SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing N515DRAFT_2489 N515DRAFT_2489 alcohol dehydrogenase, propanol-preferring 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)

6z42A The low resolution structure of a zinc-dependent alcohol dehydrogenase from halomonas elongata.
78% identity, 99% coverage: 3:341/343 of query aligns to 2:336/336 of 6z42A

query
sites
6z42A

K

S

T

T

M

M

K

K

A

S

A

A

V

V

R

R

A

T

F

F

G

R

Q

E

P

P

L

L

S

V

I

I

D

E

E

E

V

V

P

P

V

V

P

P

T

R

P

P

G

G

L

P

G

G

E

E

V

I

L

L

V

V

K

K

I

V

E

A

A

A

C

S

G

G

V

V

C
|
C

H

H

T
|
T

D

D

L

L

H
|
H

A

A

V

A

D

R

G

G

D

D

W

W

P

P

V

V

K

K

P

P

K

E

P

P

F

F

I

I

P

P

G

G

H
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H

E
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E

G

G

V

V

G

G

Y

H

V

V

A

A

I

V

G

G

P

R

G

G

V

V

T

Q

H

H

L

V

K

K

E

E

G

G

D

D

R

R

V

V

G

G

I

V

P

P

W

W

L

L

Y

Y

S

S

A

T

C
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C

G

G

H

H

C
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C

E

E

H

H

C
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C

L

L

G

G

W

W

E

E

T

T

L

L

C
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C

E

E

S

S

Q

Q

N

N

T

T

G

G

Y

Y

S

S

V

V

N

N

G

G

G

-

F

-

A

-

E

E

Y

Y

A

T

L

L

A

A

A

Q

A

A

D

D

Y

Y

V

V

G

G

H

K

L

L

P

P

D

D

G

N

I

V

G

G

F

F

V

V

E

E

I

I

A

A

P

P

V

V

L

L

C
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C

A

A

G

G

V

V

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T

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V

Y

Y

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K

G

G

L

L

K

K

V

M

T

T

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D

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R

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P

G

G

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Q

W

W

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V

I

I

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G

I

I

G

G

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L

G

G

H

H

M

M

A

A

V

V

Q

Q

Y

Y

A

A

A

R

A

A

M

M

G

G

L

L

N

N

V

V

A

A

V

V

D

D

I

V

D

D

A

A

K

K

L

L

D

A

L

L

A

A

R

E

R

R

L

L

G

G

A

A

Q

T

L

I

I

T

I

V

N

N

A

A

R

M

H

Q

A

T

D

D

P

P

V

A

A

R

V

Y

V

L

K

K

K

Q

E

T

I

I

G

G

A

A

H

H

G

G

A

A

L

L

V

V

T

T

A

A

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V

S

S

P

P

K

K

A

A

F

F

G

E

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Q

A

A

M

L

N

G

M

M

V

I

R

R

G

G

T

T

V

V

S

A

L

L

N

N

G

G

L

L

P

P

G

G

S

D

F

F

D

P

L

L

S

P

I

I

F

F

D

D

M

M

V

V

L

L

N

N

G

G

V

I

T

T

V

V

R

R

G

G

S

S

I

I

V

V

G

G

T

T

R

R

L

L

D

D

L

L

Q

Q

E

E

S

A

L

L

D

D

F

F

A

A

K

G

A

E

G

G

K

K

V

V

K

Q

A

A

T

T

V

V

T

K

T

T

D

E

R

K

L

L

E

E

N

N

I

I

N

N

E

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V

F

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R

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M

M

H

T

Q

Q

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G

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H

I

I

E

-

G

G

R

R

V

I

V

V

L

L

D

D

M

L

A

A

active site: C41 (= C42), T43 (= T44), H46 (= H47), H64 (= H65), C148 (= C152)
binding zinc ion: C41 (= C42), H64 (= H65), E65 (= E66), C95 (= C96), C98 (= C99), C101 (= C102), C109 (= C110), C148 (= C152)

3meqA Crystal structure of alcohol dehydrogenase from brucella melitensis
78% identity, 99% coverage: 3:340/343 of query aligns to 1:340/341 of 3meqA

query
sites
3meqA

K

K

T

T

M

M

K

K

A

A

V

V

R

R

A

A

F

F

G

G

Q

K

P

P

L

L

S

T

I

I

D

D

E

E

V

V

P

P

V

I

P

P

T

Q

P

P

G

G

L

P

G

G

E

Q

V

I

L

Q

V

V

K

A

I

I

E

Q

A

A

C

S

G

G

V

V

C
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C

H
|
H

T
|
T

D

D

L

L

H
|
H

A

A

V

A

D

E

G

G

D

D

W

W

P

P

V

V

K

K

P

P

K

N

P

P

F

F

I

I

P

P

G

G

H
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H

E
|
E

G

G

V

V

G

G

Y

F

V

V

V

S

A

A

I

V

G

G

P

S

G

G

V

V

T

K

H

H

L

V

K

K

E

E

G

G

D

D

R

R

V

V

G

G

I

I

P

P

W

W

L

L

Y

Y

S

T

A

A

C
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C

G

G

H

H

C
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C

E

R

H

H

C
|
C

L

L

G

G

W

W

E

E

T

T

L

L

C
|
C

E

E

S

E

Q

Q

Q
x
L

N

N

T

T

G

G

Y

Y

S

S

V

V

N

N

G

G

F

F

A

A

E

E

Y

Y

A

V

L

V

A

A

A

D

A

P

D

N

Y

F

V

V

G

G

H

H

L

L

P

P

D

K

G

N

I

I

G

D

F

F

V

N

E

E

I

I

A

A

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P

V

V

L

L

C
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C

A

A

G

G

V

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T
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T

V

V

Y

Y

K

K

G

G

L

L

K

K

V

V

T

T

D

D

T

T

R

K

P

P

G

G

N

D

W

W

V

V

I

I

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S

G

G

I

I

G
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G

L
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L

G

G

H

H

M

M

A

A

V

V

Q

Q

Y

Y

A

A

A

R

A

A

M

M

G

G

L

L

N

N

V

V

A

A

V

V

D
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D

I
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I

D

D

A

R

K
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K

L

L

D

D

L

L

A

A

R

R

L

L

G

G

A

A

Q

T

L

V

I

T

I

V

N

N

A

A

R

K

H

T

-

V

A

A

D

D

P

P

V

A

A

A

V

Y

V

I

K

R

K

K

E

E

I

T

-

D

G

G

A

A

H

Q

G

G

A

V

L

L

V

V

T
|
T

A
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A

V
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V

S
|
S

P

P

K

K

A
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A

F

F

G

E

Q

Q

A

A

M

L

N

G

M

M

V

V

R

A

R

R

G

G

T

T

V

V

S

S

L

L

N
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N

G
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G

L
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L

P

P

G

G

S

D

F

F

D

P

L

L

S

S

I

I

F

F

D

N

M

M

V

V

L

L

N

N

G

G

V

V

T

T

V

V

R

R

G

G

S

S

I
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I

V
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V

G

G

T

T

R

R

L

L

D

D

L

L

Q

Q

E

E

S

S

L

L

D

D

F

F

A

A

K

A

A

D

G

G

K

K

V

V

K

K

A

A

T

T

V

I

T

Q

T

T

D

G

R

K

L

L

E

E

N

D

I

I

N

N

E

A

V

I

F

F

R

D

M

M

H

R

Q

Q

G

G

Q

N

I

I

E

E

G

G

R
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R

V

I

V

V

L

M

D

D

M

L

active site: C40 (= C42), H41 (= H43), T42 (= T44), H45 (= H47), H63 (= H65), E64 (= E66), C94 (= C96), C97 (= C99), C100 (= C102), C108 (= C110), L112 (≠ Q114), C150 (= C152), T154 (= T156), R335 (= R335)
binding 1,4-dihydronicotinamide adenine dinucleotide: C40 (= C42), H41 (= H43), T42 (= T44), H45 (= H47), C150 (= C152), T154 (= T156), G176 (= G178), G177 (= G179), L178 (= L180), D197 (= D199), I198 (= I200), K202 (= K204), T241 (= T241), A242 (= A242), V243 (= V243), S244 (= S244), A247 (= A247), N264 (= N264), G265 (= G265), L266 (= L266), I289 (= I289), V290 (= V290)
binding zinc ion: C40 (= C42), H63 (= H65), C94 (= C96), C97 (= C99), C100 (= C102), C108 (= C110), C150 (= C152)

3s2fE Crystal structure of furx nadh:furfural
77% identity, 98% coverage: 5:341/343 of query aligns to 3:339/340 of 3s2fE

