Almost abolished activity.
Y219 (= Y219) mutation to A: Strongly reduced activity.
K246 (= K246) binding NAD(+); mutation to A: Almost abolished activity.
D247 (= D247) mutation to A: Almost abolished activity.

3obbA Crystal structure of a possible 3-hydroxyisobutyrate dehydrogenase from pseudomonas aeruginosa pao1 (see paper)
60% identity, 100% coverage: 1:294/295 of query aligns to 1:293/295 of 3obbA

query
sites
3obbA

M

M

A

K

K

Q

I

I

T

A

F

F

I

I

G

G

L

L

G

G

N

H

M

M

G

G

G

A

P

P

M

M

A

A

G

T

N

N

L

L

V

L

K

K

A

A

G

G

H

Y

E

L

V

L

T

N

V

V

F

F

D

D

L

L

S

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K

Q

D

S

A

A

V

V

A

D

A

G

L

L

V

V

S

A

E

A

G

G

A

A

K

S

T

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A

A

G

R

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S

A

A

H

R

E

D

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A

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Q

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G

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M

M

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L

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P

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Q

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H

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E

E

A

G

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Y

Y

L

L

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D

D

D

G

G

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L

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K

H

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-

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M

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A

A

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P

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S

G
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G

V

T

G

A

G

G

A

A

K

A

A

A

G

G

T

T

L

L

T

T

F

F

I

M

C

V

G

G

S

D

E

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E

E

A

A

F

L

N

E

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A

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K

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P

I

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L

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E

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A

M

M

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G

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R

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N

I

I

F

F

H

H

A

A

G

G

D

P

H

D

G

G

S

A

G

G

Q

Q

V

V

A

A

K
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K

I

V

C

C

N

N

N
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N

M

Q

L

L

A

A

I

V

L

L

M

M

S

I

G

G

T

T

S

A

E

E

A

A

L

M

A

A

L

L

G

G

V

V

K

A

N

N

G

G

L

L

D

E

P

A

A

K

V

V

L

L

S

A

E

E

I

I

M

M

K

R

Q

R

S

S

G

G

N

N

W
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W

A

A

L

L

N

E

V

V

Y
|
Y

N

N

P

P

W

W

P

P

G

G

V

V

M

M

E

E

G

N

V

A

P

P

A

A

S

S

R

R

N

D

Y

Y

E

S

G

G

F
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F

L

M

V

A

N

Q

L

L

M

M

T

A

K

K

D

D

L

L

G

G

L

L

A

A

F

Q

D

E

N

A

A

A

V

Q

K

A

N

S

Q

A

A

S

S

S

I

T

P

P

M

M

G

G

S

S

L

L

A

A

R

L

N

S

L

L

F

Y

Q

R

L

L

H

L

A

L

G

K

Q

Q

G

G

N

Y

G

A

S

E

L

R

D

D

F

F

S

S

S

V

I

V

Q

Q

R

K

L

L

Y

F

K

D

P

P

binding 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid: G122 (= G123), G123 (= G124), K170 (= K171), N174 (= N175), W213 (= W214), Y218 (= Y219), F238 (= F239)

3q3cA Crystal structure of a serine dehydrogenase from pseudomonas aeruginosa pao1 in complex with NAD (see paper)
60% identity, 99% coverage: 3:294/295 of query aligns to 2:292/294 of 3q3cA

query
sites
3q3cA

K

Q

I

I

T

A

F

F

I

I

G

G

L

L

G
|
G

N
x
H

M
|
M

G

G

G

A

P

P

M

M

A

A

G

T

N

N

L

L

V

L

K

K

A

A

G

G

H

Y

E

L

V

L

T

N

V

V

F
|
F

D
|
D

L
|
L

S

V

K

Q

D

S

A

A

V

V

A

D

A

G

L

L

V

V

S

A

E

A

G

G

A

A

K

S

T

A

A

A

G

R

T

S

A

A

H

R

E

D

A

A

A

V

S

Q

G

G

A

A

E

D

C

V

V

V

I

I

T

S

M
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M

L
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L

P
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P

A

A

G

S

Q

Q

H

H

V

V

E

E

A

G

V

L

Y

Y

L

L

G

-

D

D

G

G

L

L

A

A

K

H

L

I

P

A

A

P

G

G

T

T

L

L

V

V

I

L

D

E

S

C

S

S

T
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T

I

I

A

A

P

P

E

T

T

S

A

A

R

R

G

K

V

I

A

H

E

A

V

A

A

A

R

R

A

E

K

R

D

G

I

L

P

A

F

M

L

L

D

D

A

A

P

P

V
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V

S

S

G
|
G

G

G

V

T

G

A

G

G

A

A

K

A

A

A

G

G

T

T

L

L

T

T

F

F

I

M

C

V

G

G

S

D

E

A

E

E

A

A

F

L

N

E

K

K

A

A

K

R

P

P

I

L

L

F

D

E

T

A

M

M

G

G

K

R

N

N

I

I

F

F

H

H

A

A

G

G

D

P

H

D

G

G

S

A

G

G

Q

Q

V

V

A

A

K

K

I

V

C

C

N

N

M

Q

L

L

A

A

I

V

L

L

M

M

S

I

G

G

T

T

S

A

E

E

A

A

L

M

A

A

L

L

G

G

V

V

K

A

N

N

G

G

L

L

D

E

P

A

A

K

V

V

L

L

S

A

E

E

I

I

M

M

K

R

Q

R

S

S

G

G

N

N

W

W

A

A

L

L

N

E

V

V

Y

Y

N

N

P

P

W

W

P

P

G

G

V

V

M

M

E

E

G

N

V

A

P

P

A

A

S

S

R

R

N

D

Y

Y

E

S

G

G

F
|
F

L

M

V

A

N

Q

L

L

M

M

T

A

K
|
K

D

D

L

L

G

G

L

L

A

A

F

Q

D

E

N

A

A

A

V

Q

K

A

N

S

Q

A

A

S

S

S

I

T

P

P

M

M

G

G

S

S

L

L

A

A

R

L

N

S

L

L

F

Y

Q

R

L

L

H

L

A

L

G

K

Q

Q

G

G

N

Y

G

A

S

E

L

R

D

D

F

F

S

S

S

V

I

V

Q

Q

R

K

L

L

Y

F

K

D

P

P

binding nicotinamide-adenine-dinucleotide: G9 (= G10), H10 (≠ N11), M11 (= M12), F29 (= F30), D30 (= D31), L31 (= L32), M63 (= M64), L64 (= L65), P65 (= P66), T94 (= T96), V119 (= V121), G121 (= G123), F237 (= F239), K244 (= K246)

P29266 3-hydroxyisobutyrate dehydrogenase, mitochondrial; HIBADH; EC 1.1.1.31 from Rattus norvegicus (Rat) (see paper)
46% identity, 99% coverage: 4:295/295 of query aligns to 41:332/335 of P29266

