SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_048081448.1 NCBI__GCF_000745485.1:WP_048081448.1 to proteins with known functional sites using BLASTp with E ≤ 0.001.

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

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

1ykfA NADP-dependent alcohol dehydrogenase from thermoanaerobium brockii (see paper)
68% identity, 100% coverage: 1:355/356 of query aligns to 1:351/352 of 1ykfA

query
sites
1ykfA

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active site: C37 (= C37), T38 (= T38), S39 (= S39), H42 (= H42), H59 (= H59), E60 (= E60), D89 (= D89), T92 (≠ S92), V95 (= V95), S103 (≠ T103), D150 (= D150), T154 (= T154), K346 (= K350)
binding nadp nicotinamide-adenine-dinucleotide phosphate: S39 (= S39), D150 (= D150), T154 (= T154), G174 (= G174), I175 (= I175), G176 (= G176), P177 (≠ A177), V178 (= V178), S199 (≠ T199), R200 (= R200), Y218 (= Y218), I223 (≠ T223), N266 (= N266), Y267 (= Y267)
binding zinc ion: C37 (= C37), H59 (= H59), D150 (= D150)

1bxzB Crystal structure of a thermophilic alcohol dehydrogenase substrate complex from thermoanaerobacter brockii (see paper)
68% identity, 100% coverage: 1:355/356 of query aligns to 1:351/352 of 1bxzB

query
sites
1bxzB

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active site: C37 (= C37), T38 (= T38), S39 (= S39), H42 (= H42), H59 (= H59), E60 (= E60), D89 (= D89), T92 (≠ S92), V95 (= V95), S103 (≠ T103), D150 (= D150), T154 (= T154), K346 (= K350)
binding 2-butanol: H59 (= H59), D150 (= D150)

P14941 NADP-dependent isopropanol dehydrogenase; EC 1.1.1.80 from Thermoanaerobacter brockii (Thermoanaerobium brockii) (see 2 papers)
68% identity, 100% coverage: 1:355/356 of query aligns to 1:351/352 of P14941

query
sites
P14941

M

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C37 (= C37) binding Zn(2+)
H59 (= H59) binding Zn(2+)
D150 (= D150) binding Zn(2+)
IGPV 175:178 (≠ IGAV 175:178) binding NADP(+)
GSR 198:200 (≠ GTR 198:200) binding NADP(+)
Y218 (= Y218) binding NADP(+)
VNY 265:267 (≠ NNY 265:267) binding NADP(+)
K340 (= K344) binding NADP(+)

7uutA Ternary complex crystal structure of secondary alcohol dehydrogenases from the thermoanaerobacter ethanolicus mutants c295a and i86a provides better understanding of catalytic mechanism (see paper)
68% identity, 100% coverage: 1:355/356 of query aligns to 1:351/352 of 7uutA

query
sites
7uutA

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V

V

N

N

L

D

A

A

D

D

N

M

N

N

L

L

A

A

H

H

L

L

P

P

E

K

G

E

M

I

S

P

Q

L

E

E

A

A

A

A

V

V

M

M

I

I

T

P

D
|
D

M

M

M

M

S

T

T
|
T

G

G

F

F

M

H

G

G

A

A

E

E

N

L

A

A

G

D

I

I

E

E

L

L

G

G

S

A

T

T

V

V

A

A

V

V

L

L

G
|
G

I

I

G
|
G

A
x
P

V
|
V

G

G

L

L

C

M

G

A

I

V

A

A

G

G

A

A

K

K

L

L

R

R

G

G

A

A

G

G

R

R

I

I

F

I

A

A

V

V

G

G

T
x
S

R
|
R

P

P

V

V

S

C

V

V

E

D

V

A

A

A

K

K

K

Y

Y

Y

G

G

A

A

T

T

D

D

I

I

I

V

S

N

Y

Y

R

K

D

D

G

G

D

P

T

I

A

E

E

S

Q

Q

I

I

L

M

D

N

A

L

T

T

D

E

G

G

E

K

G

G

V

V

D

D

A

A

V

A

I

I

I

I

S
x
A

G
|
G

G
|
G

G

N

P

A

D

D

I
|
I

L

M

I

A

D

T

A

A

C

V

K

K

M

I

A

V

K

K

A

P

G

G

S

G

K

T

I

I

S

A

N

N

N
x
V

N
|
N

Y
|
Y

F

F

G

G

K

E

G

G

E

E

G

-

E

-

K

-

D

-

T

V

L

L

P

P

L

V

C

P

R

R

V

L

G

E

W

W

G

G

F

C

G

G

M

M

A

A

D

H

K

K

D

T

I

I

I

K

T

G

G

G

L

L

C
|
C

P

P

G

G

G

G

R

R

V

L

R

R

M

M

E

E

R

R

L

L

A

I

D

D

I

L

V

V

T

F

Y

Y

G

K

R

R

M

V

D

D

P

P

E

S

L

K

L

L

V

V

T

T

H

H

K

V

F

F

K

R

G

G

F

F

D

D

K

N

I

I

E

E

E

K

A

A

L

F

L

M

L

L

M

M

K

K

E

D

K
|
K

P

P

R

K

D

D

L

L

I

I

K

K

P

P

V

V

V

V

L

I

L

L

binding (2R)-pentan-2-ol: S39 (= S39), H59 (= H59), A85 (= A85), W110 (= W110), D150 (= D150), C295 (= C299)
binding nadp nicotinamide-adenine-dinucleotide phosphate: C37 (= C37), T38 (= T38), S39 (= S39), D150 (= D150), T154 (= T154), G174 (= G174), G176 (= G176), P177 (≠ A177), V178 (= V178), S199 (≠ T199), R200 (= R200), A242 (≠ S242), G243 (= G243), G244 (= G244), I248 (= I248), V265 (≠ N265), N266 (= N266), Y267 (= Y267), C295 (= C299), K340 (= K344)
binding zinc ion: C37 (= C37), H59 (= H59), D150 (= D150)