query
sites
3s2fE

M

M

K

K

A

A

V

V

R

R

A

A

F

F

G

G

Q

A

P

P

L

L

S

T

I

I

D

D

E

E

V

V

P

P

V

V

P

P

T

Q

P

P

G

G

L

P

G

G

E

Q

V

V

L

Q

V

V

K

K

I

I

E

E

A

A

C

S

G

G

V

V

C
|
C

H
|
H

T
|
T

D

D

L

L

H
|
H

A

A

V

A

D

D

G

G

D

D

W
|
W

P

P

V

V

K

K

P

P

K

T

P

L

P

P

F

F

I

I

P

P

G

G

H
|
H

E
|
E

G

G

V

V

G

G

Y

Y

V

V

V

S

A

A

I

V

G

G

P

S

G

G

V

V

T

S

H

R

L

V

K

K

E

E

G

G

D

D

R

R

V

V

G

G

I

V

P

P

W
|
W

L

L

Y

Y

S

S

A

A

C
|
C

G

G

H

Y

C
|
C

E

E

H

H

C
|
C

L

L

G

Q

G

G

W

W

E

E

T

T

L

L

C
|
C

E

E

S

K

Q

Q

Q
|
Q

N

N

T

T

G

G

Y

Y

S

S

V

V

N

N

G

G

F

Y

A

G

E

E

Y

Y

A

V

L

V

A

A

A

D

A

P

D

N

Y

Y

V

V

G

G

H

L

L

L

P

P

D

D

G

K

I

V

G

G

F

F

V

V

E

E

I

I

A

A

P

P

V

I

L

L

C
|
C

A

A

G

G

V

V

T
|
T

V

V

Y

Y

K

K

G

G

L

L

K

K

V

V

T

T

D

D

T

T

R

R

P

P

G

G

N

Q

W

W

V

V

I

I

S

S

G
|
G

I

I

G
|
G

L
|
L

G

G

H

H

M

V

A

A

V

V

Q

Q

Y

Y

A

A

A

R

A

A

M

M

G

G

L

L

N

R

V

V

A

A

V

V

D
|
D

I
|
I

D

D

A

A

K
|
K

L

L

D

N

L

L

A

A

R

R

L

L

G

G

A

A

Q

E

L

V

I

A

I

V

N

N

A

A

R

R

H

D

A

T

D

D

P

P

V

A

A

A

V

W

V

L

K

Q

K

K

E

E

I

I

G

G

A

A

H

H

G

G

A

V

L

L

V

V

T
|
T

A
|
A

V
|
V

S

S

P

P

K

K

A

A

F

F

G

S

Q

Q

A

A

M

I

N

G

M

M

V

V

R

R

G

G

T

T

V

I

S

A

L

L

N
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N

G
|
G

L
|
L

P

P

G

G

S

D

F

F

D

G

L

T

S

P

I

I

F

F

D

D

M

V

V

V

L

L

N

K

G

G

V

I

T

T

V

I

R

R

G

G

S

S

I
|
I

V
|
V

G

G

T

T

R

R

L

S

D

D

L

L

Q

Q

E

E

S

S

L

L

D

D

F

F

A

A

K

A

A

H

G

G

K

D

V

V

K

K

A

A

T

T

V

V

T

S

T

T

D

A

R

K

L

L

E

D

N

D

I

V

N

N

E

D

V

V

F

F

R

G

R

R

M

L

H

R

Q

E

G

G

Q

K

I

V

E

E

G

G

R
|
R

V

V

L

L

D

D

M

F

A

S

active site: C40 (= C42), H41 (= H43), T42 (= T44), H45 (= H47), H63 (= H65), E64 (= E66), C94 (= C96), C97 (= C99), C100 (= C102), C108 (= C110), Q112 (= Q114), C150 (= C152), T154 (= T156), R333 (= R335)
binding furfural: T42 (= T44), W51 (= W53), H63 (= H65), W89 (= W91), C150 (= C152), I287 (= I289)
binding nicotinamide-adenine-dinucleotide: C40 (= C42), H41 (= H43), T42 (= T44), C150 (= C152), T154 (= T156), G174 (= G176), G176 (= G178), G177 (= G179), L178 (= L180), D197 (= D199), I198 (= I200), K202 (= K204), T239 (= T241), A240 (= A242), V241 (= V243), N262 (= N264), G263 (= G265), L264 (= L266), I287 (= I289), V288 (= V290), R333 (= R335)
binding zinc ion: C40 (= C42), H63 (= H65), C94 (= C96), C97 (= C99), C100 (= C102), C108 (= C110), C150 (= C152)

3s2fA Crystal structure of furx nadh:furfural
77% identity, 98% coverage: 5:341/343 of query aligns to 3:339/340 of 3s2fA

query
sites
3s2fA

M

M

K

K

A

A

V

V

R

R

A

A

F

F

G

G

Q

A

P

P

L

L

S

T

I

I

D

D

E

E

V

V

P

P

V

V

P

P

T

Q

P

P

G

G

L

P

G

G

E

Q

V

V

L

Q

V

V

K

K

I

I

E

E

A

A

C

S

G

G

V

V

C
|
C

H
|
H

T
|
T

D

D

L

L

H
|
H

A

A

V

A

D

D

G

G

D

D

W

W

P

P

V

V

K

K

P

P

K

T

P

L

P

P

F

F

I

I

P

P

G

G

H
|
H

E
|
E

G

G

V

V

G

G

Y

Y

V

V

V

S

A

A

I

V

G

G

P

S

G

G

V

V

T

S

H

R

L

V

K

K

E

E

G

G

D

D

R

R

V

V

G

G

I

V

P

P

W
|
W

L

L

Y

Y

S

S

A

A

C
|
C

G

G

H

Y

C
|
C

E

E

H

H

C
|
C

L

L

G

Q

G

G

W

W

E

E

T

T

L

L

C
|
C

E

E

S

K

Q

Q

Q
|
Q

N

N

T

T

G

G

Y

Y

S

S

V

V

N

N

G

G

F

Y

A

G

E

E

Y

Y

A

V

L

V

A

A

A

D

A

P

D

N

Y

Y

V

V

G

G

H

L

L

L

P

P

D

D

G

K

I

V

G

G

F

F

V

V

E

E

I

I

A

A

P

P

V

I

L

L

C
|
C

A

A

G

G

V

V

T
|
T

V

V

Y

Y

K

K

G

G

L

L

K

K

V

V

T

T

D

D

T

T

R

R

P

P

G

G

N

Q

W

W

V

V

I

I

S

S

G

G

I

I

G

G

L

L

G

G

H

H

M

V

A

A

V

V

Q

Q

Y

Y

A

A

A

R

A

A

M

M

G

G

L

L

N

R

V

V

A

A

V

V

D

D

I

I

D

D

A

A

K

K

L

L

D

N

L

L

A

A

R

R

L

L

G

G

A

A

Q

E

L

V

I

A

I

V

N

N

A

A

R

R

H

D

A

T

D

D

P

P

V

A

A

A

V

W

V

L

K

Q

K

K

E

E

I

I

G

G

A

A

H

H

G

G

A

V

L

L

V

V

T

T

A

A

V

V

S

S

P

P

K

K

A

A

F

F

G

S

Q

Q

A

A

M

I

N

G

M

M

V

V

R

R

G

G

T

T

V

I

S

A

L

L

N

N

G

G

L

L

P

P

G

G

S

D

F

F

D

G

L

T

S

P

I

I

F

F

D

D

M

V

V

V

L

L

N

K

G

G

V

I

T

T

V

I

R

R

G

G

S

S

I
|
I

V

V

G

G

T

T

R

R

L

S

D

D

L

L

Q

Q

E

E

S

S

L

L

D

D

F

F

A

A

K

A

A

H

G

G

K

D

V

V

K

K

A

A

T

T

V

V

T

S

T

T

D

A

R

K

L

L

E

D

N

D

I

V

N

N

E

D

V

V

F

F

R

G

R

R

M

L

H

R

Q

E

G

G

Q

K

I

V

E

E

G

G

R
|
R

V

V

L

L

D

D

M

F

A

S

active site: C40 (= C42), H41 (= H43), T42 (= T44), H45 (= H47), H63 (= H65), E64 (= E66), C94 (= C96), C97 (= C99), C100 (= C102), C108 (= C110), Q112 (= Q114), C150 (= C152), T154 (= T156), R333 (= R335)
binding phosphorylisopropane: T42 (= T44), H63 (= H65), W89 (= W91), I287 (= I289)
binding zinc ion: C40 (= C42), H63 (= H65), E64 (= E66), C94 (= C96), C97 (= C99), C100 (= C102), C108 (= C110), C150 (= C152)

3s2eE Crystal structure of furx nadh complex 1
77% identity, 98% coverage: 5:341/343 of query aligns to 3:339/340 of 3s2eE