query
sites
P29266

I

V

T

G

F

F

I

I

G

G

L

L

G

G

N

N

M

M

G

G

G

N

P

P

M

M

A

A

G

K

N

N

L

L

V

I

K

K

A

H

G

G

H

Y

E

P

V

L

T

I

V

L

F

Y

D
|
D

L

V

S

F

K

P

D

D

A

V

V

C

A

K

A

E

L

F

V

K

S

E

E

A

G

G

A

E

K

Q

T

V

A

A

G

S

T

S

A

P

H

A

E

D

A

V

A

A

S

E

G

K

A

A

E

D

C

R

V

I

I

I

T

T

M

M

L

L

P

P

A

S

G

S

Q

M

H

N

V

S

E

I

A

E

V

V

Y

Y

L

S

G

G

D

A

D

N

G

G

L

I

L

L

A

K

K

K

L

V

P

K

A

K

G

G

T

S

L

L

V

L

I

I

D

D

S

S

T

T

I

I

A

D

P

P

E

S

T

V

A

S

R

K

G

E

V

L

A

A

E

K

V

E

A

V

R

E

A

K

K

M

D

G

I

A

P

V

F

F

L

M

D

D

A

A

P

P

V

V

S

S

G

G

V

V

G

G

G

A

A

A

K

R

A

S

G

G

T

N

L

L

T

T

F

F

I

M

C

V

G

G

S

V

E

E

E

N

A

E

F

F

N

A

K

A

A

A

K

Q

P

E

I

L

L

L

D

G

T

C

M

M

G

G

K

S

N

N

I

V

F

L

H

Y

A

C

G

G

D

A

H

V

G

G

S

S

G

G

Q

Q

V

S

A

A

K
|
K

I

I

C

C

N

N

N
|
N

M

M

L

L

A

A

I

I

L

S

M

M

S

I

G

G

T

T

S

A

E

E

A

A

L

M

A

N

L

L

G

G

V

I

K

R

N

S

G

G

L

L

D

D

P

P

A

K

V

L

L

L

S

A

E

K

I

I

M

L

K

N

Q

M

S

S

G

G

G

R

N

C

W

W

A

S

L

S

N

D

V

T

Y

Y

N

N

P

P

W

V

P

P

G

G

V

V

M

M

E

D

G

G

V

V

P

P

A

S

S

S

R

N

N

N

Y

Y

E

Q

G

G

F

F

L

G

V

T

N

T

L

L

M

M

T

A

K

K

D

D

L

L

G

G

L

L

A

A

F

Q

D

D

N

S

A

A

V

T

K

S

N

T

Q

K

A

T

S

P

I

I

P

L

M

L

G

G

S

S

L

V

A

A

R

H

N

Q

L

I

F

Y

Q

R

L

M

H

M

A

C

G

S

Q

K

G

G

N

Y

G

S

S

K

L

K

D

D

F

F

S

S

I

V

Q

F

R

Q

L

Y

Y

L

K

R

P

E

E

E

D68 (= D31) mutation to R: Decrease of activity with NAD, increase of activity with NADP.
K208 (= K171) mutation K->A,H,N,R: Complete loss of activity.
N212 (= N175) mutation to Q: Decrease in activity.

P31937 3-hydroxyisobutyrate dehydrogenase, mitochondrial; HIBADH; EC 1.1.1.31 from Homo sapiens (Human) (see paper)
46% identity, 99% coverage: 4:295/295 of query aligns to 42:333/336 of P31937

query
sites
P31937

I
x
V

T
x
G

F
|
F

I
|
I

G
|
G

L
|
L

G
|
G

N
|
N

M
|
M

G
|
G

G
x
N

P
|
P

M
|
M

A
|
A

G
x
K

N
|
N

L
|
L

V
x
M

K
|
K

A
x
H

G
|
G

H
x
Y

E
x
P

V
x
L

T
x
I

V
x
I

F
x
Y

D

D

L

V

S

F

K

P

D

D

A

A

V

C

A

K

A

E

L

F

V

Q

S

D

E

A

G

G

A

E

K

Q

T

V

A

V

G

S

T

S

A

P

H

A

E

D

A

V

A

A

S

E

G

K

A

A

E

D

C

R

V

I

I

I

T

T

M

M

L
|
L

P
|
P

A

T

G

S

Q

I

H
x
N

V

A

E

I

A

E

V

A

Y

Y

L

S

G

G

D

A

D

N

G

G

L

I

L

L

A

K

K

K

L

V

P

K

A

K

G

G

T

S

L

L

V

L

I

I

D

D

S

S

T
|
T

I

I

A

D

P

P

E

A

T

V

A

S

R

K

G

E

V

L

A

A

E

K

V

E

A

V

R

E

A

K

K

M

D

G

I

A

P

V

F

F

L

M

D

D

A

A

P

P

V

V

S

S

G

G

V

V

G

G

G

A

A

A

K

R

A

S

G

G

T

N

L

L

T

T

F

F

I

M

C

V

G

G

S

V

E

E

E

D

A

E

F

F

N

A

K

A

A

A

K

Q

P

E

I

L

L

L

D

G

T

C

M

M

G

G

K

S

N

N

I

V

F

V

H

Y

A

C

G

G

D

A

H

V

G

G

S

T

G

G

Q

Q

V

A

A

A

K

K

I

I

C

C

N

N

M

M

L

L

A

A

I

I

L

S

M

M

S

I

G

G

T

T

S

A

E

E

A

A

L

M

A

N

L

L

G

G

V

I

K

R

N

L

G

G

L

L

D

D

P

P

A

K

V

L

L

L

S

A

E

K

I

I

M

L

K

N

Q

M

S

S

G

G

G

R

N

C

W

W

A

S

L

S

N

D

V

T

Y

Y

N

N

P

P

W

V

P

P

G

G

V

V

M

M

E

D

G

G

V

V

P

P

A

S

S

A

R

N

N

N

Y

Y

E

Q

G

G

F

F

L

G

V

T

N

T

L

L

M

M

T

A

K
|
K

D

D

L

L

G

G

L

L

A

A

F

Q

D

D

N

S

A

A

V

T

K

S

N

T

Q

K

A

S

S

P

I

I

P

L

M

L

G

G

S

S

L

L

A

A

R

H

N

Q

L

I

F

Y

Q

R

L

M

H

M

A

C

G

A

Q

K

G

G

N

Y

G

S

S

K

L

K

D

D

F

F

S

S

I

V

Q

F

R

Q

L

F

Y

L

K

R

P

E

E

E

LP 103:104 (= LP 65:66) binding NAD(+)
N108 (≠ H70) binding NAD(+)
T134 (= T96) binding NAD(+)
K284 (= K246) binding NAD(+)

Sites not aligning to the query:

1:36 modified: transit peptide, Mitochondrion
40:68 binding NAD(+)

2i9pB Crystal structure of human hydroxyisobutyrate dehydrogenase complexed with NAD+
46% identity, 99% coverage: 4:295/295 of query aligns to 3:294/296 of 2i9pB

query
sites
2i9pB

I

V

T

G

F

F

I

I

G

G

L

L

G
|
G

N
|
N

M
|
M

G

G

G

N

P

P

M

M

A

A

G

K

N

N

L

L

V

M

K

K

A

H

G

G

H

Y

E

P

V

L

T

I

V

I

F
x
Y

D
|
D

L
x
V

S

F

K

P

D

D

A

A

V

C

A

K

A

E

L

F

V

Q

S

D

E

A

G

G

A

E

K

Q

T

V

A

V

G

S

T

S

A

P

H

A

E

D

A

V

A

A

S

E

G

K

A

A

E

D

C

R

V

I

I

I

T

T

M
|
M

L
|
L

P
|
P

A

T

G

S

Q

I

H

N

V

A

E

I

A

E

V

A

Y

Y

L

S

G

G

D

A

D

N

G

G

L

I

L

L

A

K

K

K

L

V

P

K

A

K

G

G

T

S

L

L

V

L

I

I

D

D

S

S

T
|
T

I

I

A

D

P

P

E

A

T

V

A

S

R

K

G

E

V

L

A

A

E

K

V

E

A

V

R

E

A

K

K

M

D

G

I

A

P

V

F

F

L

M

D

D

A

A

P

P

V
|
V

S

S

G
|
G

G

G

V

V

G

G

G

A

A

A

K

R

A

S

G

G

T

N

L

L

T

T

F

F

I

M

C

V

G

G

S

V

E

E

E

D

A

E

F

F

N

A

K

A

A

A

K

Q

P

E

I

L

L

L

D

G

T

C

M

M

G

G

K

S

N

N

I

V

F

V

H

Y

A

C

G

G

D

A

H

V

G

G

S

T

G

G

Q

Q

V

A

A

A

K

K

I

I

C

C

N

N

M

M

L

L

A

A

I

I

L

S

M

M

S

I

G

G

T

T

S

A

E

E

A

A

L

M

A

N

L

L

G

G

V

I

K

R

N

L

G

G

L

L

D

D

P

P

A

K

V

L

L

L

S

A

E

K

I

I

M

L

K

N

Q

M

S

S

G

G

G

R

N

C

W

W

A

S

L

S

N

D

V

T

Y

Y

N

N

P

P

W

V

P

P

G

G

V

V

M

M

E

D

G

G

V

V

P

P

A

S

S

A

R

N

N

N

Y

Y

E

Q

G

G

F
|
F

L

G

V

T

N

T

L

L

M

M

T

A

K
|
K

D

D

L

L

G

G

L

L

A

A

F

Q

D

D

N

S

A

A

V

T

K

S

N

T

Q

K

A

S

S

P

I

I

P

L

M

L

G

G

S

S

L

L

A

A

R

H

N

Q

L

I

F

Y

Q

R

L

M

H

M

A

C

G

A

Q

K

G

G

N

Y

G

S

S

K

L

K

D

D

F

F

S

S

I

V

Q

F

R

Q

L

F

Y

L

K

R

P

E

E

E

binding nicotinamide-adenine-dinucleotide: G9 (= G10), N10 (= N11), M11 (= M12), Y29 (≠ F30), D30 (= D31), V31 (≠ L32), M63 (= M64), L64 (= L65), P65 (= P66), T95 (= T96), V120 (= V121), G122 (= G123), F238 (= F239), K245 (= K246)

