SitesBLAST

P46154 Glutathione-independent formaldehyde dehydrogenase; FALDH; FDH; Formaldehyde dismutase; EC 1.2.1.46; EC 1.2.98.1 from Pseudomonas putida (Arthrobacter siderocapsulatus) (see paper)
34% identity, 95% coverage: 2:388/407 of query aligns to 5:392/399 of P46154

query
sites
P46154

K

R

A

G

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V

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Y

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P

C47 (= C38) binding Zn(2+)
G48 (= G39) binding NAD(+)
S49 (= S40) binding NAD(+)
H52 (= H43) binding NAD(+)
H68 (= H60) binding Zn(2+)
C98 (= C90) binding Zn(2+)
C101 (= C93) binding Zn(2+)
C104 (= C96) binding Zn(2+)
C112 (= C104) binding Zn(2+)
V198 (= V197) binding NAD(+)
D218 (= D216) binding NAD(+)
R223 (= R221) binding NAD(+)
V263 (= V261) binding NAD(+)
R268 (≠ H266) binding NAD(+)
H270 (≠ L268) binding NAD(+)
P300 (= P307) binding NAD(+)
L302 (≠ V309) binding NAD(+)
G337 (= G332) binding NAD(+)
T339 (= T334) binding NAD(+)

Q52078 Formaldehyde dismutase; EC 1.2.98.1 from Pseudomonas putida (Arthrobacter siderocapsulatus) (see paper)
32% identity, 95% coverage: 2:388/407 of query aligns to 5:392/399 of Q52078

query
sites
Q52078

K
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K

A
x
S

L
x
V

R
x
V

W
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Y

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G
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-
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-
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E

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T
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A

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-

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K

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C

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A
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A

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A
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A

K
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L
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L

G
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G

A
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A

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G
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I

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T

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D

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G

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-
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H

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N
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D

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V

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L

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L

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M

D
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Y

-
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S
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Y
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H
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T

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L

A
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D

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A
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P

E
x
D

L
x
G

Y
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Y

E
x
A

T
x
K

F
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F

R

-

D

-

K
x
D

K
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K

D
x
G

D
x
S

C
x
P

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A

K
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K

V
x
F

V
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V

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D
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D

P
|
P

C46 (= C38) binding Zn(2+)
GSDQH 47:51 (≠ GSDLH 39:43) binding NAD(+)
H67 (= H60) binding Zn(2+)
C97 (= C90) binding Zn(2+)
C100 (= C93) binding Zn(2+)
C103 (= C96) binding Zn(2+)
C111 (= C104) binding Zn(2+)
D170 (= D169) binding Zn(2+)
T174 (= T173) binding NAD(+)
PV 197:198 (= PV 196:197) binding NAD(+)
DQ 218:219 (≠ DR 216:217) binding NAD(+)
R223 (= R221) binding NAD(+)
V263 (= V261) binding NAD(+)
H268 (= H266) binding NAD(+)
P299 (= P307) binding NAD(+)
PGI 299:301 (≠ PGV 307:309) binding NAD(+)
GMA 336:338 (≠ GQT 332:334) binding NAD(+)

Sites not aligning to the query:

1 modified: Initiator methionine, Removed
2:399 modified: mature protein, Formaldehyde dismutase

2dphA Crystal structure of formaldehyde dismutase
32% identity, 95% coverage: 2:388/407 of query aligns to 4:391/398 of 2dphA

query
sites
2dphA

K

K

A

S

L

V

R

V

W

Y

H

H

G

G

T

T

G

R

D

D

V

L

S

R

V

V

D

E

T

T

V

V

D

P

D

Y

P

P

Q

K

I

L

-

E

-

H

-

N

-

R

-

K

L

L

E

E

P

H

T

A

D

-

C

V

I

I

I

L

E

K

T

V

L

S

T

T

A

N

I

I

C
|
C

G
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G

S
|
S

D

D

L

Q

H
|
H

L

I

Y

Y

D

R

G

G

Y

R

I

F

P

-

T

I

M

V

E

P

D

K

G

G

D

H

I

V

L

L

G

G

H
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H

E
|
E

F

I

M

T

G

G

R

E

V

V

E

E

V

K

G

G

S

S

E

D

V

V

Q

E

N

L

L

M

K

D

K

I

G

G

D

D

R

L

V

V

V

S

V

V

P

P

F
|
F

P

N

I

V

A

A

C
|
C

G

G

H

R

C
|
C

H

R

Y

N

C
|
C

N

K

T

E

D

A

Q

R

Y

S

S

D

L

V

C
|
C

D

E

N

N

S

N

N
x
L

R

V

N

N

G

P

E

D

M

A

Q

D

A

L

E

G

A

A

Y

F

G

G

Y

F

A

D

A

-

G

-

I

-

F

-

G

-

Y

-

S

-

H

-

M

-

L

L

G

K

G

G

F

W

D

S

G

G

Q

Q

A

A

E

E

Y

Y

V

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R

L

V

V

P

P

Y

Y

A

A

D

D

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Y

G

M

P

L

M

L

K

K

V

F

P

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D

D

S

K

L

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T

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D

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E

E

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Q

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A

L

M

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E

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K

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I

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K

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D

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L

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T

F

L

L

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T
x
S

D
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D

I

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Y

L

P
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P

T
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T

G

G

Y

F

Q

H

A

G

A

C

V

V

N

S

C

A

D

G

I

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E

K

E

P

G

G

D

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T

H

V

V

V

Y

V

I

W
x
A

G
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G

S

A

G
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G

P
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P

V
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V

G

G

L

R

F

C

A

A

Q

A

I

A

S

G

A

A

K

R

M

L

L

L

G

G

A

A

N

A

V

C

I

V

G

I

I

V

-
x
G

D
|
D

R
x
Q

E

N

P

P

E

E

R
|
R

L

L

R

K

M

L

A

L

E

S

Q

D

F

-

A

A

G

G

S

F

A

E

T

T

I

I

N

D

F
x
L

E

R

D

N

-

S

-

A

-

P

-

L

E

R

D

D

V

Q

F

I

E

D

K

Q

L

I

K

L

G

G

L

K

N

P

D

E

G

-

R

-

G

-

P

V

D

D

A

C

C

G

I

V

D

D

A

A

V
|
V

G

G

L

F

E

E

A

A

H
|
H

G

G

L

L

G

G

L

D

T

E

G

A

A

N

A

T

Q

E

K

T

V

P

E

N

Q

G

T

A

L

L

K

-

L

-

Q

-

T

-

D

-

R

-

G

-

T

N

A

S

L

L

I

F

E

D

A

V

I

V

Q

R

S

A

C

-

G

-

K

-

G

G

T

A

V

I

S

G

I

I

P
|
P

G
|
G

V
x
I

Y

Y

G

V

G

G

V

S

-

D

-

P

-

D

-

P

I

V

N

N

-

K

-

D

-

A

-

G

-

S

-

G

-

R

-

L

H

H

F

L

N

D

I

F

G

G

A

K

A

M

F

W

G

T

K

K

G

S

L

I

T

R

F

I

K

M

M

T

G

G

Q

M

T
x
A

H

P

V

V

H

T

K

N

Y

Y

I

N

K

R

D

H

L

L

L

T

K

E

H

A

I

I

E

L

A

W

G

D

D

Q

L

M

D

P

-

Y

-

L

P

S

S

K

Y

V

I

M

I

N

T

I

H

E

K

V

A

I

P

T

L

L

A

D

K

Q

A

A

P

P

E

D

L

G

Y

Y

E

A

T

K

F

F

R

-

D

-

K

D

K

K

D

G

D

S

C

P

V

A

K
|
K

V

F

V

V

L

I

D

D

P

P

active site: C45 (= C38), G46 (= G39), S47 (= S40), H50 (= H43), H66 (= H60), E67 (= E61), C96 (= C90), C99 (= C93), C102 (= C96), C110 (= C104), L114 (≠ N108), S168 (≠ T168), D169 (= D169), P172 (= P172), K386 (= K383)
binding nicotinamide-adenine-dinucleotide: C45 (= C38), G46 (= G39), S47 (= S40), H50 (= H43), F92 (= F86), D169 (= D169), T173 (= T173), A192 (≠ W192), G193 (= G193), G195 (= G195), P196 (= P196), V197 (= V197), G216 (vs. gap), D217 (= D216), Q218 (≠ R217), R222 (= R221), L236 (≠ F236), V262 (= V261), H267 (= H266), P298 (= P307), G299 (= G308), I300 (≠ V309), A337 (≠ T334)
binding zinc ion: C45 (= C38), H66 (= H60), C96 (= C90), C99 (= C93), C102 (= C96), C110 (= C104), D169 (= D169)