query
sites
3s2eE

M

M

K

K

A

A

V

V

R

R

A

A

F

F

G

G

Q

A

P

P

L

L

S

T

I

I

D

D

E

E

V

V

P

P

V

V

P

P

T

Q

P

P

G

G

L

P

G

G

E

Q

V

V

L

Q

V

V

K

K

I

I

E

E

A

A

C

S

G

G

V

V

C
|
C

H
|
H

T
|
T

D

D

L

L

H
|
H

A

A

V

A

D

D

G

G

D

D

W

W

P

P

V

V

K

K

P

P

K

T

P

L

P

P

F

F

I

I

P

P

G

G

H
|
H

E
|
E

G

G

V

V

G

G

Y

Y

V

V

V

S

A

A

I

V

G

G

P

S

G

G

V

V

T

S

H

R

L

V

K

K

E

E

G

G

D

D

R

R

V

V

G

G

I

V

P

P

W

W

L

L

Y

Y

S

S

A

A

C
|
C

G

G

H

Y

C
|
C

E

E

H

H

C
|
C

L

L

G

Q

G

G

W

W

E

E

T

T

L

L

C
|
C

E

E

S

K

Q

Q

Q
|
Q

N

N

T

T

G

G

Y

Y

S

S

V

V

N

N

G

G

F

Y

A

G

E

E

Y

Y

A

V

L

V

A

A

A

D

A

P

D

N

Y

Y

V

V

G

G

H

L

L

L

P

P

D

D

G

K

I

V

G

G

F

F

V

V

E

E

I

I

A

A

P

P

V

I

L

L

C
|
C

A

A

G

G

V

V

T
|
T

V

V

Y

Y

K

K

G

G

L

L

K

K

V

V

T

T

D

D

T

T

R

R

P

P

G

G

N

Q

W

W

V

V

I

I

S

S

G

G

I

I

G
|
G

L
|
L

G

G

H

H

M

V

A

A

V

V

Q

Q

Y

Y

A

A

A

R

A

A

M

M

G

G

L

L

N

R

V

V

A

A

V

V

D
|
D

I
|
I

D

D

A

A

K
|
K

L

L

D

N

L

L

A

A

R

R

L

L

G

G

A

A

Q

E

L

V

I

A

I

V

N

N

A

A

R

R

H

D

A

T

D

D

P

P

V

A

A

A

V

W

V

L

K

Q

K

K

E

E

I

I

G

G

A

A

H

H

G

G

A

V

L

L

V

V

T
|
T

A
|
A

V
|
V

S
|
S

P

P

K

K

A
|
A

F

F

G

S

Q

Q

A

A

M

I

N

G

M

M

V

V

R

R

G

G

T

T

V

I

S

A

L

L

N
|
N

G
|
G

L
|
L

P

P

G

G

S

D

F

F

D

G

L

T

S

P

I

I

F

F

D

D

M

V

V

V

L

L

N

K

G

G

V

I

T

T

V

I

R

R

G

G

S

S

I
|
I

V
|
V

G

G

T

T

R

R

L

S

D

D

L

L

Q

Q

E

E

S

S

L

L

D

D

F

F

A

A

K

A

A

H

G

G

K

D

V

V

K

K

A

A

T

T

V

V

T

S

T

T

D

A

R

K

L

L

E

D

N

D

I

V

N

N

E

D

V

V

F

F

R

G

R

R

M

L

H

R

Q

E

G

G

Q

K

I

V

E

E

G

G

R
|
R

V

V

L

L

D

D

M

F

A

S

active site: C40 (= C42), H41 (= H43), T42 (= T44), H45 (= H47), H63 (= H65), E64 (= E66), C94 (= C96), C97 (= C99), C100 (= C102), C108 (= C110), Q112 (= Q114), C150 (= C152), T154 (= T156), R333 (= R335)
binding nicotinamide-adenine-dinucleotide: C40 (= C42), H41 (= H43), T42 (= T44), C150 (= C152), T154 (= T156), G176 (= G178), G177 (= G179), L178 (= L180), D197 (= D199), I198 (= I200), K202 (= K204), T239 (= T241), A240 (= A242), V241 (= V243), S242 (= S244), A245 (= A247), N262 (= N264), G263 (= G265), L264 (= L266), I287 (= I289), V288 (= V290)
binding zinc ion: C40 (= C42), H63 (= H65), C94 (= C96), C97 (= C99), C100 (= C102), C108 (= C110), C150 (= C152)

3s2eA Crystal structure of furx nadh complex 1
77% identity, 98% coverage: 5:341/343 of query aligns to 3:339/340 of 3s2eA

query
sites
3s2eA

M

M

K

K

A

A

V

V

R

R

A

A

F

F

G

G

Q

A

P

P

L

L

S

T

I

I

D

D

E

E

V

V

P

P

V

V

P

P

T

Q

P

P

G

G

L

P

G

G

E

Q

V

V

L

Q

V

V

K

K

I

I

E

E

A

A

C

S

G

G

V

V

C
|
C

H
|
H

T
|
T

D

D

L

L

H
|
H

A

A

V

A

D

D

G

G

D

D

W

W

P

P

V

V

K

K

P

P

K

T

P

L

P

P

F

F

I

I

P

P

G

G

H
|
H

E
|
E

G

G

V

V

G

G

Y

Y

V

V

V

S

A

A

I

V

G

G

P

S

G

G

V

V

T

S

H

R

L

V

K

K

E

E

G

G

D

D

R

R

V

V

G

G

I

V

P

P

W

W

L

L

Y

Y

S

S

A

A

C
|
C

G

G

H

Y

C
|
C

E

E

H

H

C
|
C

L

L

G

Q

G

G

W

W

E

E

T

T

L

L

C
|
C

E

E

S

K

Q

Q

Q
|
Q

N

N

T

T

G

G

Y

Y

S

S

V

V

N

N

G

G

F

Y

A

G

E

E

Y

Y

A

V

L

V

A

A

A

D

A

P

D

N

Y

Y

V

V

G

G

H

L

L

L

P

P

D

D

G

K

I

V

G

G

F

F

V

V

E

E

I

I

A

A

P

P

V

I

L

L

C
|
C

A

A

G

G

V

V

T
|
T

V

V

Y

Y

K

K

G

G

L

L

K

K

V

V

T

T

D

D

T

T

R

R

P

P

G

G

N

Q

W

W

V

V

I

I

S

S

G

G

I

I

G

G

L

L

G

G

H

H

M

V

A

A

V

V

Q

Q

Y

Y

A

A

A

R

A

A

M

M

G

G

L

L

N

R

V

V

A

A

V

V

D

D

I

I

D

D

A

A

K

K

L

L

D

N

L

L

A

A

R

R

L

L

G

G

A

A

Q

E

L

V

I

A

I

V

N

N

A

A

R

R

H

D

A

T

D

D

P

P

V

A

A

A

V

W

V

L

K

Q

K

K

E

E

I

I

G

G

A

A

H

H

G

G

A

V

L

L

V

V

T

T

A

A

V

V

S

S

P

P

K

K

A

A

F

F

G

S

Q

Q

A

A

M

I

N

G

M

M

V

V

R

R

G

G

T

T

V

I

S

A

L

L

N

N

G

G

L

L

P

P

G

G

S

D

F

F

D

G

L

T

S

P

I

I

F

F

D

D

M

V

V

V

L

L

N

K

G

G

V

I

T

T

V

I

R

R

G

G

S

S

I

I

V

V

G

G

T

T

R

R

L

S

D

D

L

L

Q

Q

E

E

S

S

L

L

D

D

F

F

A

A

K

A

A

H

G

G

K

D

V

V

K

K

A

A

T

T

V

V

T

S

T

T

D

A

R

K

L

L

E

D

N

D

I

V

N

N

E

D

V

V

F

F

R

G

R

R

M

L

H

R

Q

E

G

G

Q

K

I

V

E

E

G

G

R
|
R

V

V

L

L

D

D

M

F

A

S

active site: C40 (= C42), H41 (= H43), T42 (= T44), H45 (= H47), H63 (= H65), E64 (= E66), C94 (= C96), C97 (= C99), C100 (= C102), C108 (= C110), Q112 (= Q114), C150 (= C152), T154 (= T156), R333 (= R335)
binding zinc ion: C40 (= C42), H63 (= H65), E64 (= E66), C94 (= C96), C97 (= C99), C100 (= C102), C108 (= C110), C150 (= C152)

Q8GIX7 Alcohol dehydrogenase; ADH; EC 1.1.1.1 from Moraxella sp. (strain TAE123) (see paper)
75% identity, 98% coverage: 5:339/343 of query aligns to 1:335/338 of Q8GIX7

query
sites
Q8GIX7

M

M

K

K

A

A

V

V

V

L

R

H

A

E

F

F

G

G

Q

Q

P

S

L

L

S

Q

I

I

D

E

E

E

V

V

P

D

V

I

P

P

T

T

P

P

G

G

L

A

G

G

E

E

V

I

L

V

V

V

K

K

I

M

E

Q

A

A

C

S

G

G

V

V

C
|
C

H

H

T

T

D

D

L

L

H

H

A

A

V

V

D

E

G

G

D

D

W

W

P

P

V

V

K

K

P

P

K

S

P

P

F

F

I

I

P

P

G

G

H
|
H

E
|
E

G

G

V

V

G

G

Y

L

V

I

V

T

A

A

I

V

G

G

P

E

G

G

V

V

T

T

H

H

L

V

K

K

E

E

G

G

D

D

R

R

V

V

G

G

I

V

P

A

W

W

L

L

Y

Y

S

S

A

A

C
|
C

G

G

H

H

C
|
C

E

T

H

H

C
|
C

L

L

G

G

W

W

E

E

T

T

L

L

C
|
C

E

E

S

S

Q

Q

N

N

T

S

G

G

Y

Y

S

S

V

V

N

N

G

G

G

S

F

F

A

A

E

E

Y

Y

A

V

L

L

A

A

A

N

A

A

D

N

Y

Y

V

V

G

G

H

I

L

I

P

P

D

E

G

S

I

V

G

D

F

S

V

I

E

E

I

I

A

A

P

P

V

V

L

L

C
|
C

A

A

G

G

V

V

T

T

V

V

Y

Y

K

K

G

G

L

L

K

K

V

M

T

T

D

D

T

T

R

K

P

P

G

G

N

D

W

W

V

V

I

I

S

S

G

G

I

I

G

G

L

L

G

G

H

H

M

M

A

A

V

V

Q

Q

Y

Y

A

A

A

I

A

A

M

M

G

G

L

L

N

N

V

V

A

A

V

V

D

D

I

I

D

D

A

D

K

K

L

L

D

A

L

F

A

A

R

K

L

L

G

G

A

A

Q

K

L

V

I

T

I

V

N

N

A

A

R

K

H

N

A

T

D

D

P

P

V

A

A

E

V

Y

V

L

K

Q

K

K

E

E

I

I

G

G

A

A

H

H

G

G

A

A

L

L

V

V

T

T

A

A

V

V

S

S

P

A

K

K

A

A

F

F

G

D

Q

Q

A

A

M

L

N

S

M

M

V

L

R

R

G

G

T

T

V

L

S

V

L

C

N

N

G

G

L

L

P

P

G

G

S

D

F

F

D

P

L

V

S

S

I

I

F

F

D

D

M

T

V

V

L

L

N

N

G

G

V

I

T

T

V

I

R

R

G

G

S

S

I

I

V

V

G

G

T

T

R

R

L

L

D

D

L

L

Q

Q

E

E

S

S

L

L

D

D

F

M

A

A

K

A

A

A

G

G

K

K

V

V

K

K

A

A

T

T

V

V

T

T

T

A

D

E

R

P

L

L

E

E

N

N

I

I

N

N

E

D

V

I

F

F

R

E

R

R

M

M

H

R

Q

Q

G

G

Q

K

I

I

E

E

G

G

R

R

V

I

V

V

L

I

D

D

C38 (= C42) binding
H61 (= H65) binding
E62 (= E66) binding
C92 (= C96) binding
C95 (= C99) binding
C98 (= C102) binding
C106 (= C110) binding
C148 (= C152) binding