5je8B The crystal structure of bacillus cereus 3-hydroxyisobutyrate dehydrogenase in complex with NAD (see paper)
38% identity, 98% coverage: 1:290/295 of query aligns to 3:287/294 of 5je8B

query
sites
5je8B

M

M

A

K

K

K

I

I

T

G

F

F

I

I

G

G

L

L

G
|
G

N
|
N

M
|
M

G

G

G

L

P

P

M

M

A

S

G

K

N

N

L

L

V

V

K

K

A

S

G

G

H

Y

E

T

V

V

T

Y

V

G

F

V

D
|
D

L
|
L

S

N

K

K

D

E

A

A

V

E

A

A

A

S

L

F

V

E

S

K

E

E

G

G

A

G

K

I

T

I

A

G

G

L

T

S

A

I

H

S

E

K

A

L

A

A

S

E

G

T

A

C

E

D

C

V

V

V

I

F

T

T

M

S

L
|
L

P
|
P

A

S

G

P

Q

R

H

A

V

V

E

E

A

A

V
|
V

Y

Y

L

F

G

G

D

A

D

E

G

G

L

L

L

F

A

E

K

N

L

G

P

H

A

S

G

N

T

V

L

V

V

F

I

I

D

D

S

T

S
|
S

T

T

I

V

A

S

P

P

E

Q

T

L

A

N

R

K

G

Q

V

L

A

E

E

E

V

A

A

A

R

K

A

E

K

K

D

K

I

V

P

D

F

F

L

L

D

A

A

A

P

P

V
|
V

S

S

G

G

V

V

G

I

G

G

A

A

K

E

A

N

G

R

T

T

L

L

T

T

F

F

I

M

C

V

G

G

S

S

E

K

E

D

A

V

F

Y

N

E

K

K

A

T

K

E

P

S

I

I

L

M

D

G

T

V

M

L

G

G

K

A

N

N

I

I

F

F

H

H

A

V

G

S

D

E

H

Q

-

I

G

D

S

S

G

G

Q

T

V

T

A

V

K

K

I

L

C

I

N

N

M

L

L

L

L

I

A

G

I

F

L

Y

M

T

S

A

G

G

T

V

S

S

E

E

A

A

L

L

A

T

L

L

G

A

V

K

K

K

N

N

G

N

L

M

D

D

P

L

A

D

V

K

L

M

S

F

E

D

I

I

M

L

K

N

Q

V

S

S

S

Y

G

G

G

Q

N

S

W

R

A

I

L

-

N

-

V

-

Y

-

N

-

P

-

W

Y

P

E

G

R

V

N

M

Y

E

K

G

S

V

F

P

I

A

A

S

P

R

E

N

N

Y

Y

E

E

G

P

G

G

F

F

L

T

V

V

N

N

L

L

M

L

T

K

K

K

D

D

L

L

G

G

L

F

A

A

F

V

D

D

N

L

A

A

V

K

K

E

N

S

Q

E

A

L

S

H

I

L

P

P

M

V

G

S

S

E

L

M

A

L

R

L

N

N

L

V

F

Y

Q

D

L

E

H

A

A

S

G

Q

Q

A

G

G

N

Y

G

G

S

E

L

N

D

D

F

M

S

A

I

L

Q

Y

R

K

binding nicotinamide-adenine-dinucleotide: G12 (= G10), N13 (= N11), M14 (= M12), D33 (= D31), L34 (= L32), L67 (= L65), P68 (= P66), V76 (= V74), S97 (= S95), V123 (= V121)

5y8lB Mycobacterium tuberculosis 3-hydroxyisobutyrate dehydrogenase (mthibadh) + NAD +(s)-3-hydroxyisobutyrate (s-hiba) (see paper)
43% identity, 98% coverage: 1:288/295 of query aligns to 1:284/290 of 5y8lB

query
sites
5y8lB

M

M

A

T

K

T

I

I

T

A

F

F

I

L

G
|
G

L

L

G
|
G

N
|
N

M
|
M

G

G

G

A

P

P

M

M

A

S

G

A

N

N

L

L

V

V

K

G

A

A

G

G

H

H

E

V

V

V

T

R

V

G

F
|
F

D
|
D

L
x
P

S

A

K

P

D

T

A

A

V

A

A

S

A

G

L

A

V

A

S

A

E

H

G

G

A

V

K

A

T

V

A

F

G

R

T

S

A

A

H

P

E

E

A

A

A

V

S

A

G

E

A

A

E

D

C

V

V

V

I

I

T

T

M
|
M

L
|
L

P

P

A

T

G

G

Q

E

H

V

V

V

E

R

A

R

V

C

Y

Y

L

-

G

-

D

T

D

D

G

V

L

L

L

A

A

A

K

A

L

R

P

P

A

A

G

-

T

T

L

L

V

F

I

I

D

D

S

S

T
|
T

I

I

A

S

P

V

E

T

T

D

A

A

R

R

G

E

V

V

A

H

E

A

V

L

A

A

R

E

A

S

K

H

D

G

I

M

P

L

F

Q

L

L

D

D

A

A

P

P

V

V

S
|
S

G
|
G

V

V

G

K

G

G

A

A

K

A

A

A

G

A

T
|
T

L

L

T

A

F

F

I

M

C

V

G

G

S

D

E

E

E

S

A

T

F

L

N

R

K

R

A

A

K

R

P

P

I

V

L

L

D
x
E

T

P

M

M

G
x
A

K
x
G

N
x
K

I

I

F

I

H

H

A

C

G

G

D

A

H

A

G

G

S

A

G

G

Q

Q

V

A

A

A

K
|
K

I

V

C

C

N

N

M

M

L

V

L

L

A

A

I

V

L

Q

M

Q

S

I

G

A

T

I

S

A

E

E

A

A

L

F

A

V

L

L

G

A

V

E

K

K

N

L

G

G

L

L

D

S

P

A

A

Q

V

S

L

L

S

F

E

D

I

V

M

I

K

T

Q

G

S

A

S

T

G

G

G

N

N

C

W
|
W

A

A

L

V

N

H

V

T

Y

N

N

C

P

P

W

V

P

P

G

G

V

P

M

V

E

P

G

T

V

S

P

P

A

A

S

N

R

N

N

D

Y

F

E

K

G

P

G

G

F
|
F

L

S

V

T

N

A

L
|
L

M

M

T

N

K
|
K

D

D

L

L

G

G

L

L

A

A

F

M

D

D

N

A

A

V

V

A

K

A

N

T

Q

G

A

A

S

T

I

A

P

P

M

L

G

G

S

S

L

H

A

A

R

A

N

D

L

I

F

Y

Q

A

L

K

H

F

A

A

G

A

Q

D

G

-

N

H

G

A

S

D

L

L

D

D

F

F

S

S

S

A

I

V

binding (2~{S})-2-methylpentanedioic acid: T129 (= T132), E149 (≠ D152), A152 (≠ G155), G153 (≠ K156), G153 (≠ K156), K154 (≠ N157)
binding (2S)-2-methyl-3-oxidanyl-propanoic acid: S119 (= S122), G120 (= G123), W211 (= W214), F236 (= F239)
binding nicotinamide-adenine-dinucleotide: G8 (= G8), G10 (= G10), N11 (= N11), M12 (= M12), F30 (= F30), D31 (= D31), P32 (≠ L32), M64 (= M64), L65 (= L65), T93 (= T96), G121 (= G124), K168 (= K171), L240 (= L243), K243 (= K246)

5y8kA Mycobacterium tuberculosis 3-hydroxyisobutyrate dehydrogenase (mthibadh) + l-serine (see paper)
43% identity, 98% coverage: 1:288/295 of query aligns to 1:284/290 of 5y8kA