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)
28% identity, 89% coverage: 25:386/407 of query aligns to 22:347/350 of 7ux4A

query
sites
7ux4A

P

P

T

F

D

D

C

A

I

I

I

V

E

R

T

P

T

L

L

A

T

V

A

A

I

P

C
|
C

G

T

S
|
S

D

D

L

I

H

H

-

T

L

V

Y

F

D

E

G

G

Y

A

I

I

P

G

T

E

M

R

E

H

D

N

G

-

D

M

I

I

L

L

G

G

H
|
H

E
|
E

F

A

M

V

G

G

R

E

V

V

E

E

V

V

G

G

S

S

E

E

V

V

Q

K

N

D

L

F

K

K

K

P

G

G

D

D

R

R

V

V

P

P

F

-

P

-

I

-

A

-

C

-

G

A

H

A

C

T

H

P

Y

D

C

W

N

R

T

T

D

S

Q

E

Y

V

S

Q

L

R

C

G

D

Y

N

H

S

Q

N

H

R

S

N

G

G

G

E

M

M

L

Q

A

A

G

E
x
W

A

K

Y

F

G

S

Y

N

A

V

A

K

A

D

G

G

I

V

F

F

G

G

Y

-

S

-

H

-

M

-

L

-

G

-

F

-

D

-

G

-

Q

-

A

-

E

E

Y

F

V

F

R

H

V

V

P

N

Y

D

A

A

D

D

V

M

G

N

P

L

M

A

K

H

V

L

P

P

D

K

S

E

L

I

T

P

D

L

E

E

Q

A

V

A

L

V

F

M

L

I

T

P

D
|
D

I

M

Y

M

P

T

T
|
T

G

G

Y

F

Q

H

A

G

A

A

V

E

N

L

C

A

D

D

I

I

E

E

E

L

G

G

D

A

T

T

V

V

V

A

V

V

W

L

G
|
G

S
x
I

G
|
G

P
|
P

V
|
V

G

G

L

L

F

M

A

A

Q

V

I

A

S

G

A

A

K

K

M

L

L

R

G

G

A

A

-

G

N

R

V

I

I

I

G

A

I

V

D

G

R

S

E
x
R

P

P

E

V

R

C

L

V

R

D

M

A

A

A

E

K

Q

Y

F

Y

A

G

G

A

S

T

A

D

T

I

I

V

N

N

F

Y

E

K

D

D

E

G

D

P

V

I

F

E

E

S

K

Q

L

I

K

M

G

N

L

L

N

T

D

E

G

G

R

K

G

G

P

V

D

D

A

A

C

A

I

I

D

I

A

A

V

-

G

-

L

-

E

-

A

-

H

-

G

-

L

-

G

-

L

-

T

G

G
|
G

A

N

A

A

Q

D

K

I

V

M

E

A

Q

T

T

A

L

V

K

K

L

I

Q

V

T

K

D

P

R

G

G

G

T

T

A

-

L

-

I

I

E

A

A

N

I
x
V

Q
x
N

S
x
Y

C

F

G

G

K

E

G

G

G

E

T

V

V

L

S

P

I

V

P

P

G

R

V

L

-

E

Y

W

G

G

G

C

V

G

I

M

N

A

H

H

F

K

N

T

I

I

G

K

A

G

F

L

G
x
C

K

P

G

G

L

G

T

R

F

L

K

R

M

M

G

-

Q

-

T

-

H

-

V

-

H

-

K

-

Y

-

I

-

K

E

D

R

L

L

L

I

K

D

H

L

I

V

E

F

A

Y

G

K

D

R

L

V

D

D

P

P

S

S

Y

K

I

L

I

V

T

T

H

H

K

V

-

F

A

R

P

G

L

F

A

D

K

N

A

I

P

E

E

K

L

A

Y

F

E

M

T

L

F

M

R

K

D

D

K

K

K

P

D

K

D

D

C

L

V

I

K

K

V

P

V

V

L

V

binding nadp nicotinamide-adenine-dinucleotide phosphate: D148 (= D169), T152 (= T173), G172 (= G193), I173 (≠ S194), G174 (= G195), P175 (= P196), V176 (= V197), R198 (≠ E218), G242 (= G272), V263 (≠ I295), N264 (≠ Q296), Y265 (≠ S297), C293 (≠ G324)
binding (1S,3S)-3-methylcyclohexan-1-ol: S37 (= S40), H57 (= H60), W108 (≠ E116), D148 (= D169)
binding zinc ion: C35 (= C38), H57 (= H60), E58 (= E61), D148 (= D169)

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)
28% identity, 89% coverage: 25:386/407 of query aligns to 24:349/352 of 7uutA

query
sites
7uutA

P

P

T

F

D

D

C

A

I

I

I

V

E

R

T

P

T

L

L

A

T

V

A

A

I

P

C
|
C

G
x
T

S
|
S

D

D

L

I

H

H

-

T

L

V

Y

F

D

E

G

G

Y

A

I

I

P

G

T

E

M

R

E

H

D

N

G

-

D

M

I

I

L

L

G

G

H
|
H

E

E

F

A

M

V

G

G

R

E

V

V

E

E

V

V

G

G

S

S

E

E

V

V

Q

K

N

D

L

F

K

K

K

P

G

G

D

D

R

R

V

V

P

P

F

-

P

-

I

-

A

-

C

-

G
x
A

H

A

C

T

H

P

Y

D

C

W

N

R

T

T

D

S

Q

E

Y

V

S

Q

L

R

C

G

D

Y

N

H

S

Q

N

H

R

S

N

G

G

G

E

M

M

L

Q

A

A

G

E
x
W

A

K

Y

F

G

S

Y

N

A

V

A

K

A

D

G

G

I

V

F

F

G

G

Y

-

S

-

H

-

M

-

L

-

G

-

F

-

D

-

G

-

Q

-

A

-

E

E

Y

F

V

F

R

H

V

V

P

N

Y

D

A

A

D

D

V

M

G

N

P

L

M

A

K

H

V

L

P

P

D

K

S

E

L

I

T

P

D

L

E

E

Q

A

V

A

L

V

F

M

L

I

T

P

D
|
D

I

M

Y

M

P

T

T
|
T

G

G

Y

F

Q

H

A

G

A

A

V

E

N

L

C

A

D

D

I

I

E

E

E

L

G

G

D

A

T

T

V

V

V

A

V

V

W

L

G
|
G

S

I

G
|
G

P
|
P

V
|
V

G

G

L

L

F

M

A

A

Q

V

I

A

S

G

A

A

K

K

M

L

L

R

G

G

A

A

-

G

N

R

V

I

I

I

G

A

I

V

D

G

R
x
S

E
x
R

P

P

E

V

R

C

L

V

R

D

M

A

A

A

E

K

Q

Y

F

Y

A

G

G

A

S

T

A

D

T

I

I

V

N

N

F

Y

E

K

D

D

E

G

D

P

V

I

F

E

E

S

K

Q

L

I

K

M

G

N

L

L

N

T

D

E

G

G

R

K

G

G

P

V

D

D

A

A

C

A

I

I

D

I

A
|
A

V

-

G

-

L

-

E

-

A

-

H

-

G

-

L

-

G

-

L

-

T
x
G

G
|
G

A

N

A

A

Q

D

K
x
I

V

M

E

A

Q

T

T

A

L

V

K

K

L

I

Q

V

T

K

D

P

R

G

G

G

T

T

A

-

L

-

I

I

E

A

A

N

I
x
V

Q
x
N

S
x
Y

C

F

G

G

K

E

G

G

G

E

T

V

V

L

S

P

I

V

P

P

G

R

V

L

-

E

Y

W

G

G

G

C

V

G

I

M

N

A

H

H

F

K

N

T

I

I

G

K

A

G

F

L

G
x
C

K

P

G

G

L

G

T

R

F

L

K

R

M

M

G

-

Q

-

T

-

H

-

V

-

H

-

K

-

Y

-

I

-

K

E

D

R

L

L

L

I

K

D

H

L

I

V

E

F

A

Y

G

K

D

R

L

V

D

D

P

P

S

S

Y

K

I

L

I

V

T

T

H

H

K

V

-

F

A

R

P

G

L

F

A

D

K

N

A

I

P

E

E

K

L

A

Y

F

E

M

T

L

F

M

R

K

D

D

K
|
K

K

P

D

K

D

D

C

L

V

I

K

K

V

P

V

V

L

V

binding (2R)-pentan-2-ol: S39 (= S40), H59 (= H60), A85 (≠ G91), W110 (≠ E116), D150 (= D169), C295 (≠ G324)
binding nadp nicotinamide-adenine-dinucleotide phosphate: C37 (= C38), T38 (≠ G39), S39 (= S40), D150 (= D169), T154 (= T173), G174 (= G193), G176 (= G195), P177 (= P196), V178 (= V197), S199 (≠ R217), R200 (≠ E218), A242 (= A260), G243 (≠ T271), G244 (= G272), I248 (≠ K276), V265 (≠ I295), N266 (≠ Q296), Y267 (≠ S297), C295 (≠ G324), K340 (= K377)
binding zinc ion: C37 (= C38), H59 (= H60), D150 (= D169)