4z6kA Alcohol dehydrogenase from the antarctic psychrophile moraxella sp. Tae 123
75% identity, 98% coverage: 5:339/343 of query aligns to 1:335/345 of 4z6kA

query
sites
4z6kA

M

M

K

K

A

A

V

V

V

L

R

H

A

E

F

F

G

G

Q

Q

P

S

L

L

S

Q

I

I

D

E

E

E

V

V

P

D

V

I

P

P

T

T

P

P

G

G

L

A

G

G

E

E

V

I

L

V

V

V

K

K

I

M

E

Q

A

A

C

S

G

G

V

V

C
|
C

H
|
H

T
|
T

D

D

L

L

H
|
H

A

A

V

V

D

E

G

G

D

D

W

W

P

P

V

V

K

K

P

P

K

S

P

P

F

F

I

I

P

P

G

G

H
|
H

E
|
E

G

G

V

V

G

G

Y

L

V

I

V

T

A

A

I

V

G

G

P

E

G

G

V

V

T

T

H

H

L

V

K

K

E

E

G

G

D

D

R

R

V

V

G

G

I

V

P

A

W

W

L

L

Y

Y

S

S

A

A

C
|
C

G

G

H

H

C
|
C

E

T

H

H

C
|
C

L

L

G

G

W

W

E

E

T

T

L

L

C
|
C

E

E

S

S

Q

Q

Q
|
Q

N

N

T

S

G

G

Y

Y

S

S

V

V

N

N

G

G

G

S

F

F

A

A

E

E

Y

Y

A

V

L

L

A

A

A

N

A

A

D

N

Y

Y

V

V

G

G

H

I

L

I

P

P

D

E

G

S

I

V

G

D

F

S

V

I

E

E

I

I

A

A

P

P

V

V

L

L

C
|
C

A

A

G

G

V

V

T
|
T

V

V

Y

Y

K

K

G

G

L

L

K

K

V

M

T

T

D

D

T

T

R

K

P

P

G

G

N

D

W

W

V

V

I

I

S

S

G

G

I

I

G

G

L

L

G

G

H

H

M

M

A

A

V

V

Q

Q

Y

Y

A

A

A

I

A

A

M

M

G

G

L

L

N

N

V

V

A

A

V

V

D

D

I

I

D

D

A

D

K

K

L

L

D

A

L

F

A

A

R

K

L

L

G

G

A

A

Q

K

L

V

I

T

I

V

N

N

A

A

R

K

H

N

A

T

D

D

P

P

V

A

A

E

V

Y

V

L

K

Q

K

K

E

E

I

I

G

G

A

A

H

H

G

G

A

A

L

L

V

V

T

T

A

A

V

V

S

S

P

A

K

K

A

A

F

F

G

D

Q

Q

A

A

M

L

N

S

M

M

V

L

R

R

G

G

T

T

V

L

S

V

L

C

N

N

G

G

L

L

P

P

G

G

S

D

F

F

D

P

L

V

S

S

I

I

F

F

D

D

M

T

V

V

L

L

N

N

G

G

V

I

T

T

V

I

R

R

G

G

S

S

I

I

V

V

G

G

T

T

R

R

L

L

D

D

L

L

Q

Q

E

E

S

S

L

L

D

D

F

M

A

A

K

A

A

A

G

G

K

K

V

V

K

K

A

A

T

T

V

V

T

T

T

A

D

E

R

P

L

L

E

E

N

N

I

I

N

N

E

D

V

I

F

F

R

E

R

R

M

M

H

R

Q

Q

G

G

Q

K

I

I

E

E

G

G

R
|
R

V

I

V

V

L

I

D

D

active site: C38 (= C42), H39 (= H43), T40 (= T44), H43 (= H47), H61 (= H65), E62 (= E66), C92 (= C96), C95 (= C99), C98 (= C102), C106 (= C110), Q110 (= Q114), C148 (= C152), T152 (= T156), R331 (= R335)
binding zinc ion: C38 (= C42), H61 (= H65), C92 (= C96), C95 (= C99), C98 (= C102), C106 (= C110), C148 (= C152)

1lluA The ternary complex of pseudomonas aeruginosa alcohol dehydrogenase with its coenzyme and weak substrate (see paper)
71% identity, 99% coverage: 1:340/343 of query aligns to 2:341/341 of 1lluA

query
sites
1lluA

M

L

S

P

K

Q

T

T

M

M

K

K

A

A

V

V

R

H

A

A

F

Y

G

G

Q

A

P

P

L

L

S

R

I

I

D

E

E

E

V

V

P

K

V

V

P

P

T

L

P

P

G

G

L

P

G

G

E

Q

V

V

L

L

V

V

K

K

I

I

E

E

A

A

C

S

G

G

V

V

C
|
C

H
|
H

T
|
T

D

D

L
|
L

H
|
H

A

A

V

A

D

E

G

G

D
|
D

W

W

P

P

V

V

K

K

P

P

K

P

P

L

P

P

F

F

I

I

P

P

G

G

H
|
H

E
|
E

G

G

V

V

G

G

Y

Y

V

V

V

A

A

A

I

V

G

G

P

S

G

G

V

V

T

T

H

R

L

V

K

K

E

E

G

G

D

D

R

R

V

V

G

G

I

I

P

P

W
|
W

L

L

Y

Y

S

T

A

A

C
|
C

G

G

H

C

C
|
C

E

E

H

H

C
|
C

L

L

G

T

G

G

W

W

E

E

T

T

L

L

C
|
C

E

E

S

S

Q

Q

Q
|
Q

N

N

T

T

G

G

Y

Y

S

S

V

V

N

N

G

G

F

Y

A

A

E

E

Y

Y

A

V

L

L

A

A

A

D

A

P

D

N

Y

Y

V

V

G

G

H

I

L

L

P

P

D

K

G

N

I

V

G

E

F

F

V

A

E

E

I

I

A

A

P

P

V

I

L

L

C
|
C

A

A

G

G

V

V

T
|
T

V

V

Y

Y

K

K

G

G

L

L

K

K

V

Q

T

T

D

N

T

A

R

R

P

P

G

G

N

Q

W

W

V

V

V

A

I

I

S

S

G

G

I

I

G
|
G

L
|
L

G

G

H

H

M

V

A

A

V

V

Q

Q

Y

Y

A

A

A

R

A

A

M

M

G

G

L

L

N

H

V

V

A

A

V

I

D
|
D

I
|
I

D

D

A

A

K
|
K

L

L

D

E

L

L

A

A

R

R

R

K

L

L

G

G

A

A

Q

S

L

L

I

T

I

V

N

N

A

A

R

R

H

Q

A

E

D

D

P

P

V

V

A

E

V

A

V

I

K

Q

K

R

E

D

I

I

G

G

A

A

H

H

G

G

A

V

L

L

V

V

T

T

A
|
A

V
|
V

S
|
S

P

N

K

S

A
|
A

F

F

G

G

Q

Q

A

A

M

I

N

G

M

M

V

A

R

R

G

G

T

T

V

I

S

A

L

L

N
x
V

G

G

L
|
L

P

P

G

G

S

D

F

F

D

P

L

T

S

P

I

I

F

F

D

D

M

V

V

V

L

L

N

K

G

G

V

L

T

H

V

I

R

A

G

G

S

S

I
|
I

V
|
V

G

G

T

T

R

R

L

A

D

D

L

L

Q

Q

E

E

S

A

L

L

D

D

F

F

A

A

K

G

A

E

G

G

K

L

V

V

K

K

A

A

T

T

V

I

T

H

T

P

D

G

R

K

L

L

E

D

N

D

I

I

N

N

E

Q

V

I

F

L

R

D

R

Q

M

M

H

R

Q

A

G

G

Q

Q

I

I

E

E

G

G

R
|
R

V

I

V

V

L

L

D

E

M

M

active site: C43 (= C42), H44 (= H43), T45 (= T44), H48 (= H47), H66 (= H65), E67 (= E66), C97 (= C96), C100 (= C99), C103 (= C102), C111 (= C110), Q115 (= Q114), C153 (= C152), T157 (= T156), R336 (= R335)
binding 1,2-ethanediol: H44 (= H43), T45 (= T44), L47 (= L46), D53 (= D52), W92 (= W91), C153 (= C152)
binding nicotinamide-adenine-dinucleotide: C43 (= C42), H44 (= H43), T45 (= T44), H48 (= H47), C153 (= C152), T157 (= T156), G179 (= G178), G180 (= G179), L181 (= L180), D200 (= D199), I201 (= I200), K205 (= K204), A243 (= A242), V244 (= V243), S245 (= S244), A248 (= A247), V265 (≠ N264), L267 (= L266), I290 (= I289), V291 (= V290), R336 (= R335)
binding zinc ion: C43 (= C42), H66 (= H65), C100 (= C99), C103 (= C102), C111 (= C110), C153 (= C152)

6n7lC Crystal structure of an alcohol dehydrogenase from elizabethkingia anophelis nuhp1
68% identity, 99% coverage: 1:341/343 of query aligns to 4:343/344 of 6n7lC