7f3pD Crystal structure of a NADP-dependent alcohol dehydrogenase mutant in apo form (see paper)
67% identity, 100% coverage: 1:355/356 of query aligns to 4:354/355 of 7f3pD

query
sites
7f3pD

M

M

K

K

G

G

F

F

A

A

M

M

L

L

K

S

I

I

G

G

E

K

T

V

G

G

W

W

I

I

E

E

K

K

D

E

R

K

P

P

K

A

C

P

G

G

P

P

R

F

D

D

A

A

I

I

V

V

R

R

P

P

T

L

C

A

L

V

A

A

P

P

C
|
C

T

T

S

S

D

D

V

I

H

H

T

T

V

V

W

F

E

E

G

G

A

A

I

I

G

G

D

E

R

R

H

H

N

N

M

M

I

I

L

L

G

G

H
|
H

E

E

A

A

V

V

G

G

I

E

V

V

D

V

E

E

V

V

G

G

T

S

E

E

V

V

K

K

D

D

F

F

K

K

P

P

G

G

D

D

R

R

V

V

I

V

V

V

P

S

A

A

I

L

T

T

P

P

D

D

W

W

D

R

S

T

E

S

A

E

V

V

Q

Q

R

R

G

G

F

Y

P

H

S

Q

Q

H

T

S

G

G

G

G

A

M

C

L

G

A

G

G

W

W

K

K

Y

F

S

S

N

N

F

V

K

K

D

D

G

G

V

V

F

F

G

G

E

E

F

F

F

F

H

H

V

V

N

N

L

D

A

A

D

D

N

M

N

N

L

L

A

A

H

H

L

L

P

P

E

K

G

E

M

I

S

P

Q

L

E

E

A

A

A

A

V

V

M

M

I

I

T

P

D
|
D

M

M

M

M

S

T

T

T

G

G

F

F

M

H

G

G

A

A

E

E

N

L

A

A

G

D

I

I

E

E

L

L

G

G

S

A

T

T

V

V

A

A

V

V

L

L

G

G

I

I

G

G

A

P

V

V

G

G

L

L

C

M

G

A

I

V

A

A

G

G

A

A

K

K

L

L

R

R

G

G

A

A

G

G

R

R

I

I

F

I

A

A

V

V

G

G

T

S

R

R

P

P

V

V

S

C

V

V

E

D

V

A

A

A

K

K

K

Y

Y

Y

G

G

A

A

T

T

D

D

I

I

I

V

S

N

Y

Y

R

K

D

D

G

G

D

P

T

I

A

E

E

S

Q

Q

I

I

L

M

D

N

A

L

T

T

D

E

G

G

E

K

G

G

V

V

D

D

A

A

V

A

I

I

I

I

S

A

G

G

G

G

G

N

P

A

D

D

I

I

L

M

I

A

D

T

A

A

C

V

K

K

M

I

A

V

K

K

A

P

G

G

S

G

K

T

I

I

S

A

N

N

N

V

N

N

Y

Y

F

F

G

G

K

E

G

G

E

E

G

-

E

-

K

-

D

-

T

V

L

L

P

P

L

V

C

P

R

R

V

L

G

E

W

W

G

G

F

C

G

G

M

M

A

A

D

H

K

K

D

T

I

I

I

K

T

G

G

G

L

L

C

C

P

P

G

G

G

G

R

R

V

L

R

R

M

M

E

E

R

R

L

L

A

I

D

D

I

L

V

V

T

F

Y

Y

G

K

R

R

M

V

D

D

P

P

E

S

L

K

L

L

V

V

T

T

H

H

K

V

F

F

K

R

G

G

F

F

D

D

K

N

I

I

E

E

E

K

A

A

L

F

L

M

L

L

M

M

K

K

E

D

K

K

P

P

R

K

D

D

L

L

I

I

K

K

P

P

V

V

V

V

L

I

L

L

binding zinc ion: C40 (= C37), H62 (= H59), D153 (= D150)