1ykfA NADP-dependent alcohol dehydrogenase from thermoanaerobium brockii (see paper)
28% identity, 89% coverage: 25:386/407 of query aligns to 24:349/352 of 1ykfA

query
sites
1ykfA

P

P

T

F

D

D

C

A

I

I

I

V

E

R

T

P

T

L

L

A

T

V

A

A

I

P

C
|
C

G
x
T

S
|
S

D

D

L

I

H
|
H

-

T

L

V

Y

F

D

E

G

G

Y

A

I

I

P

G

T

E

M

R

E

H

D

N

G

-

D

M

I

I

L

L

G

G

H
|
H

E
|
E

F

A

M

V

G

G

R

E

V

V

E

E

V

V

G

G

S

S

E

E

V

V

Q

K

N

D

L

F

K

K

K

P

G

G

D

D

R

R

V

V

P

P

F

-

P

-

I

-

A

-

C

-

G

A

H

I

C

T

H

P

Y
x
D

C

W

N

R

T
|
T

D

S

Q

E

Y
x
V

S

Q

L

R

C

G

D

Y

N

H

S

Q

N

H

R
x
S

N

G

G

G

E

M

M

L

Q

A

A

G

E

W

A

K

Y

F

G

S

Y

N

A

V

A

K

A

D

G

G

I

V

F

F

G

G

Y

-

S

-

H

-

M

-

L

-

G

-

F

-

D

-

G

-

Q

-

A

-

E

E

Y

F

V

F

R

H

V

V

P

N

Y

D

A

A

D

D

V

M

G

N

P

L

M

A

K

H

V

L

P

P

D

K

S

E

L

I

T

P

D

L

E

E

Q

A

V

A

L

V

F

M

L

I

T

P

D
|
D

I

M

Y

M

P

T

T
|
T

G

G

Y

F

Q

H

A

G

A

A

V

E

N

L

C

A

D

D

I

I

E

E

E

L

G

G

D

A

T

T

V

V

V

A

V

V

W

L

G
|
G

S
x
I

G
|
G

P
|
P

V
|
V

G

G

L

L

F

M

A

A

Q

V

I

A

S

G

A

A

K

K

M

L

L

R

G

G

A

A

-

G

N

R

V

I

I

I

G

A

I

V

D

G

R
x
S

E
x
R

P

P

E

V

R

C

L

V

R

D

M

A

A

A

E

K

Q

Y

F

Y

A

G

G

A

S

T

A

D

T

I

I

V

N

N

F
x
Y

E

K

D

D

E

G

D

P

V
x
I

F

E

E

S

K

Q

L

I

K

M

G

N

L

L

N

T

D

E

G

G

R

K

G

G

P

V

D

D

A

A

C

A

I

I

D

I

A

A

V

-

G

-

L

-

E

-

A

-

H

-

G

-

L

-

G

-

L

-

T

G

G

G

A

N

A

A

Q

D

K

I

V

M

E

A

Q

T

T

A

L

V

K

K

L

I

Q

V

T

K

D

P

R

G

G

G

T

T

A

-

L

-

I

I

E

A

A

N

I

V

Q
x
N

S
x
Y

C

F

G

G

K

E

G

G

G

E

T

V

V

L

S

P

I

V

P

P

G

R

V

L

-

E

Y

W

G

G

G

C

V

G

I

M

N

A

H

H

F

K

N

T

I

I

G

K

A

G

F

L

G

C

K

P

G

G

L

G

T

R

F

L

K

R

M

M

G

-

Q

-

T

-

H

-

V

-

H

-

K

-

Y

-

I

-

K

E

D

R

L

L

L

I

K

D

H

L

I

V

E

F

A

Y

G

K

D

R

L

V

D

D

P

P

S

S

Y

K

I

L

I

V

T

T

H

H

K

V

-

F

A

R

P

G

L

F

A

D

K

N

A

I

P

E

E

K

L

A

Y

F

E

M

T

L

F

M

R

K

D

D

K

K

K

P

D

K

D

D

C

L

V

I

K
|
K

V

P

V

V

L

V

active site: C37 (= C38), T38 (≠ G39), S39 (= S40), H42 (= H43), H59 (= H60), E60 (= E61), D89 (≠ Y95), T92 (= T98), V95 (≠ Y101), S103 (≠ R109), D150 (= D169), T154 (= T173), K346 (= K383)
binding nadp nicotinamide-adenine-dinucleotide phosphate: S39 (= S40), D150 (= D169), T154 (= T173), G174 (= G193), I175 (≠ S194), G176 (= G195), P177 (= P196), V178 (= V197), S199 (≠ R217), R200 (≠ E218), Y218 (≠ F236), I223 (≠ V241), N266 (≠ Q296), Y267 (≠ S297)
binding zinc ion: C37 (= C38), H59 (= H60), D150 (= D169)

1bxzB Crystal structure of a thermophilic alcohol dehydrogenase substrate complex from thermoanaerobacter brockii (see paper)
28% identity, 89% coverage: 25:386/407 of query aligns to 24:349/352 of 1bxzB

query
sites
1bxzB

P

P

T

F

D

D

C

A

I

I

I

V

E

R

T

P

T

L

L

A

T

V

A

A

I

P

C
|
C

G
x
T

S
|
S

D

D

L

I

H
|
H

-

T

L

V

Y

F

D

E

G

G

Y

A

I

I

P

G

T

E

M

R

E

H

D

N

G

-

D

M

I

I

L

L

G

G

H
|
H

E
|
E

F

A

M

V

G

G

R

E

V

V

E

E

V

V

G

G

S

S

E

E

V

V

Q

K

N

D

L

F

K

K

K

P

G

G

D

D

R

R

V

V

P

P

F

-

P

-

I

-

A

-

C

-

G

A

H

I

C

T

H

P

Y
x
D

C

W

N

R

T
|
T

D

S

Q

E

Y
x
V

S

Q

L

R

C

G

D

Y

N

H

S

Q

N

H

R
x
S

N

G

G

G

E

M

M

L

Q

A

A

G

E

W

A

K

Y

F

G

S

Y

N

A

V

A

K

A

D

G

G

I

V

F

F

G

G

Y

-

S

-

H

-

M

-

L

-

G

-

F

-

D

-

G

-

Q

-

A

-

E

E

Y

F

V

F

R

H

V

V

P

N

Y

D

A

A

D

D

V

M

G

N

P

L

M

A

K

H

V

L

P

P

D

K

S

E

L

I

T

P

D

L

E

E

Q

A

V

A

L

V

F

M

L

I

T

P

D
|
D

I

M

Y

M

P

T

T
|
T

G

G

Y

F

Q

H

A

G

A

A

V

E

N

L

C

A

D

D

I

I

E

E

E

L

G

G

D

A

T

T

V

V

V

A

V

V

W

L

G

G

S

I

G

G

P

P

V

V

G

G

L

L

F

M

A

A

Q

V

I

A

S

G

A

A

K

K

M

L

L

R

G

G

A

A

-

G

N

R

V

I

I

I

G

A

I

V

D

G

R

S

E

R

P

P

E

V

R

C

L

V

R

D

M

A

A

A

E

K

Q

Y

F

Y

A

G

G

A

S

T

A

D

T

I

I

V

N

N

F

Y

E

K

D

D

E

G

D

P

V

I

F

E

E

S

K

Q

L

I

K

M

G

N

L

L

N

T

D

E

G

G

R

K

G

G

P

V

D

D

A

A

C

A

I

I

D

I

A

A

V

-

G

-

L

-

E

-

A

-

H

-

G

-

L

-

G

-

L

-

T

G

G

G

A

N

A

A

Q

D

K

I

V

M

E

A

Q

T

T

A

L

V

K

K

L

I

Q

V

T

K

D

P

R

G

G

G

T

T

A

-

L

-

I

I

E

A

A

N

I

V

Q

N

S

Y

C

F

G

G

K

E

G

G

G

E

T

V

V

L

S

P

I

V

P

P

G

R

V

L

-

E

Y

W

G

G

G

C

V

G

I

M

N

A

H

H

F

K

N

T

I

I

G

K

A

G

F

L

G

C

K

P

G

G

L

G

T

R

F

L

K

R

M

M

G

-

Q

-

T

-

H

-

V

-

H

-

K

-

Y

-

I

-

K

E

D

R

L

L

L

I

K

D

H

L

I

V

E

F

A

Y

G

K

D

R

L

V

D

D

P

P

S

S

Y

K

I

L

I

V

T

T

H

H

K

V

-

F

A

R

P

G

L

F

A

D

K

N

A

I

P

E

E

K

L

A

Y

F

E

M

T

L

F

M

R

K

D

D

K

K

K

P

D

K

D

D

C

L

V

I

K
|
K

V

P

V

V

L

V

active site: C37 (= C38), T38 (≠ G39), S39 (= S40), H42 (= H43), H59 (= H60), E60 (= E61), D89 (≠ Y95), T92 (= T98), V95 (≠ Y101), S103 (≠ R109), D150 (= D169), T154 (= T173), K346 (= K383)
binding 2-butanol: H59 (= H60), D150 (= D169)