query
sites
6n7lC

M

I

S

P

K

K

T

T

M

M

K

K

A

A

V

V

R

Q

A

G

F

Y

G

G

Q

E

P

P

L

L

S

K

I

I

D

Q

E

E

V

V

P

P

V

V

P

R

T

E

P

P

G

G

L

R

G

Y

E

E

V

V

L

L

V

V

K

K

I

V

E

M

A

A

C

C

G

G

V

V

C
|
C

H
|
H

T
|
T

D

D

L

L

H
|
H

A

A

V

V

D

D

G

G

D

D

W

W

P

P

V

A

K

K

P

P

K

K

P

M

P

P

F

L

I

I

P

P

G

G

H
|
H

E

E

G

G

V

V

G

G

Y

I

V

V

A

A

I

C

G

G

P

P

G

D

V

A

T

M

H

-

L

V

K

K

E

E

G

G

D

D

R

A

V

V

G

G

I

V

P

P

W

W

L

L

Y

Y

S

S

A

A

C
|
C

G

G

H

C

C
|
C

E

D

H

Y

C
|
C

L

I

G

T

G

G

W

W

E

E

T

T

L

L

C
|
C

E

E

S

A

Q

Q

N

N

T

G

G

G

Y

Y

S

S

V

V

N

D

G

G

F

F

A

A

E

E

Y

Y

A

V

L

I

A

A

A

D

A

S

D

R

Y

Y

V

V

G

G

H

H

L

L

P

K

D

S

G

N

I

V

G

N

F

F

V

L

E

E

I

I

A

A

P

P

V

I

L

L

C
|
C

A

A

G

G

V

V

T
|
T

V

V

Y

Y

K

K

G

G

L

L

K

K

V

E

T

T

D

E

T

T

R

K

P

P

G

G

N

E

W

W

V

V

V

A

I

I

S

S

G
|
G

I

I

G
|
G

L
|
L

G

G

H

H

M

V

A

A

V

V

Q

Q

Y

Y

A

A

A

K

A

A

M

M

G

G

L

M

N

H

V

V

A

A

V

I

D
|
D

I
x
V

D

A

D

D

A

D

K
|
K

L

L

D

E

L

L

A

A

R

K

L

L

G

G

A

A

Q

D

L

L

I

T

I

V

N

N

A

A

R

K

H

T

A

T

D

D

P

P

V

G

A

T

V

Y

V

L

K

H

K

K

E

E

I

V

G

G

A

M

H

H

G

G

A

A

L

L

V

I

T
|
T

A
|
A

V
|
V

S
|
S

P

P

K

I

A
|
A

F

F

G

K

Q

Q

A

G

M

I

N

D

M

V

V

L

R

R

G

K

G

G

T

T

V

I

S

A

L

L

N
|
N

G
|
G

L
|
L

P

P

G

G

S

S

F

F

D

E

L

L

S

P

I

I

F

F

D

E

M

T

V

V

L

L

N

K

G

R

V

I

T

T

V

V

R

R

G

G

S

S

I
|
I

V
|
V

G

G

T

T

R

R

L

K

D

D

L

L

Q

Q

E

E

S

A

L

L

D

D

F

F

A

A

K

N

A

E

G

G

K

L

V

V

K

K

A

A

T

T

V

V

T

T

T

S

D

A

R

K

L

L

E

E

N

D

I

I

N

N

E

D

V

V

F

F

R

D

R

K

M

M

H

K

Q

K

G

G

Q

Q

I

I

E

D

G

G

R

R

V

I

V

V

L

L

D

D

M

I

A

A

active site: C45 (= C42), T47 (= T44), H50 (= H47), H68 (= H65), C154 (= C152)
binding nicotinamide-adenine-dinucleotide: C45 (= C42), H46 (= H43), T47 (= T44), H50 (= H47), C154 (= C152), T158 (= T156), G178 (= G176), G180 (= G178), G181 (= G179), L182 (= L180), D201 (= D199), V202 (≠ I200), K206 (= K204), T243 (= T241), A244 (= A242), V245 (= V243), S246 (= S244), A249 (= A247), N266 (= N264), G267 (= G265), L268 (= L266), I291 (= I289), V292 (= V290)
binding zinc ion: C45 (= C42), H68 (= H65), C98 (= C96), C101 (= C99), C104 (= C102), C112 (= C110), C154 (= C152)

1rjwA Crystal structure of NAD(+)-dependent alcohol dehydrogenase from bacillus stearothermophilus strain lld-r (see paper)
64% identity, 99% coverage: 5:343/343 of query aligns to 1:339/339 of 1rjwA

query
sites
1rjwA

M

M

K

K

A

A

V

V

R

E

A

Q

F

F

G

K

Q

E

P

P

L

L

S

K

I

I

D

K

E

E

V

V

P

E

V

K

P

P

T

T

P

I

G

S

L

Y

G

G

E

E

V

V

L

L

V

V

K

R

I

I

E

K

A

A

C

C

G

G

V

V

C
|
C

H
|
H

T
|
T

D

D

L

L

H
|
H

A

A

V

A

D

H

G

G

D

D

W

W

P

P

V

V

K

K

P

P

K

K

P

L

P

P

F

L

I

I

P

P

G

G

H
|
H

E
|
E

G

G

V

V

G

G

Y

I

V

V

V

E

A

E

I

V

G

G

P

P

G

G

V

V

T

T

H

H

L

L

K

K

E

V

G

G

D

D

R

R

V

V

G

G

I

I

P

P

W

W

L

L

Y

Y

S

S

A

A

C
|
C

G

G

H

H

C
|
C

E

D

H

Y

C
|
C

L

L

G

S

G

G

W

Q

E

E

T

T

L

L

C
|
C

E

E

S

H

Q

Q

Q
x
K

N

N

T

A

G

G

Y

Y

S

S

V

V

N

D

G

G

F

Y

A

A

E

E

Y

Y

A

C

L

R

A

A

D

D

Y

Y

V

V

G

V

H

K

L

I

P

P

D

D

G

N

I

L

G

S

F

F

V

E

E

E

I

A

A

A

P

P

V

I

L

F

C
|
C

A

A

G

G

V

V

T
|
T

V

T

Y

Y

K

K

G

A

L

L

K

K

V

V

T

T

D

G

T

A

R

K

P

P

G

G

N

E

W

W

V

V

V

A

I

I

S

Y

G

G

I

I

G

G

L

L

G

G

H

H

M

V

A

A

V

V

Q

Q

Y

Y

A

A

A

K

A

A

M

M

G

G

L

L

N

N

V

V

A

V

A

A

V

V

D

D

I

I

D

G

D

D

A

E

K

K

L

L

D

E

L

L

A

A

R

K

R

E

L

L

G

G

A

A

Q

D

L

L

I

V

N

N

A

P

R

L

H

K

A

E

D

D

P

A

V

A

A

K

V

F

V

M

K

K

K

E

E

K

I

V

G

G

A

V

H

H

G

A

A

A

L

V

V

V

T

T

A

A

V

V

S

S

P

K

K

P

A

A

F

F

G

Q

Q

S

A

A

M

Y

N

N

M

S

V

I

R

R

G

G

T

A

V

C

S

V

L

L

N

V

G

G

L

L

P

P

G

E

S

E

F

M

D

P

L

I

S

P

I

I

F

F

D

D

M

T

V

V

L

L

N

N

G

G

V

I

T

K

V

I

R

I

G

G

S

S

I
|
I

V

V

G

G

T

T

R

R

L

K

D

D

L

L

Q

Q

E

E

S

A

L

L

D

Q

F

F

A

A

K

A

A

E

G

G

K

K

V

V

K

K

A

T

T

I

V

I

T

E

T

V

D

Q

R

P

L

L

E

E

N

K

I

I

N

N

E

E

V

V

F

F

R

D

R

R

M

M

H

L

Q

K

G

G

Q

Q

I

I

E

N

G

G

R
|
R

V

V

L

L

D

T

M

L

A

E

S

D

Q

K

active site: C38 (= C42), H39 (= H43), T40 (= T44), H43 (= H47), H61 (= H65), E62 (= E66), C92 (= C96), C95 (= C99), C98 (= C102), C106 (= C110), K110 (≠ Q114), C148 (= C152), T152 (= T156), R331 (= R335)
binding trifluoroethanol: T40 (= T44), C148 (= C152), I285 (= I289)
binding zinc ion: C38 (= C42), H61 (= H65), C92 (= C96), C95 (= C99), C98 (= C102), C106 (= C110)

3piiA Crystal structure of mutant of ht- alcohol dehydrogenase with substrate analogue butyramide
65% identity, 98% coverage: 5:340/343 of query aligns to 1:336/337 of 3piiA

query
sites
3piiA

M

M

K

K

A

A

V

V

R

E

A

Q

F

F

G

K

Q

E

P

P

L

L

S

K

I

I

D

K

E

E

V

V

P

E

V

K

P

P

T

T

P

I

G

S

L

Y

G

G

E

E

V

V

L

L

V

V

K

R

I

I

E

K

A

A

C

C

G

G

V

V

C
|
C

H
|
H

T
|
T

D

D

L

L

H
|
H

A

A

V

A

D

H

G

G

D

D

W

W

P

P

V

V

K

K

P

P

K

K

P

L

P

P

F

L

I

I

P

P

G

G

H
|
H

E
|
E

G

G

V

V

G

G

Y

I

V

V

V

E

A

E

I

V

G

G

P

P

G

G

V

V

T

T

H

H

L

L

K

K

E

V

G

G

D

D

R

R

V

V

G

G

I

I

P

P

W
|
W

L

L

Y

Y

S

S

A

A

C
|
C

G

G

H

H

C
|
C

E

D

H

Y

C
|
C

L

L

G

S

G

G

W

Q

E

E

T

T

L

L

C
|
C

E

E

S

H

Q

Q

Q
x
K

N

N

T

A

G

G

Y

Y

S

S

V

V

N

D

G

G

F

Y

A

A

E

E

Y

Y

A

C

L

R

A

A

D

D

Y

Y

V

V

G

V

H

K

L

I

P

P

D

D

G

N

I

L

G

S

F

F

V

E

E

E

I

A

A

A

P

P

V

I

L

F

C
|
C

A

A

G

G

V

V

T
|
T

V

T

Y

Y

K

K

G

A

L

L

K

K

V

V

T

T

D

G

T

A

R

K

P

P

G

G

N

E

W

W

V

V

V

A

I

I

S

Y

G

G

I

I

G

G

L

F

G

G

H

H

M

V

A

A

V

V

Q

Q

Y

Y

A

A

A

K

A

A

M

M

G

G

L

L

N

N

V

V

A

V

A

A

V

V

D

D

I

I

D

G

D

D

A

E

K

K

L

L

D

E

L

L

A

A

R

K

R

E

L

L

G

G

A

A

Q

D

L

L

I

V

N

N

A

P

R

L

H

K

A

E

D

D

P

A

V

A

A

K

V

F

V

M

K

K

K

E

E

K

I

V

G

G

A

V

H

H

G

A

A

A

L

V

V

V

T

T

A

A

V

V

S

S

P

K

K

P

A

A

F

F

G

Q

Q

S

A

A

M

Y

N

N

M

S

V

I

R

R

G

G

T

A

V

C

S

V

L

L

N

V

G

G

L

L

P

P

G

E

S

E

F

M

D

P

L

I

S

P

I

I

F

F

D

D

M

T

V

V

L

L

N

N

G

G

V

I

T

K

V

I

R

I

G

G

S

S

I

I

V

V

G

G

T

T

R

R

L

K

D

D

L

L

Q

Q

E

E

S

A

L

L

D

Q

F

F

A

A

K

A

A

E

G

G

K

K

V

V

K

K

A

T

T

I

V

I

T

E

T

V

D

Q

R

P

L

L

E

E

N

K

I

I

N

N

E

E

V

V

F

F

R

D

R

R

M

M

H

L

Q

K

G

G

Q

Q

I

I

E

N

G

G

R
|
R

V

V

L

L

D

T

M

L

active site: C38 (= C42), H39 (= H43), T40 (= T44), H43 (= H47), H61 (= H65), E62 (= E66), C92 (= C96), C95 (= C99), C98 (= C102), C106 (= C110), K110 (≠ Q114), C148 (= C152), T152 (= T156), R331 (= R335)
binding butyramide: T40 (= T44), H61 (= H65), W87 (= W91), C148 (= C152)
binding zinc ion: C38 (= C42), H61 (= H65), E62 (= E66), C92 (= C96), C95 (= C99), C98 (= C102), C106 (= C110), C148 (= C152)