7ux4A Crystallographic snapshots of ternary complexes of thermophilic secondary alcohol dehydrogenase from thermoanaerobacter pseudoethanolicus reveal the dynamics of ligand exchange and the proton relay network. (see paper)
67% identity, 99% coverage: 3:355/356 of query aligns to 1:349/350 of 7ux4A

query
sites
7ux4A

G

G

F

F

A

A

M

M

L

L

K

S

I

I

G

G

E

K

T

V

G

G

W

W

I

I

E

E

K

K

D

E

R

K

P

P

K

A

C

P

G

G

P

P

R

F

D

D

A

A

I

I

V

V

R

R

P

P

T

L

C

A

L

V

A

A

P

P

C
|
C

T

T

S
|
S

D

D

V

I

H

H

T

T

V

V

W

F

E

E

G

G

A

A

I

I

G

G

D

E

R

R

H

H

N

N

M

M

I

I

L

L

G

G

H
|
H

E
|
E

A

A

V

V

G

G

I

E

V

V

D

V

E

E

V

V

G

G

T

S

E

E

V

V

K

K

D

D

F

F

K

K

P

P

G

G

D

D

R

R

V

V

I

V

V

V

P

P

A

A

I

A

T

T

P

P

D

D

W

W

D

R

S

T

E

S

A

E

V

V

Q

Q

R

R

G

G

F

Y

P

H

S

Q

Q

H

T

S

G

G

G

G

A

M

C

L

G

A

G

G

W
|
W

K

K

Y

F

S

S

N

N

F

V

K

K

D

D

G

G

V

V

F

F

G

G

E

E

F

F

F

F

H

H

V

V

N

N

L

D

A

A

D

D

N

M

N

N

L

L

A

A

H

H

L

L

P

P

E

K

G

E

M

I

S

P

Q

L

E

E

A

A

A

A

V

V

M

M

I

I

T

P

D
|
D

M

M

M

M

S

T

T
|
T

G

G

F

F

M

H

G

G

A

A

E

E

N

L

A

A

G

D

I

I

E

E

L

L

G

G

S

A

T

T

V

V

A

A

V

V

L

L

G
|
G

I
|
I

G
|
G

A
x
P

V
|
V

G

G

L

L

C

M

G

A

I

V

A

A

G

G

A

A

K

K

L

L

R

R

G

G

A

A

G

G

R

R

I

I

F

I

A

A

V

V

G

G

T

S

R
|
R

P

P

V

V

S

C

V

V

E

D

V

A

A

A

K

K

K

Y

Y

Y

G

G

A

A

T

T

D

D

I

I

I

V

S

N

Y

Y

R

K

D

D

G

G

D

P

T

I

A

E

E

S

Q

Q

I

I

L

M

D

N

A

L

T

T

D

E

G

G

E

K

G

G

V

V

D

D

A

A

V

A

I

I

I

I

S

A

G

G

G
|
G

G

N

P

A

D

D

I

I

L

M

I

A

D

T

A

A

C

V

K

K

M

I

A

V

K

K

A

P

G

G

S

G

K

T

I

I

S

A

N

N

N
x
V

N
|
N

Y
|
Y

F

F

G

G

K

E

G

G

E

E

G

-

E

-

K

-

D

-

T

V

L

L

P

P

L

V

C

P

R

R

V

L

G

E

W

W

G

G

F

C

G

G

M

M

A

A

D

H

K

K

D

T

I

I

I

K

T

G

G

G

L

L

C
|
C

P

P

G

G

G

G

R

R

V

L

R

R

M

M

E

E

R

R

L

L

A

I

D

D

I

L

V

V

T

F

Y

Y

G

K

R

R

M

V

D

D

P

P

E

S

L

K

L

L

V

V

T

T

H

H

K

V

F

F

K

R

G

G

F

F

D

D

K

N

I

I

E

E

E

K

A

A

L

F

L

M

L

L

M

M

K

K

E

D

K

K

P

P

R

K

D

D

L

L

I

I

K

K

P

P

V

V

V

V

L

I

L

L

binding nadp nicotinamide-adenine-dinucleotide phosphate: D148 (= D150), T152 (= T154), G172 (= G174), I173 (= I175), G174 (= G176), P175 (≠ A177), V176 (= V178), R198 (= R200), G242 (= G244), V263 (≠ N265), N264 (= N266), Y265 (= Y267), C293 (= C299)
binding (1S,3S)-3-methylcyclohexan-1-ol: S37 (= S39), H57 (= H59), W108 (= W110), D148 (= D150)
binding zinc ion: C35 (= C37), H57 (= H59), E58 (= E60), D148 (= D150)

3fsrA Chimera of alcohol dehydrogenase by exchange of the cofactor binding domain res 153-295 of t. Brockii adh by c. Beijerinckii adh (see paper)
66% identity, 100% coverage: 1:355/356 of query aligns to 1:351/352 of 3fsrA