P14941 NADP-dependent isopropanol dehydrogenase; EC 1.1.1.80 from Thermoanaerobacter brockii (Thermoanaerobium brockii) (see 2 papers)
28% identity, 89% coverage: 25:386/407 of query aligns to 24:349/352 of P14941

query
sites
P14941

P

P

T

F

D

D

C

A

I

I

I

V

E

R

T

P

T

L

L

A

T

V

A

A

I

P

C
|
C

G

T

S

S

D

D

L

I

H

H

-

T

L

V

Y

F

D

E

G

G

Y

A

I

I

P

G

T

E

M

R

E

H

D

N

G

-

D

M

I

I

L

L

G

G

H
|
H

E

E

F

A

M

V

G

G

R

E

V

V

E

E

V

V

G

G

S

S

E

E

V

V

Q

K

N

D

L

F

K

K

K

P

G

G

D

D

R

R

V

V

P

P

F

-

P

-

I

-

A

-

C

-

G

A

H

I

C

T

H

P

Y

D

C

W

N

R

T

T

D

S

Q

E

Y

V

S

Q

L

R

C

G

D

Y

N

H

S

Q

N

H

R

S

N

G

G

G

E

M

M

L

Q

A

A

G

E

W

A

K

Y

F

G

S

Y

N

A

V

A

K

A

D

G

G

I

V

F

F

G

G

Y

-

S

-

H

-

M

-

L

-

G

-

F

-

D

-

G

-

Q

-

A

-

E

E

Y

F

V

F

R

H

V

V

P

N

Y

D

A

A

D

D

V

M

G

N

P

L

M

A

K

H

V

L

P

P

D

K

S

E

L

I

T

P

D

L

E

E

Q

A

V

A

L

V

F

M

L

I

T

P

D
|
D

I

M

Y

M

P

T

T

T

G

G

Y

F

Q

H

A

G

A

A

V

E

N

L

C

A

D

D

I

I

E

E

E

L

G

G

D

A

T

T

V

V

V

A

V

V

W

L

G

G

S
x
I

G
|
G

P
|
P

V
|
V

G

G

L

L

F

M

A

A

Q

V

I

A

S

G

A

A

K

K

M

L

L

R

G

G

A

A

-

G

N

R

V

I

I

I

G

A

I

V

D
x
G

R
x
S

E
x
R

P

P

E

V

R

C

L

V

R

D

M

A

A

A

E

K

Q

Y

F

Y

A

G

G

A

S

T

A

D

T

I

I

V

N

N

F
x
Y

E

K

D

D

E

G

D

P

V

I

F

E

E

S

K

Q

L

I

K

M

G

N

L

L

N

T

D

E

G

G

R

K

G

G

P

V

D

D

A

A

C

A

I

I

D

I

A

A

V

-

G

-

L

-

E

-

A

-

H

-

G

-

L

-

G

-

L

-

T

G

G

G

A

N

A

A

Q

D

K

I

V

M

E

A

Q

T

T

A

L

V

K

K

L

I

Q

V

T

K

D

P

R

G

G

G

T

T

A

-

L

-

I

I

E

A

A

N

I
x
V

Q
x
N

S
x
Y

C

F

G

G

K

E

G

G

G

E

T

V

V

L

S

P

I

V

P

P

G

R

V

L

-

E

Y

W

G

G

G

C

V

G

I

M

N

A

H

H

F

K

N

T

I

I

G

K

A

G

F

L

G

C

K

P

G

G

L

G

T

R

F

L

K

R

M

M

G

-

Q

-

T

-

H

-

V

-

H

-

K

-

Y

-

I

-

K

E

D

R

L

L

L

I

K

D

H

L

I

V

E

F

A

Y

G

K

D

R

L

V

D

D

P

P

S

S

Y

K

I

L

I

V

T

T

H

H

K

V

-

F

A

R

P

G

L

F

A

D

K

N

A

I

P

E

E

K

L

A

Y

F

E

M

T

L

F

M

R

K

D

D

K
|
K

K

P

D

K

D

D

C

L

V

I

K

K

V

P

V

V

L

V

C37 (= C38) binding Zn(2+)
H59 (= H60) binding Zn(2+)
D150 (= D169) binding Zn(2+)
IGPV 175:178 (≠ SGPV 194:197) binding NADP(+)
GSR 198:200 (≠ DRE 216:218) binding NADP(+)
Y218 (≠ F236) binding NADP(+)
VNY 265:267 (≠ IQS 295:297) binding NADP(+)
K340 (= K377) binding NADP(+)

7f3pD Crystal structure of a NADP-dependent alcohol dehydrogenase mutant in apo form (see paper)
28% identity, 89% coverage: 25:386/407 of query aligns to 27:352/355 of 7f3pD

query
sites
7f3pD

P

P

T

F

D

D

C

A

I

I

I

V

E

R

T

P

T

L

L

A

T

V

A

A

I

P

C
|
C

G

T

S

S

D

D

L

I

H

H

-

T

L

V

Y

F

D

E

G

G

Y

A

I

I

P

G

T

E

M

R

E

H

D

N

G

-

D

M

I

I

L

L

G

G

H
|
H

E

E

F

A

M

V

G

G

R

E

V

V

E

E

V

V

G

G

S

S

E

E

V

V

Q

K

N

D

L

F

K

K

K

P

G

G

D

D

R

R

V

V

P

-

F

-

P

-

I

-

A

-

C

-

G

-

H

-

C

-

H

-

Y

-

C

-

N

-

T

-

D

-

Q

-

Y

-

S

S

L

A

C

L

D

T

N

P

S

D

N

W

R

R

N

T

G

S

E

E

M

V

Q

Q

A

-

E

R

A

G

Y

Y

G

H

Y

Q

A

H

A

S

A

G

G

G

I

M

F

L

G

A

Y

G

S

W

H

K

M

F

L

S

G

N

G

V

F

K

D

D

G

G

G

V

Q

F

A

G

E

E

Y

F

V

F

R

H

V

V

P

N

Y

D

A

A

D

D

V

M

G

N

P

L

M

A

K

H

V

L

P

P

D

K

S

E

L

I

T

P

D

L

E

E

Q

A

V

A

L

V

F

M

L

I

T

P

D
|
D

I

M

Y

M

P

T

T

T

G

G

Y

F

Q

H

A

G

A

A

V

E

N

L

C

A

D

D

I

I

E

E

E

L

G

G

D

A

T

T

V

V

V

A

V

V

W

L

G

G

S

I

G

G

P

P

V

V

G

G

L

L

F

M

A

A

Q

V

I

A

S

G

A

A

K

K

M

L

L

R

G

G

A

A

-

G

N

R

V

I

I

I

G

A

I

V

D

G

R

S

E

R

P

P

E

V

R

C

L

V

R

D

M

A

A

A

E

K

Q

Y

F

Y

A

G

G

A

S

T

A

D

T

I

I

V

N

N

F

Y

E

K

D

D

E

G

D

P

V

I

F

E

E

S

K

Q

L

I

K

M

G

N

L

L

N

T

D

E

G

G

R

K

G

G

P

V

D

D

A

A

C

A

I

I

D

I

A

A

V

-

G

-

L

-

E

-

A

-

H

-

G

-

L

-

G

-

L

-

T

G

G

G

A

N

A

A

Q

D

K

I

V

M

E

A

Q

T

T

A

L

V

K

K

L

I

Q

V

T

K

D

P

R

G

G

G

T

T

A

-

L

-

I

I

E

A

A

N

I

V

Q

N

S

Y

C

F

G

G

K

E

G

G

G

E

T

V

V

L

S

P

I

V

P

P

G

R

V

L

-

E

Y

W

G

G

G

C

V

G

I

M

N

A

H

H

F

K

N

T

I

I

G

K

A

G

F

L

G

C

K

P

G

G

L

G

T

R

F

L

K

R

M

M

G

-

Q

-

T

-

H

-

V

-

H

-

K

-

Y

-

I

-

K

E

D

R

L

L

L

I

K

D

H

L

I

V

E

F

A

Y

G

K

D

R

L

V

D

D

P

P

S

S

Y

K

I

L

I

V

T

T

H

H

K

V

-

F

A

R

P

G

L

F

A

D

K

N

A

I

P

E

E

K

L

A

Y

F

E

M

T

L

F

M

R

K

D

D

K

K

K

P

D

K

D

D

C

L

V

I

K

K

V

P

V

V

L

V

binding zinc ion: C40 (= C38), H62 (= H60), D153 (= D169)