query
sites
5y8kA

M

M

A

T

K

T

I

I

T

A

F

F

I

L

G

G

L

L

G

G

N

N

M

M

G

G

G

A

P

P

M

M

A

S

G

A

N

N

L

L

V

V

K

G

A

A

G

G

H

H

E

V

V

V

T

R

V

G

F

F

D

D

L

P

S

A

K

P

D

T

A

A

V

A

A

S

A

G

L

A

V

A

S

A

E

H

G

G

A

V

K

A

T

V

A

F

G

R

T

S

A

A

H

P

E

E

A

A

A

V

S

A

G

E

A

A

E

D

C

V

V

V

I

I

T

T

M

M

L

L

P

P

A

T

G

G

Q

E

H

V

V

V

E

R

A

R

V

C

Y

Y

L

-

G

-

D

T

D

D

G

V

L

L

L

A

A

A

K

A

L

R

P

P

A

A

G

-

T

T

L

L

V

F

I

I

D

D

S

S

T
|
T

I

I

A

S

P

V

E

T

T

D

A

A

R

R

G

E

V

V

A

H

E

A

V

L

A

A

R

E

A

S

K

H

D

G

I

M

P

L

F

Q

L

L

D

D

A

A

P

P

V

V

S

S

G

G

V

V

G

K

G

G

A

A

K

A

A

A

G

A

T

T

L

L

T

A

F

F

I

M

C

V

G

G

S

D

E

E

E

S

A

T

F

L

N

R

K

R

A

A

K
x
R

P

P

I

V

L

L

D
x
E

T

P

M

M

G
x
A

K
x
G

N

K

I
|
I

F

I

H

H

A

C

G

G

D

A

H

A

G

G

S

A

G

G

Q

Q

V

A

A

A

K
|
K

I

V

C

C

N

N

M

M

L

V

L

L

A

A

I

V

L

Q

M

Q

S

I

G

A

T

I

S

A

E

E

A

A

L

F

A

V

L

L

G

A

V

E

K

K

N

L

G

G

L

L

D

S

P

A

A

Q

V

S

L

L

S

F

E

D

I

V

M

I

K

T

Q

G

S

A

S

T

G

G

G

N

N

C

W

W

A

A

L

V

N

H

V

T

Y

N

N

C

P

P

W

V

P

P

G

G

V

P

M

V

E

P

G

T

V

S

P

P

A

A

S

N

R

N

N

D

Y

F

E

K

G

P

G

G

F
|
F

L

S

V

T

N

A

L
|
L

M

M

T

N

K
|
K

D
|
D

L

L

G

G

L

L

A

A

F

M

D

D

N

A

A

V

V

A

K

A

N

T

Q

G

A

A

S

T

I

A

P

P

M

L

G

G

S

S

L

H

A

A

R

A

N

D

L

I

F

Y

Q

A

L

K

H

F

A

A

G

A

Q

D

G

-

N

H

G

A

S

D

L

L

D

D

F

F

S

S

S

A

I

V

binding (2~{S})-2-methylpentanedioic acid: R145 (≠ K148), E149 (≠ D152), A152 (≠ G155), G153 (≠ K156), I155 (= I158)
binding serine: T93 (= T96), K168 (= K171), F236 (= F239), L240 (= L243), K243 (= K246), D244 (= D247)

5y8hA Mycobacterium tuberculosis 3-hydroxyisobutyrate dehydrogenase (mthibadh) + NAD+ (see paper)
43% identity, 97% coverage: 4:288/295 of query aligns to 3:283/291 of 5y8hA

query
sites
5y8hA

I

I

T

A

F

F

I

L

G
|
G

L

L

G
|
G

N
|
N

M
|
M

G

G

G

A

P

P

M

M

A

S

G

A

N

N

L

L

V

V

K

G

A

A

G

G

H

H

E

V

V

V

T

R

V

G

F
|
F

D
|
D

L
x
P

S

A

K

P

D

T

A

A

V

A

A

S

A

G

L

A

V

A

S

A

E

H

G

G

A

V

K

A

T

V

A

F

G

R

T

S

A

A

H

P

E

E

A

A

A

V

S

A

G

E

A

A

E

D

C

V

V

V

I

I

T

T

M
|
M

L
|
L

P

P

A

T

G

G

Q

E

H

V

V

V

E

R

A

R

V

C

Y

Y

L

-

G

-

D

T

D

D

G

V

L

L

L

A

A

A

K

A

L

R

P

P

A

A

G

-

T

T

L

L

V

F

I

I

D

D

S

S

T

T

I

I

A

S

P

V

E

T

T

D

A

A

R

R

G

E

V

V

A

H

E

A

V

L

A

A

R

E

A

S

K

H

D

G

I

M

P

L

F

Q

L

L

D

D

A

A

P

P

V

V

S

S

G

G

G
|
G

V

V

G

K

G

G

A

A

K

A

A

A

G

A

T

T

L

L

T

A

F

F

I

M

C

V

G

G

S

D

E

E

E

S

A

T

F

L

N

R

K

R

A

A

K
x
R

P

P

I

V

L

L

D
x
E

T

P

M

M

G
x
A

K

G

N
x
K

I

I

F

I

H

H

A

C

G

G

D

A

H

A

G

G

S

A

G

G

Q

Q

V

A

A

A

K

K

I

V

C

C

N

N

M

M

L

V

L

L

A

A

I

V

L

Q

M

Q

S

I

G

A

T

I

S

A

E

E

A

A

L

F

A

V

L

L

G

A

V

E

K

K

N

L

G

G

L

L

D

S

P

A

A

Q

V

S

L

L

S

F

E

D

I

V

M

I

K

T

Q

G

S

A

S

T

G

G

G

N

N

C

W

W

A

A

L

V

N

H

V

T

Y

N

N

C

P

P

W

V

P

P

G

G

V

P

M

V

E

P

G

T

V

S

P

P

A

A

S

N

R

N

N

D

Y

F

E

K

G

P

G

G

F

F

L

S

V

T

N

A

L
|
L

M

M

T

N

K
|
K

D

D

L

L

G

G

L

L

A

A

F

M

D

D

N

A

A

V

V

A

K

A

N

T

Q

G

A

A

S

T

I

A

P

P

M

L

G

G

S

S

L

H

A

A

R

A

N

D

L

I

F

Y

Q

A

L

K

H

F

A

A

G

A

Q

D

G

-

N

H

G

A

S

D

L

L

D

D

F

F

S

S

S

A

I

V

binding (2~{S})-2-methylpentanedioic acid: R144 (≠ K148), E148 (≠ D152), A151 (≠ G155), K153 (≠ N157)
binding nicotinamide-adenine-dinucleotide: G7 (= G8), G9 (= G10), N10 (= N11), M11 (= M12), F29 (= F30), D30 (= D31), P31 (≠ L32), M63 (= M64), L64 (= L65), G120 (= G124), L239 (= L243), K242 (= K246)

5y8iA Mycobacterium tuberculosis 3-hydroxyisobutyrate dehydrogenase (mthibadh) + (s)-3-hydroxyisobutyrate (s-hiba) (see paper)
43% identity, 97% coverage: 4:288/295 of query aligns to 3:283/292 of 5y8iA

query
sites
5y8iA

I

I

T

A

F

F

I

L

G

G

L

L

G

G

N

N

M

M

G

G

G

A

P

P

M

M

A

S

G

A

N

N

L

L

V

V

K

G

A

A

G

G

H

H

E

V

V

V

T

R

V

G

F

F

D

D

L

P

S

A

K

P

D

T

A

A

V

A

A

S

A

G

L

A

V

A

S

A

E

H

G

G

A

V

K

A

T

V

A

F

G

R

T

S

A

A

H

P

E

E

A

A

A

V

S

A

G

E

A

A

E

D

C

V

V

V

I

I

T

T

M

M

L

L

P

P

A

T

G

G

Q

E

H

V

V

V

E

R

A

R

V

C

Y

Y

L

-

G

-

D

T

D

D

G

V

L

L

L

A

A

A

K

A

L

R

P

P

A

A

G

-

T

T

L

L

V

F

I

I

D

D

S

S

T

T

I

I

A

S

P

V

E

T

T

D

A

A

R

R

G

E

V

V

A

H

E

A

V

L

A

A

R

E

A

S

K

H

D

G

I

M

P

L

F

Q

L

L

D

D

A

A

P

P

V

V

S

S

G

G

V

V

G

K

G

G

A

A

K

A

A

A

G

A

T

T

L

L

T

A

F

F

I

M

C

V

G

G

S

D

E

E

E

S

A

T

F

L

N

R

K

R

A

A

K

R

P

P

I

V

L

L

D
x
E

T

P

M

M

G
x
A

K

G

N
x
K

I
|
I

F

I

H

H

A

C

G

G

D

A

H

A

G

G

S

A

G

G

Q

Q

V

A

A

A

K

K

I

V

C

C

N

N

M

M

L

V

L

L

A

A

I

V

L

Q

M

Q

S

I

G

A

T

I

S

A

E

E

A

A

L

F

A

V

L

L

G

A

V

E

K

K

N

L

G

G

L

L

D

S

P

A

A

Q

V

S

L

L

S

F

E

D

I

V

M

I

K

T

Q

G

S

A

S

T

G

G

G

N

N

C

W

W

A

A

L

V

N

H

V

T

Y

N

N

C

P

P

W

V

P

P

G

G

V

P

M

V

E

P

G

T

V

S

P

P

A

A

S

N

R

N

N

D

Y

F

E

K

G

P

G

G

F

F

L

S

V

T

N

A

L

L

M

M

T

N

K

K

D

D

L

L

G

G

L

L

A

A

F

M

D

D

N

A

A

V

V

A

K

A

N

T

Q

G

A

A

S

T

I

A

P

P

M

L

G

G

S

S

L

H

A

A

R

A

N

D

L

I

F

Y

Q

A

L

K

H

F

A

A

G

A

Q

D

G

-

N

H

G

A

S

D

L

L

D

D

F

F

S

S

S

A

I

V

binding (2~{S})-2-methylpentanedioic acid: E148 (≠ D152), A151 (≠ G155), K153 (≠ N157), I154 (= I158)