query
sites
3fsrA

M

M

K

K

G

G

F

F

A

A

M

M

L

L

K

S

I

I

G

G

E

K

T

V

G

G

W

W

I

I

E

E

K

K

D

E

R

K

P

P

K

A

C

P

G

G

P

P

R

F

D

D

A

A

I

I

V

V

R

R

P

P

T

L

C

A

L

V

A

A

P

P

C
|
C

T
|
T

S
|
S

D

D

V

I

H
|
H

T

T

V

V

W

F

E

E

G

G

A

A

I

I

G

G

D

E

R

R

H

H

N

N

M

M

I

I

L

L

G

G

H
|
H

E
|
E

A

A

V

V

G

G

I

E

V

V

D

V

E

E

V

V

G

G

T

S

E

E

V

V

K

K

D

D

F

F

K

K

P

P

G

G

D

D

R

R

V

V

I

V

V

V

P

P

A

A

I

I

T

T

P

P

D
|
D

W

W

D

R

S
x
T

E

S

A

E

V
|
V

Q

Q

R

R

G

G

F

Y

P

H

S

Q

Q

H

T
x
S

G

G

G

G

A

M

C

L

G

A

G

G

W

W

K

K

Y

F

S

S

N

N

F

V

K

K

D

D

G

G

V

V

F

F

G

G

E

E

F

F

F

F

H

H

V

V

N

N

L

D

A

A

D

D

N

M

N

N

L

L

A

A

H

H

L

L

P

P

E

K

G

E

M

I

S

P

Q

L

E

E

A

A

A

A

V

V

M

M

I

I

T

P

D
|
D

M

M

M

M

S

T

T
|
T

G

G

F

F

M

H

G

G

A

A

E

E

N

L

A

A

G

D

I

I

E

Q

L

M

G

G

S

S

T

S

V

V

A

V

V

V

L

I

G

G

I

I

G

G

A

A

V

V

G

G

L

L

C

M

G

G

I

I

A

A

G

G

A

A

K

K

L

L

R

R

G

G

A

A

G

G

R

R

I

I

F

I

A

G

V

V

G

G

T

S

R

R

P

P

V

I

S

C

V

V

E

E

V

A

A

A

K

K

K

F

Y

Y

G

G

A

A

T

T

D

D

I

I

I

L

S

N

Y

Y

R

K

D

N

G

G

D

H

T

I

A

V

E

D

Q

Q

I

V

L

M

D

K

A

L

T

T

D

N

G

G

E

K

G

G

V

V

D

D

A

R

V

V

I

I

I

M

S

A

G

G

G

G

G

G

P

S

D

E

I

T

L

L

I

S

D

Q

A

A

C

V

K

S

M

M

A

V

K

K

A

P

G

G

S

G

K

I

I

I

S

S

N

N

N

I

N

N

Y

Y

F

H

G

G

K

S

G

G

E

-

G

-

E

-

K

-

D

D

T

A

L

L

P

L

L

I

C

P

R

R

V

V

G

E

W

W

G

G

F

C

G

G

M

M

A

A

D

H

K

K

D

T

I

I

I

K

T

G

G

G

L

L

C

C

P

P

G

G

G

G

R

R

V

L

R

R

M

M

E

E

R

R

L

L

A

I

D

D

I

L

V

V

T

F

Y

Y

G

K

R

R

M

V

D

D

P

P

E

S

L

K

L

L

V

V

T

T

H

H

K

V

F

F

K

R

G

G

F

F

D

D

K

N

I

I

E

E

E

K

A

A

L

F

L

M

L

L

M

M

K

K

E

D

K

K

P

P

R

K

D

D

L

L

I

I

K
|
K

P

P

V

V

V

V

L

I

L

L

active site: C37 (= C37), T38 (= T38), S39 (= S39), H42 (= H42), H59 (= H59), E60 (= E60), D89 (= D89), T92 (≠ S92), V95 (= V95), S103 (≠ T103), D150 (= D150), T154 (= T154), K346 (= K350)
binding zinc ion: C37 (= C37), H59 (= H59), D150 (= D150)

7xy9A Cryo-em structure of secondary alcohol dehydrogenases tbsadh after carrier-free immobilization based on weak intermolecular interactions (see paper)
66% identity, 99% coverage: 2:355/356 of query aligns to 3:344/344 of 7xy9A