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)
28% identity, 88% coverage: 27:386/407 of query aligns to 26:349/351 of 3fplA

query
sites
3fplA

D

D

C

A

I

I

I

V

E

R

T

P

T

L

L

A

T

V

A

S

I

P

C
|
C

G
x
T

S
|
S

D

D

L

I

H
|
H

-

T

L

V

Y

F

D

E

G

G

Y

A

I

L

P

G

T

D

M

R

E

K

D

N

G

-

D

M

I

I

L

L

G

G

H
|
H

E
|
E

F

A

M

V

G

G

R

E

V

V

E

E

V

V

G

G

S

S

E

E

V

V

Q

K

N

D

L

F

K

K

K

P

G

G

D

D

R

R

V

V

V

I

V

V

P

P

F

-

P

-

I

-

A

-

C

-

G

-

H

-

C

-

H

-

Y

-

C

C

N

T

T

T

D

P

Q
x
D

Y

W

S

-

L

-

C

-

D

-

N

-

S

-

N

-

R

R

N
x
S

G

L

E

E

M
x
V

Q

Q

A

A

E

G

A

F

Y

Q

G

Q

Y

H

A
x
S

A

N

A

G

G

M

I

L

F

A

G

G

Y

W

S

K

H

-

M

-

L

F

G

S

G

N

F

F

-

K

D

D

G

G

G

V

Q

F

A

G

E

E

Y

Y

V

F

R

H

V

V

P

N

Y

D

A

A

D

D

V

M

G

N

P

L

M

A

K

I

V

L

P

P

D

K

S

D

L

M

T

P

D

L

E

E

Q

N

V

A

L

V

F

M

L

I

T

T

D
|
D

I

M

Y

M

P

T

T
|
T

G

G

Y

F

Q

H

A

G

A

A

V

E

N

L

C

A

D

D

I

I

E

E

E

L

G

G

D

A

T

T

V

V

V

A

V

V

W

L

G

G

S

I

G

G

P

P

V

V

G

G

L

L

F

M

A

A

Q

V

I

A

S

G

A

A

K

K

M

L

L

R

G

G

A

A

-

G

N

R

V

I

I

I

G

A

I

V

D

G

R

S

E

R

P

P

E

V

R

C

L

V

R

D

M

A

A

A

E

K

Q

Y

F

Y

A

G

G

A

S

T

A

D

T

I

I

V

N

N

F

Y

E

K

D

D

E

G

D

P

V

I

F

E

E

S

K

Q

L

I

K

M

G

N

L

L

N

T

D

E

G

G

R

K

G

G

P

V

D

D

A

A

C

A

I

I

D

I

A

A

V

-

G

-

L

-

E

-

A

-

H

-

G

-

L

-

G

-

L

-

T

G

G

G

A

N

A

A

Q

D

K

I

V

M

E

A

Q

T

T

A

L

V

K

K

L

I

Q

V

T

K

D

P

R

G

G

G

T

T

A

-

L

-

I

I

E

A

A

N

I

V

Q

N

S

Y

C

F

G

G

K

E

G

G

G

E

T

V

V

L

S

P

I

V

P

P

G

R

V

L

-

E

Y

W

G

G

G

C

V

G

I

M

N

A

H

H

F

K

N

T

I

I

G

K

A

G

F

L

G

C

K

P

G

G

L

G

T

R

F

L

K

R

M

-

G

-

Q

-

T

-

H

-

V

-

H

A

K

E

Y

M

I

L

K

R

D

D

L

M

L

V

K

V

H

Y

I

-

E

-

A

-

G

N

D

R

L

V

D

D

P

L

S

S

Y

K

I

L

I

V

T

T

H

H

-

V

K

Y

A

H

P

G

L

F

A

D

K

H

A

I

P

E

E

E

L

A

Y

L

E

L

T

L

F

M

R

K

D

D

K

K

K

P

D

K

D

D

C

L

V

I

K
|
K

V

A

V

V

L

V

active site: C37 (= C38), T38 (≠ G39), S39 (= S40), H42 (= H43), H59 (= H60), E60 (= E61), D89 (≠ Q100), S92 (≠ N110), V95 (≠ M113), S103 (≠ A121), D150 (= D169), T154 (= T173), K346 (= K383)
binding zinc ion: C37 (= C38), H59 (= H60), D150 (= D169)

7xy9A Cryo-em structure of secondary alcohol dehydrogenases tbsadh after carrier-free immobilization based on weak intermolecular interactions (see paper)
34% identity, 58% coverage: 25:262/407 of query aligns to 25:245/344 of 7xy9A

query
sites
7xy9A

P

P

T

F

D

D

C

A

I

I

I

V

E

R

T

P

T

L

L

A

T

V

A

A

I

P

C
|
C

G

T

S

S

D

D

L

I

H

H

-

T

L

V

Y

F

D

E

G

G

Y

A

I

I

P

G

T

E

M

R

E

H

D

N

G

-

D

M

I

I

L

L

G

G

H
|
H

E
|
E

F

A

M

V

G

G

R

E

V

V

E

E

V

V

G

G

S

S

E

E

V

V

Q

K

N

D

L

F

K

K

K

P

G

G

D

D

R

R

V

V

P

P

F

-

P

-

I

-

A

-

C

-

G

-

H

-

C

-

H

-

Y

-

C

A

N

N

T

T

D

P

Q

D

Y

W

S

-

L

-

C

-

D

-

N

-

S

-

N

-

R

R

N

T

G

S

E

E

M

V

Q

Q

A

-

E

R

A

G

Y

Y

G
x
H

Y

Q

A
x
H

A

S

A

G

G

G

I

M

F

L

G

A

Y

G

S

W

H

K

M

F

L

S

G

N

G

V

F

K

D

D

G

G

G

V

Q

F

A

G

E

E

Y

F

V

F

R

H

V

V

P

N

Y

D

A

A

D

D

V

M

G

N

P

L

M

A

K

H

V

L

P

P

D

K

S

E

L

I

T

P

D

L

E

E

Q

A

V

A

L

V

F

M

L

I

T

P

D
|
D

I

M

Y

M

P

T

T

T

G

G

Y

F

Q
x
H

A

G

A

A

V

E

N

L

C

A

D

D

I

I

E

E

E

L

G

G

D

A

T

T

V

V

V

A

V

V

W

L

G

G

S

I

G

G

P

P

V

V

G

G

L

L

F

M

A

A

Q

V

I

A

S

G

A

A

K

K

M

L

L

R

G

G

A

A

-

G

N

R

V

I

I

I

G

A

I

V

D

G

R

S

E

R

P

P

E

V

R

C

L

V

R

D

M

A

A

A

E

K

Q

Y

F

Y

A

G

G

A

S

T

A

D

T

I

I

V

N

N

F

Y

E

K

D

D

E

G

D

P

V

I

F

E

E

S

K

Q

L

I

K

M

G

N

L

L

N

T

D

E

G

G

R

K

G

G

P

V

D

D

A

A

C

A

I

I

D

I

A

A

V

G

G

G

binding magnesium ion: H101 (≠ G119), H103 (≠ A121), H158 (≠ Q176)
binding zinc ion: C38 (= C38), H60 (= H60), E61 (= E61), D151 (= D169)