P0A9V8 3-sulfolactaldehyde reductase; SLA reductase; 4-hydroxybutyrate dehydrogenase; Gamma-hydroxybutyrate dehydrogenase; GHBDH; Succinic semialdehyde reductase; SSA reductase; EC 1.1.1.373; EC 1.1.1.61 from Escherichia coli (strain K12)
37% identity, 98% coverage: 1:288/295 of query aligns to 1:282/298 of P0A9V8

query
sites
P0A9V8

M

M

A

A

K

A

I

I

T

A

F

F

I

I

G

G

L

L

G

G

N
x
Q

M
|
M

G

G

G

S

P

P

M

M

A

A

G

S

N

N

L

L

V

L

K

Q

A

Q

G

G

H

H

E

Q

V

L

T

R

V

V

F

F

D
|
D

L

V

S

N

K

A

D

E

A

A

V

V

A

R

A

H

L

L

V

V

S

D

E

K

G

G

A

A

K

T

T

P

A

A

G

A

T

N

A

P

H

A

E

Q

A

A

S

K

G

D

A

A

E

E

C

F

V

I

I

I

T

T

M

M

L
|
L

P

P

A

N

G

G

Q

D

H

L

V

V

E

R

A

N

V

V

Y

L

L

F

G

G

D

E

D

N

G

G

L

V

L

C

A

E

K

G

L

L

P

S

A

T

G

D

T

A

L

L

V

V

I

I

D

D

S

M

S

S

T
|
T

I

I

A

H

P

P

-

L

E

Q

T

T

A

D

R

K

G

L

V

I

A

A

E

D

V

M

A

-

R

Q

A

A

K

K

D

G

I

F

P

S

F

M

L

M

D

D

A

V

P

P

V

V

S
x
G

G
x
R

G
x
T

V

S

G

A

G

N

A

A

K

I

A

T

G

G

T

T

L

L

T

L

F

L

I

L

C

A

G

G

S

T

E

A

E

E

A

Q

F

V

N

E

K

R

A

A

K

T

P

P

I

I

L

L

D

M

T

A

M

M

G

G

K

S

N

E

I

L

F

I

H

N

A

A

G

G

D

G

H

P

G

G

S

M

G

G

Q

I

V

R

A

V

K

K

I

L

C

I

N
|
N

M
x
Y

L
x
M

L
x
S

A

I

I

A

L

L

M

N

S

A

G

L

T

S

S

A

E

E

A

A

L

A

A

V

L

L

G

C

V

E

K

A

N

L

G

N

L

L

D

P

P

F

A

D

V

V

L

A

S

V

E

K

I

V

M

M

K

S

Q

G

S

T

S

A

G

A

G

G

N

K

W

G

A

-

L

-

N

H

V

F

Y

T

N

T

P

S

W

W

P

P

G

N

-

K

V

V

M

L

E

S

G

G

V

-

P

-

A

-

S

-

R

-

N

D

Y

L

E

S

G

P

G

A

F

F

L

M

V

I

N

D

L

L

M

A

T

H

K
|
K

D

D

L

L

G

G

L

I

A

A

F

L

D

D

N

V

A

A

V

N

K

Q

N

L

Q

H

A

V

S

P

I

M

P

P

M

L

G

G

S

A

L

A

A

S

R

R

N

E

L

V

F

Y

Q

S

L

Q

H

A

A

R

G

A

Q

A

G

G

N

R

G

G

S

R

L

Q

D

D

F

W

S

S

S

A

I

I

QM 11:12 (≠ NM 11:12) binding NAD(+)
D31 (= D31) binding NAD(+)
L65 (= L65) binding NAD(+)
T96 (= T96) binding NAD(+)
G122 (≠ S122) mutation to S: 25-fold decrease in catalytic efficiency with SLA as substrate. 5-fold decrease in catalytic efficiency with NADH as substrate.
R123 (≠ G123) binding 2,3-dihydroxypropane-1-sulfonate; mutation to G: 130-fold decrease in catalytic efficiency with SLA as substrate. 3-fold decrease in catalytic efficiency with NADH as substrate.
T124 (≠ G124) mutation to G: 230-fold decrease in catalytic efficiency with SLA as substrate. 12-fold decrease in catalytic efficiency with NADH as substrate.
NNYMS 174:178 (≠ NNMLL 174:178) binding 2,3-dihydroxypropane-1-sulfonate
K240 (= K246) binding NAD(+)

6smyA Crystal structure of sla reductase yihu from e. Coli with nadh and product dhps
36% identity, 97% coverage: 2:288/295 of query aligns to 1:281/294 of 6smyA

query
sites
6smyA

A

A

K

A

I

I

T

A

F

F

I

I

G

G

L

L

G

G

N

Q

M

M

G

G

G

S

P

P

M

M

A

A

G

S

N

N

L

L

V

L

K

Q

A

Q

G

G

H

H

E

Q

V

L

T

R

V

V

F

F

D

D

L

V

S

N

K

A

D

E

A

A

V

V

A

R

A

H

L

L

V

V

S

D

E

K

G

G

A

A

K

T

T

P

A

A

G

A

T

N

A

P

H

A

E

Q

A

A

S

K

G

D

A

A

E

E

C

F

V

I

I

I

T

T

M

M

L

L

P

P

A

N

G

G

Q

D

H

L

V

V

E

R

A

N

V

V

Y

L

L

F

G

G

D

E

D

N

G

G

L

V

L

C

A

E

K

G

L

L

P

S

A

T

G

D

T

A

L

L

V

V

I

I

D

D

S

M

S

S

T

T

I

I

A

H

P

P

-

L

E

Q

T

T

A

D

R

K

G

L

V

I

A

A

E

D

V

M

A

-

R

Q

A

A

K

K

D

G

I

F

P

S

F

M

L

M

D

D

A

V

P

P

V

V

S

G

G

R

G

T

V

S

G

A

G

N

A

A

K

I

A

T

G

G

T

T

L

L

T

L

F

L

I

L

C

A

G

G

S

T

E

A

E

E

A

Q

F

V

N

E

K

R

A

A

K

T

P

P

I

I

L

L

D

M

T

A

M

M

G

G

K

S

N

E

I

L

F

I

H

N

A

A

G

G

D

G

H

P

G

G

S

M

G

G

Q

I

V

R

A

V

K

K

I

L

C

I

N

N

M

Y

L

M

L

S

A

I

I

A

L

L

M

N

S

A

G

L

T

S

S

A

E

E

A

A

L

A

A

V

L

L

G

C

V

E

K

A

N

L

G

N

L

L

D

P

P

F

A

D

V

V

L

A

S

V

E

K

I

V

M

M

K

S

Q

G

S

T

S

A

G

A

G

G

N

K

W

G

A

-

L

-

N

H

V

F

Y

T

N

T

P

S

W

W

P

P

G

N

-

K

V

V

M

L

E

S

G

G

V

-

P

-

A

-

S

-

R

-

N

D

Y

L

E

S

G

P

G

A

F
|
F

L

M

V

I

N

D

L

L

M

A

T

H

K

K

D

D

L

L

G

G

L

I

A

A

F

L

D

D

N

V

A

A

V

N

K

Q

N

L

Q

H

A

V

S

P

I

M

P

P

M

L

G

G

S

A

L

A

A

S

R

R

N

E

L

V

F

Y

Q

S

L

Q

H

A

A

R

G

A

Q

A

G

G

N

R

G

G

S

R

L

Q

D

D

F
x
W

S

S

S

A

I

I

binding (2~{S})-2,3-bis(oxidanyl)propane-1-sulfonic acid: F232 (= F239), W278 (≠ F285)