query
sites
7xy9A

K

K

G

G

F

F

A

A

M

M

L

L

K

S

I

I

G

G

E

K

T

V

G

G

W

W

I

I

E

E

K

K

D

E

R

K

P

P

K

A

C

P

G

G

P

P

R

F

D

D

A

A

I

I

V

V

R

R

P

P

T

L

C

A

L

V

A

A

P

P

C
|
C

T

T

S

S

D

D

V

I

H

H

T

T

V

V

W

F

E

E

G

G

A

A

I

I

G

G

D

E

R

R

H

H

N

N

M

M

I

I

L

L

G

G

H
|
H

E
|
E

A

A

V

V

G

G

I

E

V

V

D

V

E

E

V

V

G

G

T

S

E

E

V

V

K

K

D

D

F

F

K

K

P

P

G

G

D

D

R

R

V

V

I

V

V

V

P

P

A

A

I

N

T

T

P

P

D

D

W

W

D

R

S

T

E

S

A

E

V

V

Q

Q

R

R

G

G

F

Y

P
x
H

S

Q

Q
x
H

T

S

G

G

G

G

A

M

C

L

G

A

G

G

W

W

K

K

Y

F

S

S

N

N

F

V

K

K

D

D

G

G

V

V

F

F

G

G

E

E

F

F

F

F

H

H

V

V

N

N

L

D

A

A

D

D

N

M

N

N

L

L

A

A

H

H

L

L

P

P

E

K

G

E

M

I

S

P

Q

L

E

E

A

A

A

A

V

V

M

M

I

I

T

P

D
|
D

M

M

M

M

S

T

T

T

G

G

F

F

M
x
H

G

G

A

A

E

E

N

L

A

A

G

D

I

I

E

E

L

L

G

G

S

A

T

T

V

V

A

A

V

V

L

L

G

G

I

I

G

G

A

P

V

V

G

G

L

L

C

M

G

A

I

V

A

A

G

G

A

A

K

K

L

L

R

R

G

G

A

A

G

G

R

R

I

I

F

I

A

A

V

V

G

G

T

S

R

R

P

P

V

V

S

C

V

V

E

D

V

A

A

A

K

K

K

Y

Y

Y

G

G

A

A

T

T

D

D

I

I

I

V

S

N

Y

Y

R

K

D

D

G

G

D

P

T

I

A

E

E

S

Q

Q

I

I

L

M

D

N

A

L

T

T

D

E

G

G

E

K

G

G

V

V

D

D

A

A

V

A

I

I

I

I

S

A

G

G

G

G

G

N

P

A

D

D

I

I

L

M

I

A

D

T

A

A

C

V

K

K

M

I

A

V

K

K

A

P

G

G

S

G

K

T

I

I

S

A

N

N

N

V

N

N

Y

Y

F

F

G

-

K

-

G

-

E

-

G

-

E

-

K

-

D

-

T

-

L

-

P

-

L

-

C

P

R

R

V

L

G

E

W

W

G

G

F

C

G

G

M

M

A

A

D

H

K

K

D

T

I

I

I

K

T

G

G

G

L

L

C
|
C

P

P

G
|
G

G
|
G

R

R

V
x
L

R
|
R

M

M

E

E

R

R

L

L

A

I

D

D

I

L

V

V

T

F

Y

Y

G

K

R

R

M

V

D

D

P

P

E

S

L

K

L

L

V

V

T

T

H

H

K

V

F

F

K

R

G

G

F

F

D

D

K

N

I

I

E

E

E

K

A

A

L

F

L

M

L

L

M

M

K

K

E

D

K

K

P

P

R

K

D

D

L

L

I

I

K

K

P

P

V

V

V

V

L

I

L

L

binding magnesium ion: H101 (≠ P100), H103 (≠ Q102), H158 (≠ M157), C288 (= C299), G290 (= G301), G291 (= G302), L293 (≠ V304), R294 (= R305)
binding zinc ion: C38 (= C37), H60 (= H59), E61 (= E60), D151 (= D150)

3fpcA Chimera of alcohol dehydrogenase by exchange of the cofactor binding domain res 153-294 of t. Brockii adh by e. Histolytica adh (see paper)
65% identity, 100% coverage: 1:355/356 of query aligns to 1:351/352 of 3fpcA