P12311 Alcohol dehydrogenase; ADH-T; EC 1.1.1.1 from Geobacillus stearothermophilus (Bacillus stearothermophilus) (see paper)
64% identity, 98% coverage: 5:340/343 of query aligns to 1:336/337 of P12311

query
sites
P12311

M

M

K

K

A

A

V

V

R

E

A

Q

F

F

G

K

Q

K

P

P

L

L

S

Q

I

V

D

K

E

E

V

V

P

E

V

K

P

P

T

K

P

I

G

S

L

Y

G

G

E

E

V

V

L

L

V

V

K

R

I

I

E

K

A

A

C

C

G

G

V

V

C
|
C

H

H

T
|
T

D

D

L

L

H
|
H

A

A

V

A

D

H

G

G

D

D

W

W

P

P

V

V

K

K

P

P

K

K

P

L

P

P

F

L

I

I

P

P

G

G

H

H

E

E

G

G

V

V

G

G

Y

V

V

I

V

E

A

E

I

V

G

G

P

P

G

G

V

V

T

T

H

H

L

L

K

K

E

V

G

G

D

D

R

R

V

V

G

G

I

I

P

P

W

W

L

L

Y

Y

S

S

A

A

C

C

G

G

H

H

C

C

E

D

H

Y

C

C

L

L

G

S

G

G

W

Q

E

E

T

T

L

L

C

C

E

E

S

R

Q

Q

N

N

T

A

G

G

Y

Y

S

S

V

V

N

D

G

G

F

Y

A

A

E

E

Y

Y

A

C

L

R

A

A

D

D

Y

Y

V

V

G

V

H

K

L

I

P

P

D

D

G

N

I

L

G

S

F

F

V

E

E

E

I

A

A

A

P

P

V

I

L

F

C

C

A

A

G

G

V

V

T

T

V

T

Y

Y

K

K

G

A

L

L

K

K

V

V

T

T

D

G

T

A

R

K

P

P

G

G

N

E

W

W

V

V

V

A

I

I

S

Y

G

G

I

I

G

G

L

L

G

G

H

H

M

V

A

A

V

V

Q

Q

Y

Y

A

A

A

K

A

A

M

M

G

G

L

L

N

N

V

V

A

V

A

A

V

V

D

D

I

L

D

G

D

D

A

E

K

K

L

L

D

E

L

L

A

A

R

K

R

Q

L

L

G

G

A

A

Q

D

L

L

I

V

N

N

A

P

R

K

H

H

A

D

D

D

P

A

V

A

A

Q

V

W

V

I

K

K

K

E

E

K

I

V

G

G

A

V

H

H

G

A

A

T

L

V

V

V

T

T

A

A

V

V

S

S

P

K

K

A

A

A

F

F

G

E

Q

S

A

A

M

Y

N

K

M

S

V

I

R

R

G

G

T

A

V

C

S

V

L

L

N

V

G

G

L

L

P

P

G

E

S

E

F

I

D

P

L

I

S

P

I

I

F

F

D

D

M

T

V

V

L

L

N

N

G

G

V

V

T

K

V

I

R

I

G

G

S

S

I

I

V

V

G

G

T

T

R

R

L

K

D

D

L

L

Q

Q

E

E

S

A

L

L

D

Q

F

F

A

A

K

A

A

E

G

G

K

K

V

V

K

K

A

T

T

I

V

V

T

E

T

V

D

Q

R

P

L

L

E

E

N

N

I

I

N

N

E

D

V

V

F

F

R

D

R

R

M

M

H

L

Q

K

G

G

Q

Q

I

I

E

N

G

G

R

R

V

V

L

L

D

K

M

V

C38 (= C42) mutation to S: No activity.
T40 (= T44) mutation to A: No activity.; mutation to S: Little decrease in activity.
H43 (= H47) mutation to A: No activity.; mutation to R: Higher level of activity at pH 9.

6iqdA Crystal structure of alcohol dehydrogenase from geobacillus stearothermophilus (see paper)
62% identity, 98% coverage: 5:340/343 of query aligns to 1:336/336 of 6iqdA

query
sites
6iqdA

M

M

K

K

A

A

V

V

R

N

A

E

F

F

G

K

Q

K

P

A

L

L

S

E

I

I

D

K

E

E

V

V

P

E

V

R

P

P

T

K

P

L

G

E

L

E

G

G

E

E

V

V

L

L

V

V

K

K

I

I

E

E

A

A

C

C

G

G

V

V

C
|
C

H

H

T
|
T

D

D

L

L

H
|
H

A

A

V

A

D

H

G

G

D

D

W

W

P

P

V

I

K

K

P

P

K

K

P

L

P

P

F

L

I

I

P

P

G

G

H
|
H

E
|
E

G

G

V

V

G

G

Y

I

V

V

A

E

I

V

G

A

P

K

G

G

V

V

T

K

H

S

L

I

K

K

E

V

G

G

D

D

R

R

V

V

G

G

I

I

P

P

W

W

L

L

Y

Y

S

S

A

A

C
|
C

G

G

H

E

C
|
C

E

E

H

Y

C
|
C

L

L

G

T

G

G

W

Q

E

E

T

T

L

L

C
|
C

E

P

S

H

Q

Q

Q

L

N

N

T

G

G

G

Y

Y

S

S

V

V

N

D

G

G

F

Y

A

A

E

E

Y

Y

A

C

L

K

A

A

A

P

A

A

D

D

Y

Y

V

V

G

A

H

K

L

I

P

P

D

D

G

N

I

L

G

D

F

P

V

V

E

E

I

V

A

A

P

P

V

I

L

L

C
|
C

A

A

G

G

V

V

T

T

V

T

Y

Y

K

K

G

A

L

L

K

K

V

V

T

S

D

G

T

A

R

R

P

P

G

G

N

E

W

W

V

V

V

A

I

I

S

Y

G

G

I

I

G

G

L

L

G

G

H

H

M

I

A

A

V

L

Q

Q

Y

Y

A

A

A

K

A

A

M

M

G

G

L

L

N

N

V

V

A

V

A

A

V

V

D

D

I

I

D

S

D

D

A

E

K

K

L

S

D

K

L

L

A

A

R

K

R

D

L

L

G

G

A

A

Q

D

L

I

I

A

I

I

N

N

A

G

R

L

H

K

A

E

D

D

P

P

V

V

A

K

V

A

V

I

K

H

K

D

E

Q

I

V

G

G

A

V

H

H

G

A

A

A

L

I

V

S

T

V

A

A

V

V

S

N

P

K

K

K

A

A

F

F

G

E

Q

Q

A

A

M

Y

N

Q

M

S

V

V

R

K

R

R

G

G

T

T

V

L

S

V

L

V

N

V

G

G

L

L

P

P

P

N

G

A

S

D

F

L

D

P

L

I

S

P

I

I

F

F

D

D

M

T

V

V

L

L

N

N

G

G

V

V

T

S

V

V

R

K

G

G

S

S

I

I

V

V

G

G

T

T

R

R

L

K

D

D

L

M

Q

Q

E

E

S

A

L

L

D

D

F

F

A

A

K

A

A

R

G

G

K

K

V

V

K

R

A

P

T

I

V

V

T

E

T

T

D

A

R

E

L

L

E

E

N

E

I

I

N

N

E

E

V

V

F

F

R

E

R

R

M

M

H

E

Q

K

G

G

Q

K

I

I

E

N

G

G

R

R

V

I

V

V

L

L

D

K

M

L

active site: C38 (= C42), T40 (= T44), H43 (= H47), H61 (= H65), C148 (= C152)
binding zinc ion: C38 (= C42), H61 (= H65), E62 (= E66), C92 (= C96), C95 (= C99), C98 (= C102), C106 (= C110), C148 (= C152)

4eezB Crystal structure of lactococcus lactis alcohol dehydrogenase variant re1 (see paper)
45% identity, 98% coverage: 5:340/343 of query aligns to 1:338/342 of 4eezB