6smzC Crystal structure of sla reductase yihu from e. Coli in complex with nadh
36% identity, 97% coverage: 2:288/295 of query aligns to 1:281/295 of 6smzC

query
sites
6smzC

A

A

K

A

I

I

T

A

F

F

I

I

G

G

L

L

G
|
G

N
x
Q

M
|
M

G

G

G

S

P

P

M

M

A

A

G

S

N

N

L

L

V

L

K

Q

A

Q

G

G

H

H

E

Q

V

L

T

R

V

V

F
|
F

D
|
D

L
x
V

S

N

K

A

D

E

A

A

V

V

A

R

A

H

L

L

V

V

S

D

E

K

G

G

A

A

K

T

T

P

A

A

G

A

T

N

A

P

H

A

E

Q

A

A

S

K

G

D

A

A

E

E

C

F

V

I

I

I

T

T

M
|
M

L
|
L

P

P

A

N

G

G

Q

D

H

L

V

V

E

R

A

N

V
|
V

Y

L

L

F

G

G

D

E

D

N

G

G

L

V

L

C

A

E

K

G

L

L

P

S

A

T

G

D

T

A

L

L

V

V

I

I

D

D

S

M

S
|
S

T
|
T

I

I

A

H

P

P

-

L

E

Q

T

T

A

D

R

K

G

L

V

I

A

A

E

D

V

M

A

-

R

Q

A

A

K

K

D

G

I

F

P

S

F

M

L

M

D

D

A

V

P

P

V

V

S

G

G
x
R

G

T

V

S

G

A

G

N

A

A

K

I

A

T

G

G

T

T

L

L

T

L

F

L

I

L

C

A

G

G

S

T

E

A

E

E

A

Q

F

V

N

E

K

R

A

A

K

T

P

P

I

I

L

L

D

M

T

A

M

M

G

G

K

S

N

E

I

L

F

I

H

N

A

A

G

G

D

G

H

P

G

G

S

M

G

G

Q

I

V

R

A

V

K

K

I

L

C

I

N

N

M

Y

L

M

L

S

A

I

I

A

L

L

M

N

S

A

G

L

T

S

S

A

E

E

A

A

L

A

A

V

L

L

G

C

V

E

K

A

N

L

G

N

L

L

D

P

P

F

A

D

V

V

L

A

S

V

E

K

I

V

M

M

K

S

Q

G

S

T

S

A

G

A

G

G

N

K

W

G

A

-

L

-

N

H

V

F

Y

T

N

T

P

S

W

W

P

P

G

N

-

K

V

V

M

L

E

S

G

G

V

-

P

-

A

-

S

-

R

-

N

D

Y

L

E

S

G

P

G

A

F

F

L

M

V

I

N

D

L

L

M

A

T

H

K

K

D

D

L

L

G

G

L

I

A

A

F

L

D

D

N

V

A

A

V

N

K

Q

N

L

Q

H

A

V

S

P

I

M

P

P

M

L

G

G

S

A

L

A

A

S

R

R

N

E

L

V

F

Y

Q

S

L

Q

H

A

A

R

G

A

Q

A

G

G

N

R

G

G

S

R

L

Q

D

D

F

W

S

S

S

A

I

I

binding nicotinamide-adenine-dinucleotide: G9 (= G10), Q10 (≠ N11), M11 (= M12), F29 (= F30), D30 (= D31), V31 (≠ L32), M63 (= M64), L64 (= L65), V73 (= V74), S94 (= S95), T95 (= T96), R122 (≠ G123)

3ws7A The 1.18 a resolution structure of l-serine 3-dehydrogenase complexed with NADP+ and sulfate ion from the hyperthermophilic archaeon pyrobaculum calidifontis (see paper)
34% identity, 97% coverage: 3:288/295 of query aligns to 15:290/293 of 3ws7A

query
sites
3ws7A

K

R

I

V

T

G

F

F

I

I

G
|
G

L
|
L

G
|
G

N
x
I

M
|
M

G

G

P

P

M

M

A

A

G

T

N

H

L

L

V

L

K

K

A

A

G

G

H

F

E

L

V

A

T

A

V

V

F

Y

D
x
N

L
x
R

S
x
T

K

R

D

E

A
x
K

V

T

A

K

A

P

L

F

V

A

S

E

E

A

G

G

A

V

K

Y

T

V

A

A

G

E

T

S

A

P

H

A

E

D

A

L

A

A

S

K

G

R

A

V

E

D

C

V

V

V

I

I

T

V

M
|
M

L
x
V

P
x
S

A

D

G

A

Q

P

H
x
D

V

V

E

E

A
x
Q

V

V

Y

L

L

F

G

G

D

P

D

S

G

G

L

V

A

E

K

G

L

A

P

R

A

P

G

G

T

L

L

I

V

V

I

V

D

D

S

M

S

S

T

T

I

N

A

S

P

P

E

D

T

W

A

A

R

R

G

K

V

F

A

A

E

E

V

R

A

L

R

A

A

Q

K

Y

D

G

I

I

P

E

F

F

L

L

D

D

A

A

P

P

V
|
V

S
x
T

G
|
G

G

G

V

Q

G

K

G

G

A

A

K

I

A

E

G

G

T

T

L

L

T

T

F

I

I

M

C

V

G

G

S

K

E

E

A

L

F

F

N

H

K

R

A

L

K

L

P

P

I

I

L

F

D

K

T

A

M

M

G

G

K

R

N

D

I

I

F

V

H

Y

A

M

G

G

D

P

H

V

G

G

S

Y

G

G

Q

Q

V

A

A

M

K
|
K

I

L

C

V

N

N

N

Q

M

V

L

V

A

A

I

L

L

N

M

T

S

V

G

A

T

M

S

V

E

E

A

G

L

L

A

K

L

L

G

A

V

K

K

A

N

L

G

G

L

L

D

D

P

M

A

D

V

K

L

V

S

A

E

E

I

V

M

L

K

T

Q

A

S

R

S

S

G

G

G

-

N

-

W

-

A

A

L

I

N

E

V

L

Y

Y

N

-

P

-

W

L

P

P

G

K

V

L

M

L

E

K

G

G

V

-

P

-

A

-

S

-

R

-

N

D

Y

L

E

S

G

P

G

G

F
|
F

L
x
K

V

A

N

E

L
x
H

M

L

T

K

K
|
K

D

D

L

L

G

G

L

Y

A

V

F

L

D

E

N

E

A

A

V

R

K

K

N

R

Q

G

A

V

S

K

I

L

P

P

M

G

G

A

S

E

L

L

A

A

R

Y

N

E

L

L

F

Y

Q

R

L

K

H

M

A

V

G

E

Q

D

G

G

N

A

G

G

S

S

L

L

D

G

F

I

S

H

S

A

I

L

binding nadp nicotinamide-adenine-dinucleotide phosphate: G20 (= G8), L21 (= L9), G22 (= G10), I23 (≠ N11), M24 (= M12), N43 (≠ D31), R44 (≠ L32), T45 (≠ S33), K48 (≠ A36), M76 (= M64), V77 (≠ L65), S78 (≠ P66), D82 (≠ H70), Q85 (≠ A73), V133 (= V121), F241 (= F239), K242 (≠ L240), H245 (≠ L243), K248 (= K246)
binding sulfate ion: T134 (≠ S122), G135 (= G123), K183 (= K171)

3w6zA Crystal structure of NADP bound l-serine 3-dehydrogenase (k170m) from hyperthermophilic archaeon pyrobaculum calidifontis (see paper)
33% identity, 97% coverage: 3:288/295 of query aligns to 15:293/296 of 3w6zA