Sites not aligning to the query:

binding magnesium ion: 288, 290, 291, 293, 294

O58389 L-threonine 3-dehydrogenase; L-ThrDH; TDH; L-threonine dehydrogenase; EC 1.1.1.103 from Pyrococcus horikoshii (strain ATCC 700860 / DSM 12428 / JCM 9974 / NBRC 100139 / OT-3) (see 2 papers)
29% identity, 95% coverage: 1:386/407 of query aligns to 9:347/348 of O58389

query
sites
O58389

M

M

K

K

A

T

L

K

R

P

W

G

H

Y

G

G

T

A

G

E

D

L

V

V

S

E

V

V

D

D

T

-

V

V

D

P

D

K

P

P

Q

G

I

-

L

-

E

-

P

P

T

G

D

E

C

V

I

L

I

I

E

K

T

V

T

L

L

A

T

T

A

S

I

I

C
|
C

G

G

S
x
T

D

D

L

L

H

H

L

I

Y

Y

D

E

G

W

-

N

-

E

-

W

Y

A

I

Q

P

S

T

R

M

I

E

K

D

P

G

P

D

Q

I

I

L

M

G

G

H
|
H

E
|
E

F

V

M

A

G

G

R

E

V

V

E

E

V

I

G

G

S

P

E

G

V

V

Q

E

N

G

L

I

K

E

K

V

G

G

D

D

R

Y

V

V

V

S

V

V

P

E

F

T

P

H

I

I

A

V

C
|
C

G

G

H

K

C
|
C

H

Y

Y

A

C
|
C

N

R

T

R

D

G

Q

Q

Y

Y

S

H

L

V

C
|
C

D

Q

N

N

S

T

N

K

R

-

N

-

G

-

E

-

M

-

Q

-

A

-

E

-

A

-

Y

-

G

-

Y

-

A

-

G

-

I

I

F

F

G

G

Y

V

S

D

H

T

M

-

L

-

G

-

F

-

D

D

G

G

G

V

Q

F

A

A

E

E

Y

Y

V

A

R

V

V

V

P

P

Y

A

A

Q

D

N

V

I

G

-

P

-

M

W

K

K

V

N

P

P

D

K

S

S

L

I

T

P

D

P

E

E

Q

-

V

-

L

-

F

Y

L

A

T

T

D

L

I

Q

Y
x
E

P

P

T

L

G

G

Y

N

Q

A

A

V

-

D

A

T

V

V

N

L

C

A

D

G

I

P

E

I

E

S

G

G

D

K

T

S

V

V

V

L

V

I

W

T

G

G

S

A

G

G

P

P

V
x
L

G

G

L

L

F

L

A

G

Q

I

I

A

S

V

A

A

K

K

M

A

L

S

G

G

A

A

N

Y

V

P

I

V

G

-

I

I

D

V

R

S

E
|
E

P

P

E

S

R

D

L

F

R
|
R

-

R

-

E

M

L

A

A

E

K

Q

K

F

V

A

G

G

A

S

D

A

Y

T

V

I

I

N

N

F

P

E

F

D

E

E

E

D

D

V

V

F

V

E

K

K

E

L

V

K

M

G

D

L

I

N

T

D

D

G

G

R

N

G

G

P

V

D

D

A

V

C

F

I

L

D

E

A

-

V

-

G

-

L

-

E

-

A

-

H

-

G

-

L

-

G

-

L

F

T

S

G

G

A

A

A

P

Q

K

K

A

V

L

E

E

Q

Q

T

G

L

L

K

-

L

-

Q

-

T

-

D

-

R

-

G

-

T

-

A

-

L

-

I

-

E

-

A

-

I

-

Q

Q

S

A

C

V

G

T

K

P

G

A

G

G

T

R

V

V

S

S

I

L

P
x
L

G
|
G

V
x
L

Y

Y

-

P

G

G

G

K

V

V

I

T

N

I

H

D

F

F

N

N

I

N

G

L

A

I

F

F

G

K

K

A

G

L

L

T

T

I

F

Y

K

G

M
x
I

G
x
T

Q

G

T
x
R

H

H

V

L

H

W

K

E

Y

T

I

W

K

Y

D

T

L

V

L

S

K

R

H

L

I

L

E

Q

A

S

G

G

D

K

L

L

D

N

P

L

S

D

Y

P

I

I

T

T

H

H

K

K

A

Y

P

K

-

G

L

F

A

D

K

K

A

Y

P

E

E

E

L

A

Y

F

E

E

T

L

F

M

R

R

D

A

K

G

K

K

D

T

D

G

C

K

V

V

K

V

V

F

V

M

L

L

C42 (= C38) binding Zn(2+)
T44 (≠ S40) mutation to A: Total loss of enzymatic activity.
H67 (= H60) binding Zn(2+)
E68 (= E61) binding Zn(2+)
C97 (= C90) binding Zn(2+)
C100 (= C93) binding Zn(2+)
C103 (= C96) binding Zn(2+)
C111 (= C104) binding Zn(2+)
E152 (≠ Y171) mutation E->A,Q: Almost complete loss of enzymatic activity.; mutation to C: 120-fold decrease in catalytic efficiency.; mutation to D: Shows 3-fold higher turnover rate and reduced affinities toward L-threonine and NAD(+), compared to wild-type.; mutation to K: Total loss of enzymatic activity.
L179 (≠ V197) binding NAD(+)
E199 (= E218) binding NAD(+); mutation to A: Large decrease in affinity for NAD(+).
R204 (= R223) binding NAD(+); mutation to A: Large decrease in affinity for NAD(+).
LGL 266:268 (≠ PGV 307:309) binding NAD(+)
IT 291:292 (≠ MG 331:332) binding NAD(+)
R294 (≠ T334) mutation to A: 4000-fold decrease in catalytic efficiency.

1y9aA Alcohol dehydrogenase from entamoeba histolotica in complex with cacodylate (see paper)
28% identity, 97% coverage: 1:393/407 of query aligns to 1:356/360 of 1y9aA