query
sites
3fpcA

M

M

K

K

G

G

F

F

A

A

M

M

L

L

K

S

I

I

G

G

E

K

T

V

G

G

W

W

I

I

E

E

K

K

D

E

R

K

P

P

K

A

C

P

G

G

P

P

R

F

D

D

A

A

I

I

V

V

R

R

P

P

T

L

C

A

L

V

A

A

P

P

C
|
C

T
|
T

S
|
S

D

D

V

I

H
|
H

T

T

V

V

W

F

E

E

G

G

A

A

I

I

G

G

D

E

R

R

H

H

N

N

M

M

I

I

L

L

G

G

H
|
H

E
|
E

A

A

V

V

G

G

I

E

V

V

D

V

E

E

V

V

G

G

T

S

E

E

V

V

K

K

D

D

F

F

K

K

P

P

G

G

D

D

R

R

V

V

I

V

V

V

P

P

A

A

I

I

T

T

P

P

D
|
D

W

W

D

R

S
x
T

E

S

A

E

V
|
V

Q

Q

R

R

G

G

F

Y

P

H

S

Q

Q

H

T
x
S

G

G

G

G

A

M

C

L

G

A

G

G

W

W

K

K

Y

F

S

S

N

N

F

V

K

K

D

D

G

G

V

V

F

F

G

G

E

E

F

F

F

F

H

H

V

V

N

N

L

D

A

A

D

D

N

M

N

N

L

L

A

A

H

H

L

L

P

P

E

K

G

E

M

I

S

P

Q

L

E

E

A

A

A

A

V

V

M

M

I

I

T

P

D
|
D

M

M

M

M

S

T

T
|
T

G

G

F

F

M

H

G

G

A

A

E

E

N

L

A

A

G

N

I

I

E

K

L

L

G

G

S

D

T

T

V

V

A

C

V

V

L

I

G

G

I

I

G

G

A

P

V

V

G

G

L

L

C

M

G

S

I

V

A

A

G

G

A

A

K

N

L

H

R

L

G

G

A

A

G

G

R

R

I

I

F

F

A

A

V

V

G

G

T

S

R

R

P

K

V

H

S

C

V

C

E

D

V

I

A

A

K

L

K

E

Y

Y

G

G

A

A

T

T

D

D

I

I

I

I

S

N

Y

Y

R

K

D

N

G

G

D

D

T

I

A

V

E

E

Q

Q

I

I

L

L

D

K

A

A

T

T

D

D

G

G

E

K

G

G

V

V

D

D

A

K

V

V

I

V

I

I

S

A

G

G

G

G

G

D

P

V

D

H

I

T

L

F

I

A

D

Q

A

A

C

V

K

K

M

M

A

I

K

K

A

P

G

G

S

S

K

D

I

I

S

G

N

N

N

V

N

N

Y

Y

F

L

G

G

K

E

G

G

E

-

G

-

E

-

K

-

D

D

T

N

L

I

P

D

L

I

C

P

R

R

V

S

G

E

W

W

G

G

F

V

G

G

M

M

A

G

D

H

K

K

D

H

I

I

I

H

T

G

G

G

L

L

C

C

P

P

G

G

G

G

R

R

V

L

R

R

M

M

E

E

R

R

L

L

A

I

D

D

I

L

V

V

T

F

Y

Y

G

K

R

R

M

V

D

D

P

P

E

S

L

K

L

L

V

V

T

T

H

H

K

V

F

F

K

R

G

G

F

F

D

D

K

N

I

I

E

E

E

K

A

A

L

F

L

M

L

L

M

M

K

K

E

D

K

K

P

P

R

K

D

D

L

L

I

I

K
|
K

P

P

V

V

V

V

L

I

L

L

active site: C37 (= C37), T38 (= T38), S39 (= S39), H42 (= H42), H59 (= H59), E60 (= E60), D89 (= D89), T92 (≠ S92), V95 (= V95), S103 (≠ T103), D150 (= D150), T154 (= T154), K346 (= K350)
binding zinc ion: C37 (= C37), H59 (= H59), D150 (= D150)

3fplA Chimera of alcohol dehydrogenase by exchange of the cofactor binding domain res 153-295 of c. Beijerinckii adh by t. Brockii adh (see paper)
66% identity, 100% coverage: 1:355/356 of query aligns to 1:351/351 of 3fplA

query
sites
3fplA

M

M

K

K

G

G

F

F

A

A

M

M

L

L

K

G

I

I

G

N

E

K

T

L

G

G

W

W

I

I

E

E

K

K

D

E

R

R

P

P

K

V

C

A

G

G

P

S

R

Y

D

D

A

A

I

I

V

V

R

R

P

P

T

L

C

A

L

V

A

S

P

P

C
|
C

T
|
T

S
|
S

D

D

V

I

H
|
H

T

T

V

V

W

F

E

E

G

G

A

A

I

L

G

G

D

D

R

R

H

K

N

N

M

M

I

I

L

L

G

G

H
|
H

E
|
E

A

A

V

V

G

G

I

E

V

V

D

V

E

E

V

V

G

G

T

S

E

E

V

V

K

K

D

D

F

F

K

K

P

P

G

G

D

D

R

R

V

V

I

I

V

V

P

P

A

C

I

T

T

T

P

P

D
|
D

W

W

D

R

S
|
S

E

L

A

E

V
|
V

Q

Q

R

A

G

G

F

F

P

Q

S

Q

Q

H

T
x
S

G

N

G

G

A

M

C

L

G

A

G

G

W

W

K

K

Y

F

S

S

N

N

F

F

K

K

D

D

G

G

V

V

F

F

G

G

E

E

F

Y

F

F

H

H

V

V

N

N

L

D

A

A

D

D

N

M

N

N

L

L

A

A

H

I

L

L

P

P

E

K

G

D

M

M

S

P

Q

L

E

E

A

N

A

A

V

V

M

M

I

I

T

T

D
|
D

M

M

M

M

S

T

T
|
T

G

G

F

F

M

H

G

G

A

A

E

E

N

L

A

A

G

D

I

I

E

E

L

L

G

G

S

A

T

T

V

V

A

A

V

V

L

L

G

G

I

I

G

G

A

P

V

V

G

G

L

L

C

M

G

A

I

V

A

A

G

G

A

A

K

K

L

L

R

R

G

G

A

A

G

G

R

R

I

I

F

I

A

A

V

V

G

G

T

S

R

R

P

P

V

V

S

C

V

V

E

D

V

A

A

A

K

K

K

Y

Y

Y

G

G

A

A

T

T

D

D

I

I

I

V

S

N

Y

Y

R

K

D

D

G

G

D

P

T

I

A

E

E

S

Q

Q

I

I

L

M

D

N

A

L

T

T

D

E

G

G

E

K

G

G

V

V

D

D

A

A

V

A

I

I

I

I

S

A

G

G

G

G

G

N

P

A

D

D

I

I

L

M

I

A

D

T

A

A

C

V

K

K

M

I

A

V

K

K

A

P

G

G

S

G

K

T

I

I

S

A

N

N

N

V

N

N

Y

Y

F

F

G

G

K

E

G

G

E

E

G

-

E

-

K

-

D

-

T

V

L

L

P

P

L

V

C

P

R

R

V

L

G

E

W

W

G

G

F

C

G

G

M

M

A

A

D

H

K

K

D

T

I

I

I

K

T

G

G

G

L

L

C

C

P

P

G

G

G

G

R

R

V

L

R

R

M

A

E

E

R

M

L

L

A

R

D

D

I

M

V

V

T

V

Y

Y

G

N

R

R

M

V

D

D

P

L

E

S

L

K

L

L

V

V

T

T

H

H

K

V

F

Y

K

H

G

G

F

F

D

D

K

H

I

I

E

E

E

E

A

A

L

L

L

L

L

L

M

M

K

K

E

D

K

K

P

P

R

K

D

D

L

L

I

I

K
|
K

P

A

V

V

V

V

L

I

L

L

active site: C37 (= C37), T38 (= T38), S39 (= S39), H42 (= H42), H59 (= H59), E60 (= E60), D89 (= D89), S92 (= S92), V95 (= V95), S103 (≠ T103), D150 (= D150), T154 (= T154), K346 (= K350)
binding zinc ion: C37 (= C37), H59 (= H59), D150 (= D150)