query
sites
3w6zA

K

R

I

V

T

G

F

F

I

I

G
|
G

L
|
L

G
|
G

N
x
I

M
|
M

G

G

P

P

M

M

A

A

G

T

N

H

L

L

V

L

K

K

A

A

G

G

H

F

E

L

V

A

T

A

V

V

F

Y

D
x
N

L
x
R

S
x
T

K

R

D

E

A
x
K

V

T

A

K

A

P

L

F

V

A

S

E

E

A

G

G

A

V

K

Y

T

V

A

A

G

E

T

S

A

P

H

A

E

D

A

L

A

A

S

K

G

R

A

V

E

D

C

V

V

V

I

I

T

V

M

M

L
x
V

P
x
S

A

D

G

A

Q

P

H
x
D

V

V

E

E

A
x
Q

V

V

Y

L

L

F

G

G

D

P

D

S

G

G

L

V

A

E

K

G

L

A

P

R

A

P

G

G

T

L

L

I

V

V

I

V

D

D

S

M

S

S

T

T

I

N

A

S

P

P

E

D

T

W

A

A

R

R

G

K

V

F

A

A

E

E

V

R

A

L

R

A

A

Q

K

Y

D

G

I

I

P

E

F

F

L

L

D

D

A

A

P

P

V
|
V

S

T

G

G

V

Q

G

K

G

G

A

A

K

I

A

E

G

G

T

T

L

L

T

T

F

I

I

M

C

V

G

G

S

K

E

E

A

L

F

F

N

H

K

R

A

L

K

L

P

P

I

I

L

F

D

K

T

A

M

M

G

G

K

R

N

D

I

I

F

V

H

Y

A

M

G

G

D

P

H

V

G

G

S

Y

G

G

Q

Q

V

A

A

M

K

M

I

L

C

V

N

N

N

Q

M

V

L

V

A

A

I

L

L

N

M

T

S

V

G

A

T

M

S

V

E

E

A

G

L

L

A

K

L

L

G

A

V

K

K

A

N

L

G

G

L

L

D

D

P

M

A

D

V

K

L

V

S

A

E

E

I

V

M

L

K

T

Q

R

S

G

S

A

G

A

G

R

N

S

W

G

A

A

L

I

N

E

V

L

Y

Y

N

-

P

-

W

L

P

P

G

K

V

L

M

L

E

K

G

G

V

-

P

-

A

-

S

-

R

-

N

D

Y

L

E

S

G

P

G

G

F
|
F

L
x
K

V

A

N

E

L
x
H

M

L

T

K

K
|
K

D

D

L

L

G

G

L

Y

A

V

F

L

D

E

N

E

A

A

V

R

K

K

N

R

Q

G

A

V

S

K

I

L

P

P

M

G

G

A

S

E

L

L

A

A

R

Y

N

E

L

L

F

Y

Q

R

L

K

H

M

A

V

G

E

Q

D

G

G

N

A

G

G

S

S

L

L

D

G

F

I

S

H

S

A

I

L

binding nadp nicotinamide-adenine-dinucleotide phosphate: G20 (= G8), L21 (= L9), G22 (= G10), I23 (≠ N11), M24 (= M12), N43 (≠ D31), R44 (≠ L32), T45 (≠ S33), K48 (≠ A36), V77 (≠ L65), S78 (≠ P66), D82 (≠ H70), Q85 (≠ A73), V133 (= V121), F244 (= F239), K245 (≠ L240), H248 (≠ L243), K251 (= K246)

3pefA Crystal structure of gamma-hydroxybutyrate dehydrogenase from geobacter metallireducens in complex with NADP+ (see paper)
34% identity, 99% coverage: 3:293/295 of query aligns to 3:286/287 of 3pefA

query
sites
3pefA

K

K

I

F

T

G

F

F

I

I

G

G

L

L

G
|
G

N
x
I

M
|
M

G

G

G

S

P

A

M

M

A

A

G

K

N

N

L

L

V

V

K

K

A

A

G

G

H

C

E

S

V

V

T

T

V

I

F

W

D
x
N

L
x
R

S
|
S

K

P

D

E

A
x
K

V

A

A

E

L

L

V

A

S

A

E

L

G

G

A

A

K

E

T

R

A

A

G

A

T

T

A

P

H

C

E

E

A

V

S

E

G

S

A

C

E

P

C

V

V

T

I

F

T

A

M
|
M

L
|
L

P
x
A

A
x
D

G

P

Q

A

H
x
A

V

A

E

E

A
x
E

V

V

Y

C

L

F

G

G

D

K

D

H

G

G

L

V

L

L

A

E

K

G

L

I

P

G

A

E

G

G

T

R

L

G

V

Y

I

V

D

D

S

M

S

S

T
|
T

I

V

A

D

P

P

E

A

T

T

A

S

R

Q

G

R

V

I

A

G

E

V

V

A

A

V

R

V

A

A

K

K

D

G

I

G

P

R

F

F

L

L

D

E

A

A

P

P

V
|
V

S

S

G
|
G

G
x
S

V

K

G

K

G

P

A

A

K

E

A

D

G

G

T

T

L

L

T

I

F

I

I

L

C

A

G

A

G

G

S

D

E

R

E

N

A

L

F

Y

N

D

K

E

A

A

K

M

P

P

I

G

L

F

D

E

T

K

M

M

G

G

K

K

N

K

I

I

F

I

H

H

A

L

G

G

D

D

H

V

G

G

S

K

G

G

Q

A

V

E

A

M

K
|
K

I

L

C

V

N

V

N
|
N

M

M

L

V

L
x
M

A

G

I

G

L

M

M

M

S

A

G

C

T

F

S

C

E

E

A

G

L

L

A

A

L

L

G

G

V

E

K

K

N

A

G

G

L

L

D

A

P

T

A

D

V

A

L

I

S
x
L

E

D

I

V

M

I

K
x
G

Q

A

S

G

S

A

G

-

N

-

W

-

A

-

L

-

N

-

V

M

Y

A

N
|
N

P

P

W

M

P

F

G
x
A

V

L

M

K

E

G

G

G

V

L

P

I

A

R

S

D

R

R

N

N

Y

F

E

A

G

P

G
x
A

F
|
F

L

P

V

L

N

K

L
x
H

M

M

T

Q

K
|
K

D

D

L

L

G
x
R

L

L

A

A

F

V

D

-

N

-

A

A

V

L

K

G

N

D

Q

R

A

V

S

G

I

Q

P

P

M

L

-

V

-

A

G

S

S

A

L

A

A

A

R

N

N

E

L

L

F

F

Q

K

L

G

H

A

A
x
R

G

A

Q

A

G

G

N

F

G

G

S

D

L

E

D

D

F

F

S

S

S

A

I

I

Q

F

R

K

L

T

Y

Y

K

E

binding glycerol: D67 (≠ A67), G123 (= G123), K171 (= K171), N175 (= N175), M178 (≠ L178), L203 (≠ S203), G207 (≠ K207), N213 (= N220), A217 (≠ G224), F232 (= F239), H236 (≠ L243), K239 (= K246), R242 (≠ G249), R269 (≠ A276)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G10 (= G10), I11 (≠ N11), M12 (= M12), N31 (≠ D31), R32 (≠ L32), S33 (= S33), K36 (≠ A36), M64 (= M64), L65 (= L65), A66 (≠ P66), A70 (≠ H70), E73 (≠ A73), T96 (= T96), V121 (= V121), G123 (= G123), S124 (≠ G124), A231 (≠ G238), F232 (= F239), H236 (≠ L243), K239 (= K246)

2cvzC Structure of hydroxyisobutyrate dehydrogenase from thermus thermophilus hb8 (see paper)
34% identity, 93% coverage: 1:274/295 of query aligns to 1:262/289 of 2cvzC

query
sites
2cvzC

M

M

A

E

K

K

I

V

T

A

F

F

I

I

G
|
G

L
|
L

G
|
G

N
x
A

M
|
M

G

G

G

Y

P

P

M

M

A

A

G

G

N

H

L

L

V

A

K

R

A

R

G

-

H

F

E

P

V

T

T

L

V

V

F

W

D
x
N

L
x
R

S
x
T

K

F

D

E

A

K

V

-

A

A

A

L

L

R

V

H

S

Q

E

E

G

E

A

F

K

G

T

S

A

E

G

A

T

V

A

P

H

L

E

E

A

R

A

V

S

A

G

E

A

A

E

R

C

V

V

I

I

F

T

T

M
x
C

L
|
L

P
|
P

A

T

G

T

Q

R

H
x
E

V

V

E

-

A

-

V

-

Y

Y

L
x
E

G

V

D

A

D

E

G

A

L

L

L

Y

A

P

K

Y

L

L

P

R

A

E

G

G

T

T

L

Y

V

W

I

V

D

D

S

A

S

T

T
x
S

I

G

A

E

P

P

E

E

T

A

A

S

R

R

G

R

V

L

A

A

E

E

V

R

A

L

R

R

A

E

K

K

D

G

I

V

P

T

F

Y

L

L

D

D

A

A

P

P

V
|
V

S
|
S

G

G

V

T

G

S

G

G

A

A

K

E

A

A

G

G

T

T

L

L

T

T

F

V

I

M

C

L

G

G

S

P

E

E

A

A

F

V

N

E

K

R

A

V

K

R

P

P

I

F

L

L

D

-

T

A

M

Y

G

A

K

K

N

K

I

V

F

V

H

H

A

V

G

G

D

P

H

V

G

G

S

A

G

G

Q

H

V

A

A

V

K
|
K

I

A

C

I

N
|
N

M

A

L

L

A

A

I

V

L

N

M

L

S

W

G

A

T

A

S

G

E

E

A

G

L

L

A

L

L

A

G

L

V

V

K

K

N

Q

G

G

L

V

D

S

P

A

A

E

V

K

L

A

S

L

E

E

I

V

M

I

K

N

Q

A

S

S

G

G

G

R

N

S

W

N

A

A

L

T

N

E

V

N

Y

L

N

I

P

P

W

Q

P

R

G

V

V

L

M

T

E

R

G

A

V

F

P

P

A

K

S

T

R

-

N

-

Y

-

E

-

G

-

F
|
F

L

A

V

L

N

G

L

L

M

L

T

V

K
|
K

D

D

L

L

G

G

L

I

A

A

F

M

D

G

N

V

A

L

V

D

K

G

N

E

Q

K

A

A

S

P

I

S

P

P

M

L

G

L

S

R

L

L

A

A

R

R

N

E

L

V

F

Y

Q

E

L

M

active site: S117 (= S122), K165 (= K171), N168 (= N174), N169 (= N175)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G8 (= G8), L9 (= L9), G10 (= G10), A11 (≠ N11), M12 (= M12), N30 (≠ D31), R31 (≠ L32), T32 (≠ S33), C62 (≠ M64), L63 (= L65), P64 (= P66), E68 (≠ H70), E71 (≠ L76), S91 (≠ T96), V116 (= V121), F227 (= F239), K234 (= K246)