query
sites
1y9aA

M

M

K

K

A

G

L

L

R

A

W

M

H

L

G

G

T

I

G

G

D

R

V

I

S

G

V

W

D

I

T

E

V

K

D

K

D

I

P

P

Q

E

I

-

L

C

E

G

P
|
P

T

L

D

D

C

A

I

L

I

V

E

R

T

P

T

L

L

A

T

L

A

A

I

P

C
|
C

G
x
T

S
|
S

D

D

L

T

H
|
H

-

T

L

V

Y

W

D

A

G

G

Y

A

I

I

P

G

T
x
D

M

R

E
x
H

D

D

G

-

D

M

I

I

L

L

G

G

H
|
H

E
|
E

F

A

M

V

G

G

R

Q

V

I

V

V

E

K

V

V

G
|
G

S
|
S

E

L

V

V

Q

K

N

R

L

L

K

K

K

V

G

G

D

D

R

K

V

V

V

I

V

V

P

P

F

-

P

-

I

-

A

-

C

-

G

-

H

-

C

-

H

-

Y

-

C

-

N

-

T

-

D

-

Q

-

Y

-

S

-

L

-

C

A

D

I

N

T

S

P

N
x
D

R

W

N

G

G
x
E

E

E

M

E

Q
x
S

A

Q

E

R

A
x
G

Y
|
Y

G

P

Y
x
M

A

H

A
x
S

A

G

G

G

I

M

F

L

G

G

Y

G

S
x
W

H

K

M

F

L

S

G

N

G

F

F

K

D

D

G

G

G

V

Q

F

A

S

E

E

Y

V

V

F

R

H

V

V

P

N

Y

E

A

A

D

D

V

A

G

N

P

L

M

A

K

L

V

L

P

P

D

R

S

D

L

I

T

K

D

P

E

E

Q

D

V

A

L

V

F

M

L

L

T

S

D
|
D

I

M

Y

V

P

T

T
|
T

G

G

Y

F

Q
x
H

A

G

A

A

V

E

N

L

C

A

D

N

I

I

E

K

E

L

G

G

D

D

T

T

V

V

V

C

V

V

W

I

G

G

S

I

G

G

P

P

V

V

G

G

L

L

F

M

A

S

Q

V

I

A

S

G

A

A

K

N

M

H

L

L

G

G

A

A

-

G

N

R

V

I

I

F

G

A

I

V

D

G

R

S

E

R

P

K

E

H

R

C

L

C

R

D

M

I

A

A

E

L

Q

E

F

Y

A

G

G

A

S

T

A

D

T

I

I

I

N

N

F

Y

E

K

D

N

E

G

D

D

V

I

F

V

E

E

K

Q

L

I

K

L

G

K

L

A

N

T

D

D

G

G

R

K

G

G

P

V

D

D

A

K

C

V

I

V

D

I

A

A

V

G

G

G

L

-

E

D

A

V

H

H

G

T

L

F

G

-

L

-

T

-

G

-

A

-

A

A

Q

Q

K

A

V

V

E

-

Q

K

T

M

L

I

K

K

L

P

Q

G

T

S

D

D

R

I

G

G

T

N

A

-

L

-

I

-

E

-

A

-

I

V

Q

N

S

Y

C

L

G

G

K

E

G

G

G

D

T

N

V

I

S

D

I

I

P

P

G

R

V

S

Y

E

G

W

G

G

V

V

-

G

I

M

N

G

H

H

F

K

N

H

I

I

G

H

A

G

F

L

G

T

K

P

G

G

L

G

T

R

F

V

K

R

M

M

G

-

Q

-

T

-

H

-

V

-

H

-

K

-

Y

-

I

-

K

E

D

K

L

L

L

A

K

S

H

L

I

I

E

S

A

T

G

G

D

K

L

L

D

D

P

T

S

S

Y

K

I

L

I

I

T

T

H

H

K

R

A

F

P

E

-

G

L

L

A

E

K

K

A

V

P

E

E

D

L

A

Y

L

E

M

T

L

F

M

R

K

D

N

K

K

K

P

D

A

D

D

C

L

V

I

K
|
K

V

P

V

V

L

V

D

R

P

I

S

H

W

Y

N

D

D

D

D

E

active site: C37 (= C38), T38 (≠ G39), S39 (= S40), H42 (= H43), H59 (= H60), E60 (= E61), D89 (≠ N108), E92 (≠ G111), S95 (≠ Q114), S103 (≠ A122), D150 (= D169), T154 (= T173), K346 (= K383)
binding acetate ion: P24 (= P25), G69 (= G70), S70 (= S71)
binding cacodylate ion: S39 (= S40), H59 (= H60), W110 (≠ S129), D150 (= D169)
binding 1,2-ethanediol: G98 (≠ A117), Y99 (= Y118), M101 (≠ Y120), H157 (≠ Q176)
binding zinc ion: C37 (= C38), D51 (≠ T51), H53 (≠ E53), H59 (= H60), D150 (= D169)

2ouiA D275p mutant of alcohol dehydrogenase from protozoa entamoeba histolytica (see paper)
28% identity, 97% coverage: 1:393/407 of query aligns to 1:356/360 of 2ouiA

query
sites
2ouiA

M

M

K

K

A

G

L

L

R

A

W

M

H

L

G

G

T

I

G

G

D

R

V

I

S

G

V

W

D

I

T

E

V

K

D

K

D

I

P

P

Q

E

I

-

L

C

E

G

P

P

T

L

D

D

C

A

I

L

I

V

E

R

T

P

T

L

L

A

T

L

A

A

I

P

C
|
C

G
x
T

S
|
S

D

D

L

T

H
|
H

-

T

L

V

Y

W

D

A

G

G

Y

A

I

I

P

G

T

D

M

R

E

H

D

D

G

-

D

M

I

I

L

L

G

G

H
|
H

E
|
E

F

A

M

V

G

G

R

Q

V

I

V

V

E

K

V

V

G

G

S

S

E

L

V

V

Q

K

N

R

L

L

K

K

K

V

G

G

D

D

R

K

V

V

V

I

V

V

P

P

F

-

P

-

I

-

A

-

C

-

G

-

H

-

C

-

H

-

Y

-

C

-

N

-

T

-

D

-

Q

-

Y

-

S

-

L

-

C

A

D

I

N

T

S

P

N
x
D

R

W

N

G

G
x
E

E

E

M

E

Q
x
S

A

Q

E

R

A

G

Y

Y

G

P

Y

M

A

H

A
x
S

A

G

G

G

I

M

F

L

G

G

Y

G

S

W

H

K

M

F

L

S

G

N

G

F

F

K

D

D

G

G

G

V

Q

F

A

S

E

E

Y

V

V

F

R

H

V

V

P

N

Y

E

A

A

D

D

V

A

G

N

P

L

M

A

K

L

V

L

P

P

D

R

S

D

L

I

T

K

D

P

E

E

Q

D

V

A

L

V

F

M

L

L

T

S

D
|
D

I

M

Y

V

P

T

T
|
T

G

G

Y

F

Q

H

A

G

A

A

V

E

N

L

C

A

D

N

I

I

E

K

E

L

G

G

D

D

T

T

V

V

V

C

V

V

W

I

G

G

S

I

G

G

P

P

V

V

G

G

L

L

F

M

A

S

Q

V

I

A

S

G

A

A

K

N

M

H

L

L

G

G

A

A

-

G

N

R

V

I

I

F

G

A

I

V

D

G

R

S

E

R

P

K

E

H

R

C

L

C

R

D

M

I

A

A

E

L

Q

E

F

Y

A

G

G

A

S

T

A

D

T

I

I

I

N

N

F

Y

E

K

D

N

E

G

D

D

V

I

F

V

E

E

K

Q

L

I

K

L

G

K

L

A

N

T

D

D

G

G

R

K

G

G

P

V

D

D

A

K

C

V

I

V

D

I

A

A

V

G

G

G

L

-

E

D

A

V

H

H

G

T

L

F

G

-

L

-

T

-

G

-

A

-

A

A

Q

Q

K

A

V

V

E

-

Q

K

T

M

L

I

K

K

L

P

Q

G

T

S

D

D

R

I

G

G

T

N

A

-

L

-

I

-

E

-

A

-

I

V

Q

N

S

Y

C

L

G

G

K

E

G

G

G

D

T

N

V

I

S

P

I

I

P

P

G

R

V

S

Y

E

G

W

G

G

V

V

-

G

I

M

N

G

H

H

F

K

N

H

I

I

G

H

A

G

F

L

G

T

K

P

G

G

L

G

T

R

F

V

K

R

M

M

G

-

Q

-

T

-

H

-

V

-

H

-

K

-

Y

-

I

-

K

E

D

K

L

L

L

A

K

S

H

L

I

I

E

S

A

T

G

G

D

K

L

L

D

D

P

T

S

S

Y

K

I

L

I

I

T

T

H

H

K

R

A

F

P

E

-

G

L

L

A

E

K

K

A

V

P

E

E

D

L

A

Y

L

E

M

T

L

F

M

R

K

D

N

K

K

K

P

D

A

D

D

C

L

V

I

K
|
K

V

P

V

V

L

V

D

R

P

I

S

H

W

Y

N

D

D

D

D

E

active site: C37 (= C38), T38 (≠ G39), S39 (= S40), H42 (= H43), H59 (= H60), E60 (= E61), D89 (≠ N108), E92 (≠ G111), S95 (≠ Q114), S103 (≠ A122), D150 (= D169), T154 (= T173), K346 (= K383)
binding zinc ion: C37 (= C38), H59 (= H60), D150 (= D169)

2dfvA Hyperthermophilic threonine dehydrogenase from pyrococcus horikoshii (see paper)
29% identity, 89% coverage: 25:386/407 of query aligns to 27:345/346 of 2dfvA