1kevA Structure of NADP-dependent alcohol dehydrogenase (see paper)
65% identity, 100% coverage: 1:355/356 of query aligns to 1:351/351 of 1kevA

query
sites
1kevA

M

M

K

K

G

G

F

F

A

A

M

M

L

L

K

G

I

I

G

N

E

K

T

L

G

G

W

W

I

I

E

E

K

K

D

E

R

R

P

P

K

V

C

A

G

G

P

S

R

Y

D

D

A

A

I

I

V

V

R

R

P

P

T

L

C

A

L

V

A

S

P

P

C
|
C

T
|
T

S
|
S

D

D

V

I

H
|
H

T

T

V

V

W

F

E

E

G

G

A

A

I

L

G

G

D

D

R

R

H

K

N

N

M

M

I

I

L

L

G

G

H
|
H

E
|
E

A

A

V

V

G

G

I

E

V

V

D

V

E

E

V

V

G

G

T

S

E

E

V

V

K

K

D

D

F

F

K

K

P

P

G

G

D

D

R

R

V

V

I

I

V

V

P

P

A

C

I

T

T

T

P

P

D
|
D

W

W

D

R

S
|
S

E

L

A

E

V
|
V

Q

Q

R

A

G

G

F

F

P

Q

S

Q

Q

H

T
x
S

G

N

G

G

A

M

C

L

G

A

G

G

W

W

K

K

Y

F

S

S

N

N

F

F

K

K

D

D

G

G

V

V

F

F

G

G

E

E

F

Y

F

F

H

H

V

V

N

N

L

D

A

A

D

D

N

M

N

N

L

L

A

A

H

I

L

L

P

P

E

K

G

D

M

M

S

P

Q

L

E

E

A

N

A

A

V

V

M

M

I

I

T

T

D
|
D

M

M

M

M

S

T

T
|
T

G

G

F

F

M

H

G

G

A

A

E

E

N

L

A

A

G

D

I

I

E

Q

L

M

G

G

S

S

T

S

V

V

A

V

V

V

L

I

G

G

I
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I

G
|
G

A

A

V
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V

G

G

L

L

C

M

G

G

I

I

A

A

G

G

A

A

K

K

L

L

R

R

G

G

A

A

G

G

R

R

I

I

F

I

A

G

V

V

G

G

T
x
S

R
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R

P

P

V

I

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C

V

V

E

E

V

A

A

A

K

K

K

F

Y

Y

G

G

A

A

T

T

D

D

I

I

I

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S

N

Y
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Y

R

K

D

N

G

G

D

H

T

I

A

V

E

D

Q

Q

I

V

L

M

D

K

A

L

T

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D

N

G

G

E

K

G

G

V

V

D

D

A

R

V

V

I

I

I

M

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x
A

G

G

G
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G

G

G

P

S

D

E

I

T

L

L

I

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D

Q

A

A

C

V

K

S

M

M

A

V

K

K

A

P

G

G

S

G

K

I

I

I

S

S

N

N

N

I

N
|
N

Y
|
Y

F

H

G

G

K

S

G

G

E

-

G

-

E

-

K

-

D

D

T

A

L

L

P

L

L

I

C

P

R

R

V

V

G

E

W

W

G

G

F

C

G

G

M

M

A

A

D

H

K

K

D

T

I

I

I

K

T

G

G

G

L

L

C

C

P

P

G

G

G

G

R

R

V

L

R

R

M

A

E

E

R

M

L

L

A

R

D

D

I

M

V

V

T

V

Y

Y

G

N

R

R

M

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D

D

P

L

E

S

L

K

L

L

V

V

T

T

H

H

K

V

F

Y

K

H

G

G

F

F

D

D

K

H

I

I

E

E

E

E

A

A

L

L

L

L

L

L

M

M

K

K

E

D

K
|
K

P

P

R

K

D

D

L

L

I

I

K
|
K

P

A

V

V

V

V

L

I

L

L

active site: C37 (= C37), T38 (= T38), S39 (= S39), H42 (= H42), H59 (= H59), E60 (= E60), D89 (= D89), S92 (= S92), V95 (= V95), S103 (≠ T103), D150 (= D150), T154 (= T154), K346 (= K350)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: T38 (= T38), D150 (= D150), I175 (= I175), G176 (= G176), V178 (= V178), S199 (≠ T199), R200 (= R200), Y218 (= Y218), A242 (≠ S242), G244 (= G244), N266 (= N266), Y267 (= Y267), K340 (= K344)
binding zinc ion: C37 (= C37), H59 (= H59), D150 (= D150)