query
sites
4eezB

M

M

K

K

A

A

V

V

R

R

A

H

F

N

G

P

Q

D

-

G

-

Y

-

A

P

D

L

L

S

V

I

E

D

K

E

E

V

L

P

R

V

A

P

I

T

K

P

P

G

N

L

-

G

-

E

E

V

A

L

L

V

L

K

D

I

M

E

E

A

Y

C

C

G

G

V

V

C
|
C

H
|
H

T
|
T

D

D

L

L

H
|
H

A

V

V

A

D

A

G

G

D

D

W

F

P

G

V

-

K

-

P

N

K

K

P

A

P

G

F

T

I

V

P

L

G

G

H
|
H

E
|
E

G

G

V

I

G

G

Y

I

V

V

V

K

A

E

I

I

G

G

P

A

G

D

V

V

T

S

H

S

L

L

K

Q

E

V

G

G

D

D

R

R

V

V

G

S

I

V

P

A

W

W

L

F

Y

F

S

E

A

G

C
|
C

G

G

H

H

C
|
C

E

E

H

Y

C
|
C

L

V

G

S

G

G

W

N

E

E

T

T

L

F

C
|
C

E

R

S

E

Q

V

Q
x
K

N

N

T

A

G

G

Y

Y

S

S

V

V

N

D

G

G

F

M

A

A

E

E

Y

E

A

A

L

I

A

V

A

A

D

D

Y

Y

V

A

G

V

H

K

L

V

P

P

D

D

G

G

I

L

G

D

F

P

V

I

E

E

I

A

A

S

P

S

V

I

L

T

C
|
C

A

A

G

G

V

V

T
|
T

V

T

Y

Y

K

K

G

A

L

I

K

K

V

V

T

S

D

G

T

V

R

K

P

P

G

G

N

D

W

W

V

Q

V

V

I

I

S

F

G

G

I

A

G

G

L

L

G

G

H

N

M

L

A

A

V

I

Q

Q

Y

Y

A

A

A

K

-

N

A

V

M

F

G

G

L

A

N

K

V

V

A

I

A

A

V

V

D

D

I

I

D

N

D

Q

A

D

K

K

L

L

D

N

L

L

A

A

R

K

L

I

G

G

A

A

Q

D

L

V

I

T

I

I

N

N

A

S

R

G

H

D

A

V

D

N

P

P

V

V

A

D

V

E

V

I

K

K

E

I

I

T

G

G

-

G

-

L

G

G

A

V

H

Q

G

S

A

A

L

I

V

V

T

C

A

A

V

V

S

A

P

R

K

I

A

A

F

F

G

E

Q

Q

A

A

M

V

N

A

M

S

V

L

R

K

R

P

G

M

G

G

T

K

V

M

S

V

L

A

N

V

G

A

L

V

P

P

P

N

G

T

S

E

F

M

D

T

L

L

S

S

I

V

F

P

D

T

M

V

V

V

L

F

N

D

G

G

V

V

T

E

V

V

R

A

G

G

S

S

I

L

V

V

G

G

T

T

R

R

L

L

D

D

L

L

Q

A

E

E

S

A

L

F

D

Q

F

F

A

G

K

A

A

E

G

G

K

K

V

V

K

K

A

P

T

I

V

V

T

A

T

T

D

R

R

K

L

L

E

E

N

E

I

I

N

N

E

D

V

I

F

I

R

D

R

E

M

M

H

K

Q

A

G

G

Q

K

I

I

E

E

G

G

R
|
R

V

M

V

V

L

I

D

D

M

F

active site: C39 (= C42), H40 (= H43), T41 (= T44), H44 (= H47), H60 (= H65), E61 (= E66), C91 (= C96), C94 (= C99), C97 (= C102), C105 (= C110), K109 (≠ Q114), C147 (= C152), T151 (= T156), R333 (= R335)
binding zinc ion: C39 (= C42), H60 (= H65), E61 (= E66), C91 (= C96), C94 (= C99), C97 (= C102), C105 (= C110), C147 (= C152)

4gkvB Structure of escherichia coli adhp (ethanol-inducible dehydrogenase) with bound NAD (see paper)
47% identity, 98% coverage: 5:340/343 of query aligns to 1:334/336 of 4gkvB

query
sites
4gkvB

M

M

K

K

A

A

V

V

R

T

A

K

F

-

G

D

Q

H

P

H

L

V

S

D

I

V

D

T

E

Y

V

K

P

T

V

L

P

R

T

S

P

L

G

K

L

H

G

G

E

E

V

A

L

L

V

L

K

K

I

M

E

E

A

C

C

C

G

G

V

V

C
|
C

H
|
H

T
|
T

D

D

L

L

H
|
H

A

V

V

K

D

N

G

G

D

D

W

F

P

G

V

-

K

-

P

D

K

K

P

T

P

G

F

V

I

I

P

L

G

G

H
|
H

E
|
E

G

G

V

I

G

G

Y

V

V

V

V

A

A

E

I

V

G

G

P

P

G

G

V

V

T

T

H

S

L

L

K

K

E

P

G

G

D

D

R

R

V

A

G

S

I

V

P

A

W

W

L

F

Y

Y

S

E

A

G

C
|
C

G

G

H

H

C
|
C

E

E

H

Y

C
|
C

L

N

G

S

G

G

W

N

E

E

T

T

L

L

C
|
C

E

R

S

S

Q

V

Q
x
K

N

N

T

A

G

G

Y

Y

S

S

V

V

N

D

G

G

F

M

A

A

E

E

Y

E

A

C

L

I

A

V

A

A

D

D

Y

Y

V

A

G

V

H

K

L

V

P

P

D

D

G

G

I

L

G

D

F

S

V

A

E

A

I

A

A

S

P

S

V

I

L

T

C
|
C

A

A

G

G

V

V

T
|
T

V

T

Y

Y

K

K

G

A

L

V

K

K

V

L

T

S

D

K

T

I

R

R

P

P

G

G

N

Q

W

W

V

I

V

A

I

I

S

Y

G
|
G

I

L

G
|
G

L
|
L

G

G

H

N

M

L

A

A

V

L

Q

Q

Y

Y

A

A

A

K

-

N

A

V

M

F

G

N

L

A

N

K

V

V

A

I

A

A

V

I

D
|
D

I
x
V

D

N

D

D

A

E

K
x
Q

L

L

D

K

L

L

A

A

R

T

R

E

L

M

G

G

A

A

Q

D

L

L

I

A

I

I

N

N

A

S

R

H

H

T

A

E

D

D

P

A

V

A

A

K

V

I

V

V

K
x
Q

K

E

E

K

I

T

G

G

A

A

H

H

G

A

A

A

L

V

V

V

T
|
T

A
|
A

V
|
V

S

A

P

K

K

A

A

A

F

F

G

N

Q

S

A

A

M

V

N
x
D

M

A

V

V

R

R

R

A

G

G

T

R

V

V

S

V

L

A

N
x
V

G
|
G

L
|
L

P

P

G

E

S

S

F

M

D

S

L

L

S

D

I

I

F

P

D
x
R

M

L

V

V

L
|
L

N

D

G

G

V

I

T

E

V

V

R

V

G

G

S

S

I
x
L

V
|
V

G

G

T

T

R

R

L

Q

D

D

L

L

Q

T

E

E

S

A

L

F

D

Q

F

F

A

A

K

A

A

E

G

G

K

K

V

V

K

V

A

P

T

K

V

V

T

A

T

L

D

R

R

P

L

L

E

A

N

D

I

I

N

N

E

T

V

I

F

F

R

T

R

E

M

M

H

E

Q

E

G

G

Q

K

I

I

E

R

G

G

R
|
R

V

M

V

V

L

I

D

D

M

F

active site: C37 (= C42), H38 (= H43), T39 (= T44), H42 (= H47), H58 (= H65), E59 (= E66), C89 (= C96), C92 (= C99), C95 (= C102), C103 (= C110), K107 (≠ Q114), C145 (= C152), T149 (= T156), R329 (= R335)
binding nicotinamide-adenine-dinucleotide: C37 (= C42), H38 (= H43), T39 (= T44), H42 (= H47), C145 (= C152), T149 (= T156), G169 (= G176), G171 (= G178), G172 (= G179), L173 (= L180), D193 (= D199), V194 (≠ I200), Q198 (≠ K204), T235 (= T241), A236 (= A242), V237 (= V243), V258 (≠ N264), G259 (= G265), L260 (= L266), L283 (≠ I289), V284 (= V290), R329 (= R335)
binding zinc ion: C37 (= C42), H58 (= H65), C89 (= C96), C92 (= C99), C95 (= C102), C103 (= C110), C145 (= C152)
binding : Q223 (≠ K229), D247 (≠ N253), R271 (≠ D277), L274 (= L280)

P00331 Alcohol dehydrogenase 2; Alcohol dehydrogenase II; ADHII; YADH-2; EC 1.1.1.1 from Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast) (see paper)
43% identity, 99% coverage: 1:341/343 of query aligns to 3:347/348 of P00331

query
sites
P00331

M

I

S

P

K

E

T

T

M

Q

K

K

A

A

A

I

V

I

V

F

R

Y

A

E

F

S

G

N

Q

G

P

K

L

L

S

E

I

H

D

K

E

D

V

I

P

P

V

V

P

P

T

K

P

P

G

K

L

P

G

N

E

E

V

L

L

L

V

I

K

N

I

V

E

K

A

Y

C

S

G

G

V

V

C

C

H

H

T

T

D

D

L

L

H

H

A

A

V

W

D

H

G

G

D

D

W

W

P

P

V

L

K

P

P

T

K

K

P

L

P

P

F

L

I

V

P

G

G

G

H

H

E

E

G

G

V

A

G

G

Y

V

V

V

A

G

I

M

G

G

P

E

G

N

V

V

T

K

H

G

L

W

K

K

E

I

G

G

D

D

R

Y

V

A

G

G

I

I

P

K

W

W

L

L

Y

N

S

G

A

S

C

C

G

M

H

A

C

C

E

E

H

Y

C

C

L

E

G

L

G

G

W

N

E

E

T

S

L

N

C

C

E

P

S

H

Q

A

Q

D

N

L

T

S

G

G

Y

Y

S

T

V

H

N

D

G

G

G

S

F

F

A

Q

E

E

Y

Y

A

A

L

T

A

A

A

D

A

A

D

V

Y

Q

V

A

G

A

H

H

L

I

P

P

D

Q

G

G

I

T

G

D

F

L

V

A

E

E

I

V

A

A

P

P

V

I

L

L

C

C

A

A

G

G

V

I

T

T

V

V

Y

Y

K

K

G

A

L

L

K

K

V

S

T

A

D

N

T

L

R

R

P

A

G

G

N

H

W

W

V

A

I

I

S

S

G

G

-

A

I

A

G

G

L

L

G

G

H

S

M

L

A

A

V

V

Q

Q

Y

Y

A

A

A

K

A

A

M

M

G

G

L

Y

N

R

V

V

A

L

A

G

V

I

D

D

I

G

D

G

D

P

A

G

K

K

L

E

D

E

L

L

A

F

R

T

R

S

L

L

G

G

A

G

Q

E

L

V

I

F

I

I

N

D

-

F

A

T

R

K

H

E

A

K

D

D

P

I

V

V

-

S

A

A

V

V

K

K

K

A

E

T

I

N

G

G

A

A

H

H

G

G

A

I

L

I

V

N

T

V

A

S

V

V

S

S

P

E

K

A

A

A

F

I

G

E

Q

A

A

S

M

T

N

R

M

Y

V

C

R

R

R

A

G

N

G

G

T

T

V

V

S

V

L

L

N

V

G

G

L

L

P

P

P

A

G

G

S

A

F

K

D

C

L

S

S

S

-

D

I

V

F

F

D

N

M

H

V

V

L

V

N

K

G

S

V

I

T

S

V

I

R

V

G

G

S

S

I

Y

V

V

G

G

T

N

R

R

L

A

D

D

L

T

Q

R

E

E

S

A

L

L

D

D

F

F

A

F

K

A

A

R

G

G

K

L

V

V

K

K

A

S

T

P

V

I

T

K

T

V

D

V

R

G

L

L

E

S

N

S

I

L

N

P

E

E

V

I

F

Y

R

E

R

K

M

M

H

E

Q

K

G

G

Q

Q

I

I

E

A

G

G

R

R

V

Y

V

V

L

V

D

D

M

T

A

S

Sites not aligning to the query:

1 modified: Initiator methionine, Removed
2 modified: N-acetylserine

5envA Yeast alcohol dehydrogenase with bound coenzyme (see paper)
41% identity, 99% coverage: 3:341/343 of query aligns to 4:346/347 of 5envA

query
sites
5envA

K

E

T

T

M

Q

K

K

A

G

A

V

V

I

V

F

R

Y

A

E

F

S

G

H

Q

G

P

K

L

L

S

E

I

Y

D

K

E

D

V

I

P

P

V

V

P

P

T

K

P

P

G

K

L

A

G

N

E

E

V

L

L

L

V

I

K

N

I

V

E

K

A

Y

C

S

G

G

V

V

C
|
C

H
|
H

T
|
T

D

D

L

L

H
|
H

A

A

V

W

D

H

G

G

D

D

W
|
W

P

P

V

L

K

P

P

V

K

K

P

L

P

P

F

L

I

V

P

G

G

G

H
|
H

E
|
E

G

G

V

A

G

G

Y

V

V

V

A

G

I

M

G

G

P

E

G

N

V

V

T

K

H

G

L

W

K

K

E

I

G

G

D

D

R

Y

V

A

G

G

I

I

P

K

W
|
W

L

L

Y

N

S

G

A

S

C
|
C

G

M

H

A

C
|
C

E

E

H

Y

C
|
C

L

E

G

L

G

G

W

N

E

E

T

S

L

N

C
|
C

E

P

S

H

Q

A

Q
x
D

N

L

T

S

G

G

Y

Y

S

T

V

H

N

D

G

G

G

S

F

F

A

Q

E

Q

Y

Y

A

A

L

T

A

A

A

D

A

A

D

V

Y

Q

V

A

G

A

H

H

L

I

P

P

D

Q

G

G

I

T

G

D

F

L

V

A

E

Q

I

V

A

A

P

P

V

I

L

L

C
|
C

A

A

G

G

V

I

T
|
T

V

V

Y

Y

K

K

G

A

L

L

K

K

V

S

T

A

D

N

T

L

R

M

P

A

G

G

N

H

W

W

V

V

V

A

I

I

S

S

G
|
G

-

A

I

A

G
|
G

L
|
L

G

G

H

S

M

L

A

A

V

V

Q

Q

Y

Y

A

A

A

K

A

A

M

M

G

G

L

Y

N

R

V

V

A

L

A

G

V

I

D
|
D

I

G

D

G

D

E

A

G

K
|
K

L

E

D

E

L

L

A

F

R

R

R

S

L

I

G

G

A

G

Q

E

L

V

I

F

I

I

N

D

-
x
F

A

T

R

K

H

E

A

K

D

D

P

I

V

V

-

G

A

A

V

V

V

L

K

K

K

A

E

T

I

D

G

G

A

A

H

H

G

G

A

V

L

I

V

N

T

V

A
x
S

V

V

S

S

P

E

K

A

A

A

F

I

G

E

Q

A

A

S

M

T

N

R

M

Y

V

V

R

R

R

A

G

N

G

G

T

T

V

T

S

V

L

L

N
x
V

G
|
G

L
x
M

P

P

P

A

G

G

S

A

F

K

D

C

L

C

S

S

-

D

I

V

F

F

D

N

M

Q

V

V

L

V

N

K

G

S

V

I

T

S

V

I

R

V

G

G

S

S

I
x
Y

V
|
V

G

G

T

N

R

R

L

A

D

D

L

T

Q

R

E

E

S

A

L

L

D

D

F

F

A

F

K

A

A

R

G

G

K

L

V

V

K

K

A

S

T

P

V

I

T

K

T

V

D

V

R

G

L

L

E

S

N

T

I

L

N

P

E

E

V

I

F

Y

R

E

R

K

M

M

H

E

Q

K

G

G

Q

Q

I

I

E

V

G

G

R
|
R

V

Y

V

V

L

V

D

D

M

T

A

S

active site: C43 (= C42), H44 (= H43), T45 (= T44), H48 (= H47), H66 (= H65), E67 (= E66), C97 (= C96), C100 (= C99), C103 (= C102), C111 (= C110), D115 (≠ Q114), C153 (= C152), R340 (= R335)
binding trifluoroethanol: T45 (= T44), W54 (= W53), H66 (= H65), W92 (= W91), C153 (= C152), M270 (≠ L266), Y294 (≠ I289)
binding nicotinamide-adenine-dinucleotide: H44 (= H43), T45 (= T44), H48 (= H47), T157 (= T156), G177 (= G176), G180 (= G178), G181 (= G179), L182 (= L180), D201 (= D199), K206 (= K204), F221 (vs. gap), S246 (≠ A242), V268 (≠ N264), G269 (= G265), V295 (= V290)
binding zinc ion: C43 (= C42), H66 (= H65), C97 (= C96), C100 (= C99), C103 (= C102), C111 (= C110), C153 (= C152)

4w6zA Yeast alcohol dehydrogenase i, saccharomyces cerevisiae fermentative enzyme (see paper)
41% identity, 99% coverage: 3:341/343 of query aligns to 4:346/347 of 4w6zA

query
sites
4w6zA

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active site: C43 (= C42), H44 (= H43), T45 (= T44), H48 (= H47), H66 (= H65), E67 (= E66), C97 (= C96), C100 (= C99), C103 (= C102), C111 (= C110), D115 (≠ Q114), C153 (= C152), R340 (= R335)
binding nicotinamide-8-iodo-adenine-dinucleotide: C43 (= C42), H44 (= H43), T45 (= T44), H48 (= H47), W54 (= W53), C153 (= C152), T157 (= T156), G177 (= G176), G180 (= G178), G181 (= G179), L182 (= L180), I200 (≠ V198), D201 (= D199), K206 (= K204), F221 (vs. gap), S246 (≠ A242), S248 (= S244), A251 (= A247), V268 (≠ N264), G269 (= G265), M270 (≠ L266), S293 (= S288), Y294 (≠ I289), V295 (= V290), R340 (= R335)
binding trifluoroethanol: T45 (= T44), W54 (= W53), H66 (= H65), W92 (= W91), C153 (= C152)
binding zinc ion: C43 (= C42), H66 (= H65), C97 (= C96), C100 (= C99), C103 (= C102), C111 (= C110), C153 (= C152)

P00330 Alcohol dehydrogenase 1; Alcohol dehydrogenase I; ADHI; NADH-dependent methylglyoxal reductase; YADH-1; EC 1.1.1.1; EC 1.1.1.54; EC 1.1.1.78 from Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast) (see 6 papers)
41% identity, 99% coverage: 3:341/343 of query aligns to 5:347/348 of P00330

query
sites
P00330

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C44 (= C42) binding
H45 (= H43) binding ; mutation to R: Decreases dissociation constants by 4-fold for NAD(+) and 2-fold for NADH, while turnover numbers were decreased by 4-fold for ethanol oxidation and 6-fold for acetaldehyde reduction.
T46 (= T44) binding ; mutation to S: Has the same pattern of activity as the wild-type enzyme for linear primary alcohols.
H49 (= H47) binding
W55 (= W53) mutation to M: Has lowered reactivity with primary and secondary alcohols.
H67 (= H65) binding
E68 (= E66) binding in the open conformation
W93 (= W91) mutation to A: Has an inverted specificity pattern for primary alcohols, being 3- and 10-fold more active on hexanol and 350- and 540-fold less active on ethanol. Also acquires weak activity on branched chain alcohols and cyclohexanol.
C98 (= C96) binding
C101 (= C99) binding
C104 (= C102) binding
C112 (= C110) binding
C154 (= C152) binding
G181 (= G178) binding
G182 (= G179) binding
L183 (= L180) binding
D202 (= D199) binding
K207 (= K204) binding
F222 (vs. gap) binding
T236 (≠ E231) natural variant: T -> I
V269 (≠ N264) binding
M271 (≠ L266) binding ; mutation to L: Produces a 7 to 10-fold increase in reactivity with butanol, pentanol, and hexanol.
S294 (= S288) binding
V296 (= V290) binding
R341 (= R335) binding

Sites not aligning to the query:

1 modified: Initiator methionine, Removed
2 modified: N-acetylserine

Query Sequence

>N515DRAFT_2489 N515DRAFT_2489 alcohol dehydrogenase, propanol-preferring
MSKTMKAAVVRAFGQPLSIDEVPVPTPGLGEVLVKIEACGVCHTDLHAVDGDWPVKPKPP
FIPGHEGVGYVVAIGPGVTHLKEGDRVGIPWLYSACGHCEHCLGGWETLCESQQNTGYSV
NGGFAEYALAAADYVGHLPDGIGFVEIAPVLCAGVTVYKGLKVTDTRPGNWVVISGIGGL
GHMAVQYAAAMGLNVAAVDIDDAKLDLARRLGAQLIINARHADPVAVVKKEIGGAHGALV
TAVSPKAFGQAMNMVRRGGTVSLNGLPPGSFDLSIFDMVLNGVTVRGSIVGTRLDLQESL
DFAKAGKVKATVTTDRLENINEVFRRMHQGQIEGRVVLDMASQ

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