query
sites
2dfvA

P

P

T

G

D

E

C

V

I

L

I

I

E

K

T

V

T

L

L

A

T

T

A

S

I

I

C
|
C

G
|
G

S
x
T

D

D

L

L

H
|
H

L

I

Y

Y

D

E

G

W

-

N

-

E

-

W

Y

A

I

Q

P

S

T

R

M

I

E

K

D

P

G

P

D

Q

I

I

L

M

G

G

H
|
H

E
|
E

F

V

M

A

G

G

R

E

V

V

E

E

V

I

G

G

S

P

E

G

V

V

Q

E

N

G

L

I

K

E

K

V

G

G

D

D

R

Y

V

V

V

S

V

V

P

E

F

T

P

H

I

I

A

V

C
|
C

G

G

H

K

C
|
C

H

Y

Y

A

C
|
C

N

R

T

R

D

G

Q

Q

Y

Y

S

H

L

V

C
|
C

D

Q

N

N

S

T

N
x
K

R

-

N

-

G

-

E

-

M

-

Q

-

A

-

E

-

A

-

Y

-

G

-

Y

-

A

-

G

-

I

I

F

F

G

G

Y

V

S

D

H

T

M

-

L

-

G

-

F

-

D

D

G

G

G

V

Q

F

A

A

E

E

Y

Y

V

A

R

V

V

V

P

P

Y

A

A

Q

D

N

V

I

G

-

P

-

M

W

K

K

V

N

P

P

D

K

S

S

L

I

T

P

D

P

E

E

Q

-

V

-

L

-

F

Y

L

A

T

T

D

L

I

Q

Y

E

P
|
P

T

L

G

G

Y

N

Q
x
A

A

V

-

D

A

T

V

V

N

L

C

A

D

G

I

P

E

I

E

S

G

G

D

K

T

S

V

V

V

L

V

I

W

T

G

G

S

A

G
|
G

P
|
P

V
x
L

G

G

L

L

F

L

A

G

Q

I

I

A

S

V

A

A

K

K

M

A

L

S

G

G

A

A

N

Y

V

P

I

V

G

-

I

I

D

V

R

S

E
|
E

P
|
P

E

S

R

D

L

F

R
|
R

-

R

-

E

M

L

A

A

E

K

Q

K

F

V

A

G

G

A

S

D

A

Y

T

V

I

I

N

N

F

P

E

F

D

E

E

E

D

D

V

V

F

V

E

K

K

E

L

V

K

M

G

D

L

I

N

T

D

D

G

G

R

N

G

G

P

V

D

D

A

V

C

F

I

L

D

E

A

-

V

-

G

-

L

-

E

-

A

-

H

-

G

-

L

-

G

-

L
x
F

T
x
S

G

G

A
|
A

A

P

Q

K

K

A

V

L

E

E

Q

Q

T

G

L

L

K

-

L

-

Q

-

T

-

D

-

R

-

G

-

T

-

A

-

L

-

I

-

E

-

A

-

I

-

Q

Q

S

A

C

V

G

T

K

P

G

A

G

G

T

R

V

V

S

S

I

L

P
x
L

G
|
G

V
x
L

Y

Y

-

P

G

G

G

K

V

V

I

T

N

I

H

D

F

F

N

N

I

N

G

L

A

I

F

F

G

K

K

A

G

L

L

T

T

I

F

Y

K

G

M
x
I

G
x
T

Q

G

T

R

H

H

V

L

H

W

K

E

Y

T

I

W

K

Y

D

T

L

V

L

S

K

R

H

L

I

L

E

Q

A

S

G

G

D

K

L

L

D

N

P

L

S

D

Y

P

I

I

T

T

H

H

K

K

A

Y

P

K

-

G

L

F

A

D

K

K

A

Y

P

E

E

E

L

A

Y

F

E

E

T

L

F

M

R

R

D

A

K

G

K

K

D

T

D

G

C
x
K

V

V

K

V

V

F

V

M

L

L

active site: C40 (= C38), G41 (= G39), T42 (≠ S40), H45 (= H43), H65 (= H60), E66 (= E61), C95 (= C90), C98 (= C93), C101 (= C96), C109 (= C104), K113 (≠ N108), P151 (= P172), A155 (≠ Q176), K340 (≠ C381)
binding nicotinamide-adenine-dinucleotide: G175 (= G195), P176 (= P196), L177 (≠ V197), E197 (= E218), P198 (= P219), R202 (= R223), F241 (≠ L270), S242 (≠ T271), A244 (= A273), L264 (≠ P307), G265 (= G308), L266 (≠ V309), I289 (≠ M331), T290 (≠ G332)
binding zinc ion: C95 (= C90), C101 (= C96), C109 (= C104)

P35630 NADP-dependent isopropanol dehydrogenase; EhADH1; EC 1.1.1.80 from Entamoeba histolytica (strain ATCC 30459 / HM-1:IMSS / ABRM) (see paper)
28% identity, 97% coverage: 1:393/407 of query aligns to 7:362/366 of P35630

query
sites
P35630

M

M

K

K

A

G

L

L

R

A

W

M

H

L

G

G

T

I

G

G

D

R

V

I

S

G

V

W

D

I

T

E

V

K

D

K

D

I

P

P

Q

E

I

-

L

C

E

G

P

P

T

L

D

D

C

A

I

L

I

V

E

R

T

P

T

L

L

A

T

L

A

A

I

P

C
|
C

G

T

S

S

D

D

L

T

H

H

-

T

L

V

Y

W

D

A

G

G

Y

A

I

I

P

G

T

D

M

R

E

H

D

D

G

-

D

M

I

I

L

L

G

G

H
|
H

E
|
E

F

A

M

V

G

G

R

Q

V

I

V

V

E

K

V

V

G

G

S

S

E

L

V

V

Q

K

N

R

L

L

K

K

K

V

G

G

D

D

R

K

V

V

V

I

V

V

P

P

F

-

P

-

I

-

A

-

C

-

G

-

H

-

C

-

H

-

Y

-

C

-

N

-

T

-

D

-

Q

-

Y

-

S

-

L

-

C

A

D

I

N

T

S

P

N

D

R

W

N

G

G

E

E

E

M

E

Q

S

A

Q

E

R

A

G

Y

Y

G

P

Y

M

A

H

A

S

A

G

G

G

I

M

F

L

G

G

Y

G

S

W

H

K

M

F

L

S

G

N

G

F

F

K

D

D

G

G

G

V

Q

F

A

S

E

E

Y

V

V

F

R

H

V

V

P

N

Y

E

A

A

D

D

V

A

G

N

P

L

M

A

K

L

V

L

P

P

D

R

S

D

L

I

T

K

D

P

E

E

Q

D

V

A

L

V

F

M

L

L

T

S

D
|
D

I

M

Y

V

P

T

T

T

G

G

Y

F

Q

H

A

G

A

A

V

E

N

L

C

A

D

N

I

I

E

K

E

L

G

G

D

D

T

T

V

V

V

C

V

V

W

I

G

G

S

I

G

G

P

P

V

V

G

G

L

L

F

M

A

S

Q

V

I

A

S

G

A

A

K

N

M

H

L

L

G

G

A

A

-

G

N

R

V

I

I

F

G

A

I

V

D

G

R

S

E

R

P

K

E

H

R

C

L

C

R

D

M

I

A

A

E

L

Q

E

F

Y

A

G

G

A

S

T

A

D

T

I

I

I

N

N

F

Y

E

K

D

N

E

G

D

D

V

I

F

V

E

E

K

Q

L

I

K

L

G

K

L

A

N

T

D

D

G

G

R

K

G

G

P

V

D

D

A

K

C

V

I

V

D

I

A

A

V

G

G

G

L

-

E

D

A

V

H

H

G

T

L

F

G

-

L

-

T

-

G

-

A

-

A

A

Q

Q

K

A

V

V

E

-

Q

K

T

M

L

I

K

K

L

P

Q

G

T

S

D

D

R

I

G

G

T

N

A

-

L

-

I

-

E

-

A

-

I

V

Q

N

S

Y

C

L

G

G

K

E

G

G

G

D

T

N

V

I

S

D

I

I

P

P

G

R

V

S

Y

E

G

W

G

G

V

V

-

G

I

M

N

G

H

H

F

K

N

H

I

I

G

H

A

G

F

L

G

T

K

P

G

G

L

G

T

R

F

V

K

R

M

M

G

-

Q

-

T

-

H

-

V

-

H

-

K

-

Y

-

I

-

K

E

D

K

L

L

L

A

K

S

H

L

I

I

E

S

A

T

G

G

D

K

L

L

D

D

P

T

S

S

Y

K

I

L

I

I

T

T

H

H

K

R

A

F

P

E

-

G

L

L

A

E

K

K

A

V

P

E

E

D

L

A

Y

L

E

M

T

L

F

M

R

K

D

N

K

K

K

P

D

A

D

D

C

L

V

I

K

K

V

P

V

V

L

V

D

R

P

I

S

H

W

Y

N

D

D

D

D

E

C43 (= C38) binding Zn(2+)
H65 (= H60) binding Zn(2+)
E66 (= E61) binding Zn(2+)
D156 (= D169) binding Zn(2+)

Query Sequence

>WP_095509482.1 NCBI__GCF_002283365.1:WP_095509482.1
MKALRWHGTGDVSVDTVDDPQILEPTDCIIETTLTAICGSDLHLYDGYIPTMEDGDILGH
EFMGRVVEVGSEVQNLKKGDRVVVPFPIACGHCHYCNTDQYSLCDNSNRNGEMQAEAYGY
AAAGIFGYSHMLGGFDGGQAEYVRVPYADVGPMKVPDSLTDEQVLFLTDIYPTGYQAAVN
CDIEEGDTVVVWGSGPVGLFAQISAKMLGANVIGIDREPERLRMAEQFAGSATINFEDED
VFEKLKGLNDGRGPDACIDAVGLEAHGLGLTGAAQKVEQTLKLQTDRGTALIEAIQSCGK
GGTVSIPGVYGGVINHFNIGAAFGKGLTFKMGQTHVHKYIKDLLKHIEAGDLDPSYIITH
KAPLAKAPELYETFRDKKDDCVKVVLDPSWNDDHEVEVRTQKVDAEA

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