P25984 NADP-dependent isopropanol dehydrogenase; CbADH; EC 1.1.1.80 from Clostridium beijerinckii (Clostridium MP) (see 3 papers)
65% identity, 100% coverage: 1:355/356 of query aligns to 1:351/351 of P25984

query
sites
P25984

M

M

K

K

G

G

F

F

A

A

M

M

L

L

K

G

I

I

G

N

E

K

T

L

G

G

W

W

I

I

E

E

K

K

D

E

R

R

P

P

K

V

C

A

G

G

P

S

R

Y

D

D

A

A

I

I

V

V

R

R

P

P

T

L

C

A

L

V

A

S

P

P

C
|
C

T

T

S

S

D

D

V

I

H

H

T

T

V

V

W

F

E

E

G

G

A

A

I

L

G

G

D

D

R

R

H

K

N

N

M

M

I

I

L

L

G

G

H
|
H

E
|
E

A

A

V

V

G

G

I

E

V

V

D

V

E

E

V

V

G

G

T

S

E

E

V

V

K

K

D

D

F

F

K

K

P

P

G

G

D

D

R

R

V

V

I

I

V

V

P

P

A

C

I

T

T

T

P

P

D

D

W

W

D

R

S

S

E

L

A

E

V

V

Q

Q

R

A

G

G

F

F

P

Q

S

Q

Q

H

T

S

G

N

G

G

A

M

C

L

G

A

G

G

W

W

K

K

Y

F

S

S

N

N

F

F

K

K

D

D

G

G

V

V

F

F

G

G

E

E

F

Y

F

F

H

H

V

V

N

N

L

D

A

A

D

D

N

M

N

N

L

L

A

A

H

I

L

L

P

P

E

K

G

D

M

M

S

P

Q

L

E

E

A

N

A

A

V

V

M

M

I

I

T

T

D
|
D

M

M

M

M

S

T

T

T

G

G

F

F

M

H

G

G

A

A

E

E

N

L

A

A

G

D

I

I

E

Q

L

M

G

G

S

S

T

S

V

V

A

V

V

V

L

I

G

G

I
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I

G
|
G

A
|
A

V
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V

G

G

L

L

C

M

G

G

I

I

A

A

G

G

A

A

K

K

L

L

R

R

G

G

A

A

G

G

R

R

I

I

F

I

A

G

V

V

G
|
G

T
x
S

R
|
R

P

P

V

I

S

C

V

V

E

E

V

A

A

A

K

K

K

F

Y

Y

G

G

A

A

T

T

D

D

I

I

I

L

S

N

Y
|
Y

R

K

D

N

G

G

D

H

T

I

A

V

E

D

Q

Q

I

V

L

M

D

K

A

L

T

T

D

N

G

G

E

K

G

G

V

V

D

D

A

R

V

V

I

I

I

M

S

A

G

G

G

G

G

G

P

S

D

E

I

T

L

L

I

S

D

Q

A

A

C

V

K

S

M

M

A

V

K

K

A

P

G

G

S

G

K

I

I

I

S

S

N

N

N
x
I

N
|
N

Y
|
Y

F

H

G

G

K

S

G

G

E

-

G

-

E

-

K

-

D

D

T

A

L

L

P

L

L

I

C

P

R

R

V

V

G

E

W

W

G

G

F

C

G

G

M

M

A

A

D

H

K

K

D

T

I

I

I

K

T

G

G

G

L

L

C

C

P

P

G

G

G

G

R

R

V

L

R

R

M

A

E

E

R

M

L

L

A

R

D

D

I

M

V

V

T

V

Y

Y

G

N

R

R

M

V

D

D

P

L

E

S

L

K

L

L

V

V

T

T

H

H

K

V

F

Y

K

H

G

G

F

F

D

D

K

H

I

I

E

E

E

E

A

A

L

L

L

L

L

L

M

M

K

K

E

D

K
|
K

P

P

R

K

D

D

L

L

I

I

K

K

P

A

V

V

V

V

L

I

L

L

C37 (= C37) binding Zn(2+)
H59 (= H59) binding Zn(2+)
E60 (= E60) binding Zn(2+)
D150 (= D150) binding Zn(2+)
IGAV 175:178 (= IGAV 175:178) binding NADP(+)
GSR 198:200 (≠ GTR 198:200) binding NADP(+)
Y218 (= Y218) binding NADP(+)
INY 265:267 (≠ NNY 265:267) binding NADP(+)
K340 (= K344) binding NADP(+)

6schC Nadh-dependent variant of cbadh (see paper)
64% identity, 100% coverage: 1:356/356 of query aligns to 1:352/355 of 6schC

query
sites
6schC

M

M

K

K

G

G

F

F

A

A

M

M

L

L

K

G

I

I

G

N

E

K

T

L

G

G

W

W

I

I

E

E

K

K

D

E

R

R

P

P

K

V

C

A

G

G

P

S

R

Y

D

D

A

A

I

I

V

V

R

R

P

P

T

L

C

A

L

V

A

S

P

P

C
|
C

T
|
T

S
|
S

D

D

V

I

H
|
H

T

T

V

V

W

F

E

E

G

G

A

A

I

L

G

G

D

D

R

R

H

K

N

N

M

M

I

I

L

L

G

G

H
|
H

E

E

A

A

V

V

G

G

I

E

V

V

D

V

E

E

V

V

G

G

T

S

E

E

V

V

K

K

D

D

F

F

K

K

P

P

G

G

D

D

R

R

V

V

I

I

V

V

P

P

A

C

I

T

T

T

P

P

D

D