1wp4A Structure of tt368 protein from thermus thermophilus hb8 (see paper)
34% identity, 92% coverage: 3:274/295 of query aligns to 2:261/288 of 1wp4A

query
sites
1wp4A

K

K

I

V

T

A

F

F

I

I

G
|
G

L
|
L

G
|
G

N
x
A

M
|
M

G

G

G

Y

P

P

M

M

A

A

G

G

N

H

L

L

V

A

K

R

A

R

G

-

H

F

E

P

V

T

T

L

V

V

F

W

D
x
N

L
x
R

S
x
T

K

F

D

E

A
x
K

V

-

A

A

A

L

L

R

V

H

S

Q

E

E

G

E

A

F

K

G

T

S

A

E

G

A

T

V

A

P

H

L

E

E

A

R

A

V

S

A

G

E

A

A

E

R

C

V

V

I

I

F

T

T

M
x
C

L
|
L

P
|
P

A

T

G

T

Q

R

H
x
E

V

V

E

-

A

-

V

-

Y

Y

L

E

G

V

D

A

D

E

G

A

L

L

L

Y

A

P

K

Y

L

L

P

R

A

E

G

G

T

T

L

Y

V

W

I

V

D

D

S

A

S

T

T
x
S

I

G

A

E

P

P

E

E

T

A

A

S

R

R

G

R

V

L

A

A

E

E

V

R

A

L

R

R

A

E

K

K

D

G

I

V

P

T

F

Y

L

L

D

D

A

A

P

P

V
|
V

S
|
S

G
|
G

V

T

G

S

G

G

A

A

K

E

A

A

G

G

T

T

L

L

T

T

F

V

I

M

C

L

G

G

S

P

E

E

A

A

F

V

N

E

K

R

A

V

K

R

P

P

I

F

L

L

D

-

T

A

M

Y

G

A

K

K

N

K

I

V

F

V

H

H

A

V

G

G

D

P

H

V

G

G

S

A

G

G

Q

H

V

A

A

V

K
|
K

I

A

C

I

N
|
N

M

A

L

L

A

A

I

V

L

N

M

L

S

W

G

A

T

A

S

G

E

E

A

G

L

L

A

L

L

A

G

L

V

V

K

K

N

Q

G

G

L

V

D

S

P

A

A

E

V

K

L

A

S

L

E

E

I

V

M

I

K

N

Q

A

S

S

G

G

G

R

N

S

W

N

A

A

L

T

N

E

V

N

Y

L

N

I

P

P

W

Q

P

R

G

V

V

L

M

T

E

R

G

A

V

F

P

P

A

K

S
x
T

R

-

N

-

Y

-

E

-

G

-

F
|
F

L

A

V

L

N

G

L

L

M

L

T

V

K
|
K

D

D

L

L

G

G

L

I

A

A

F

M

D

G

N

V

A

L

V

D

K

G

N

E

Q

K

A

A

S

P

I

S

P

P

M

L

G

L

S

R

L

L

A

A

R

R

N

E

L

V

F

Y

Q

E

L

M

active site: S116 (= S122), K164 (= K171), N167 (= N174), N168 (= N175)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G7 (= G8), L8 (= L9), G9 (= G10), A10 (≠ N11), M11 (= M12), N29 (≠ D31), R30 (≠ L32), T31 (≠ S33), K34 (≠ A36), C61 (≠ M64), L62 (= L65), P63 (= P66), E67 (≠ H70), S90 (≠ T96), V115 (= V121), T225 (≠ S232), F226 (= F239), K233 (= K246)
binding sulfate ion: S116 (= S122), G117 (= G123), G118 (= G124), K164 (= K171)

3pduA Crystal structure of gamma-hydroxybutyrate dehydrogenase from geobacter sulfurreducens in complex with NADP+ (see paper)
31% identity, 99% coverage: 1:293/295 of query aligns to 1:286/287 of 3pduA

query
sites
3pduA

M

M

A

T

K

T

I

Y

T

G

F

F

I

L

G
|
G

L

L

G
|
G

N
x
I

M
|
M

G

G

P

P

M

M

A

A

G

A

N

N

L

L

V

V

K

R

A

A

G

G

H

F

E

D

V

V

T

T

V

V

F

W

D
x
N

L
x
R

S
x
N

K

P

D

A

A

K

V

C

A

A

A

P

L

L

V

V

S

A

E

L

G

G

A

A

K

R

T

Q

A

A

G

S

T

S

A

P

H

A

E

E

A

V

A

C

S

A

G

A

A

C

E

D

C

I

V

T

I

I

T

A

M
|
M

L
|
L

P
x
A

A

D

G

P

Q

A

H
x
A

V

A

E

R

A

E

V

V

Y

C

L

F

G

G

D

A

D

N

G

G

L

V

L

L

A

E

K

G

L

I

P

G

A

G

G

G

T

R

L

G

V

Y

I

I

D

D

S

M

S

S

T
|
T

I

V

A

D

P

D

E

E

T

T

A

S

R

T

G

A

V

I

A

G

E

A

V

A

A

V

R

T

A

A

K

R

D

G

I

G

P

R

F

F

L

L

D

E

A

A

P

P

V
|
V

S

S

G
|
G

G
x
T

V

K

G

K

G

P

A

A

K

E

A

D

G

G

T

T

L

L

T

I

F

I

I

L

C

A

G

A

G

G

S

D

E

Q

E

S

A

L

F

F

N

T

K

D

A

A

K

G

P

P

I

A

L

F

D

A

T

A

M

L

G

G

K

K

N

K

I

C

F

L

H

H

A

L

G

G

D

E

H

V

G

G

S

Q

G

G

Q

A

V

R

A

M

K
|
K

I

L

C

V

N

V

N

N

M

M

L

I

L

M

A

G

I

Q

L

M

M

M

S

T

G

A

T

L

S

G

E

E

A

G

L

M

A

A

L

L

G

G

V

R

K

N

N

C

G

G

L

L

D

D

P

G

A

G

V

Q

L

L

S

L

E

E

I

V

M

L

K

D

Q

A

S

G

S

A

G

-

N

-

W

-

A

-

L

-

N

-

V

M

Y

A

N

N

P

P

W

M

P

F

G

K

V

G

M

K

E

G

G

Q

V

M

P

L

A

L

S

S

R

G

N

E

Y

F

E

P

G

T

G
x
S

F
|
F

L
x
P

V

L

N

K

L
x
H

M

M

T

Q

K
|
K

D

D

L

L

G
x
R

L

L

A

A

F

V

D
x
E

N

L

A

G

V

D

K
x
R

N

L

Q

G

A

Q

S

P

I

L

P

H

M

G

G

A

S

A

L

T

A

A

R

N

N

E

L

S

F

F

Q

K

L

R

H

A

A

R

G

A

Q

A

G

G

N

H

G

A

S

D

L

E

D

D

F

F

S

A

I

V

Q

F

R

R

L

V

Y

L

K

E

binding glycerol: R242 (≠ G249), E246 (≠ D253), E246 (≠ D253), R250 (≠ K257)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G8), G10 (= G10), I11 (≠ N11), M12 (= M12), N31 (≠ D31), R32 (≠ L32), N33 (≠ S33), M64 (= M64), L65 (= L65), A66 (≠ P66), A70 (≠ H70), T96 (= T96), V121 (= V121), G123 (= G123), T124 (≠ G124), K171 (= K171), S231 (≠ G238), F232 (= F239), P233 (≠ L240), H236 (≠ L243), K239 (= K246)

Query Sequence

>GFF931 FitnessBrowser__Marino:GFF931
MAKITFIGLGNMGGPMAGNLVKAGHEVTVFDLSKDAVAALVSEGAKTAGTAHEAASGAEC
VITMLPAGQHVEAVYLGDDGLLAKLPAGTLVIDSSTIAPETARGVAEVARAKDIPFLDAP
VSGGVGGAKAGTLTFICGGSEEAFNKAKPILDTMGKNIFHAGDHGSGQVAKICNNMLLAI
LMSGTSEALALGVKNGLDPAVLSEIMKQSSGGNWALNVYNPWPGVMEGVPASRNYEGGFL
VNLMTKDLGLAFDNAVKNQASIPMGSLARNLFQLHAGQGNGSLDFSSIQRLYKPE

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