SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing Echvi_3219 FitnessBrowser__Cola:Echvi_3219 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)

6n7lC Crystal structure of an alcohol dehydrogenase from elizabethkingia anophelis nuhp1
72% identity, 99% coverage: 1:341/343 of query aligns to 3:342/344 of 6n7lC

query
sites
6n7lC

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active site: C45 (= C43), T47 (= T45), H50 (= H48), H68 (= H66), C154 (= C153)
binding nicotinamide-adenine-dinucleotide: C45 (= C43), H46 (= H44), T47 (= T45), H50 (= H48), C154 (= C153), T158 (= T157), G178 (= G177), G180 (= G179), G181 (= G180), L182 (= L181), D201 (= D200), V202 (= V201), K206 (= K205), T243 (= T242), A244 (= A243), V245 (= V244), S246 (= S245), A249 (= A248), N266 (= N265), G267 (= G266), L268 (= L267), I291 (= I290), V292 (= V291)
binding zinc ion: C45 (= C43), H68 (= H66), C98 (= C97), C101 (= C100), C104 (= C103), C112 (= C111), C154 (= C153)

1lluA The ternary complex of pseudomonas aeruginosa alcohol dehydrogenase with its coenzyme and weak substrate (see paper)
67% identity, 99% coverage: 2:341/343 of query aligns to 2:341/341 of 1lluA

query
sites
1lluA

L

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active site: C43 (= C43), H44 (= H44), T45 (= T45), H48 (= H48), H66 (= H66), E67 (= E67), C97 (= C97), C100 (= C100), C103 (= C103), C111 (= C111), Q115 (≠ V115), C153 (= C153), T157 (= T157), R336 (= R336)
binding 1,2-ethanediol: H44 (= H44), T45 (= T45), L47 (= L47), D53 (= D53), W92 (= W92), C153 (= C153)
binding nicotinamide-adenine-dinucleotide: C43 (= C43), H44 (= H44), T45 (= T45), H48 (= H48), C153 (= C153), T157 (= T157), G179 (= G179), G180 (= G180), L181 (= L181), D200 (= D200), I201 (≠ V201), K205 (= K205), A243 (= A243), V244 (= V244), S245 (= S245), A248 (= A248), V265 (≠ N265), L267 (= L267), I290 (= I290), V291 (= V291), R336 (= R336)
binding zinc ion: C43 (= C43), H66 (= H66), C100 (= C100), C103 (= C103), C111 (= C111), C153 (= C153)

3s2fE Crystal structure of furx nadh:furfural
66% identity, 98% coverage: 6:341/343 of query aligns to 3:338/340 of 3s2fE

query
sites
3s2fE

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active site: C40 (= C43), H41 (= H44), T42 (= T45), H45 (= H48), H63 (= H66), E64 (= E67), C94 (= C97), C97 (= C100), C100 (= C103), C108 (= C111), Q112 (≠ V115), C150 (= C153), T154 (= T157), R333 (= R336)
binding furfural: T42 (= T45), W51 (= W54), H63 (= H66), W89 (= W92), C150 (= C153), I287 (= I290)
binding nicotinamide-adenine-dinucleotide: C40 (= C43), H41 (= H44), T42 (= T45), C150 (= C153), T154 (= T157), G174 (= G177), G176 (= G179), G177 (= G180), L178 (= L181), D197 (= D200), I198 (≠ V201), K202 (= K205), T239 (= T242), A240 (= A243), V241 (= V244), N262 (= N265), G263 (= G266), L264 (= L267), I287 (= I290), V288 (= V291), R333 (= R336)
binding zinc ion: C40 (= C43), H63 (= H66), C94 (= C97), C97 (= C100), C100 (= C103), C108 (= C111), C150 (= C153)

3s2fA Crystal structure of furx nadh:furfural
66% identity, 98% coverage: 6:341/343 of query aligns to 3:338/340 of 3s2fA

query
sites
3s2fA

M

M

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K

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A

C
|
C

G

G

H

Y

C
|
C

E

E

H

H

C
|
C

I

L

T

Q

G

G

W

W

E

E

T

T

L

L

C
|
C

E

E

S

K

Q

Q

V
x
Q

N

N

G

T

G

G

Y

Y

S

S

V

V

D

N

G

G

G

G

Y

Y

A

G

E

E

Y

Y

V

V

L

V

A

A

D

D

P

P

N

N

Y

Y

V

V

G

G

R

L

F

L

S

P

G

D

A

K

I

V

D

G

F

F

V

V

Q

E

M

I

A

A

P

P

I

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

E

V

T

T

E

D

V

T

R

R

P

P

G

G

Q

Q

W

W

V

V

A

V

I

I

S

S

G

G

I

I

G

G

G

G

L

L

G

G

H

H

V

V

A

A

V

V

Q

Q

Y

Y

A

A

K

R

A

A

M

M

G

G

L

L

H

R

V

V

L

A

A

A

V

V

D

D

V

I

S

D

D

D

D

A

K

K

L

L

N

N

L

L

A

A

K

R

K

R

L

L

G

G

A

A

D

E

R

V

V

A

V

V

N

N

G

A

K

R

N

D

P

T

D

D

E

P

V

A

M

A

N

W

A

L

R

Q

K

K

E

E

T

I

G

G

G

G

V

A

H

H

G

G

V

V

L

L

V

V

T

T

A

A

V

V

S

S

P

P

V

K

A

A

F

F

R

S

Q

Q

A

A

L

I

D

G

L

M

L

V

R

R

R

R

K

G

G

G

T

T

L

I

V

A

M

L

N

N

G

G

L

L

P

P

P

P

G

G

S

D

F

F

D

G

L

T

P

P

I

I

F

F

E

D

T

V

V

V

L

L

N

K

R

G

Y

I

T

T

V

I

R

R

G

G

S

S

I
|
I

V

V

G

G

T

T

R

R

K

S

D

D

L

L

Q

Q

E

E

A

S

I

L

D

D

F

F

A

A

M

A

E

H

G

G

K

D

V

V

T

K

T

A

T

T

V

V

K

S

S

T

A

A

P

K

L

L

E

D

D

D

I

V

N

N

L

D

I

V

F

F

D

G

Q

R

M

L

K

R

K

E

G

G

Q

K

I

V

E

E

G

G

R
|
R

M

V

V

V

L

L

D

D

I

F

active site: C40 (= C43), H41 (= H44), T42 (= T45), H45 (= H48), H63 (= H66), E64 (= E67), C94 (= C97), C97 (= C100), C100 (= C103), C108 (= C111), Q112 (≠ V115), C150 (= C153), T154 (= T157), R333 (= R336)
binding phosphorylisopropane: T42 (= T45), H63 (= H66), W89 (= W92), I287 (= I290)
binding zinc ion: C40 (= C43), H63 (= H66), E64 (= E67), C94 (= C97), C97 (= C100), C100 (= C103), C108 (= C111), C150 (= C153)

3s2eE Crystal structure of furx nadh complex 1
66% identity, 98% coverage: 6:341/343 of query aligns to 3:338/340 of 3s2eE

query
sites
3s2eE

M

M

K

K

A

A

A

A

V

V

V

V

T

R

E

A

F

F

G

G

Q

A

P

P

L

L

K

T

I

I

E

D

E

E

I

V

P

P

V

V

K

P

A

Q

P

P

N

G

E

P

N

G

Q

Q

I

V

L

Q

V

V

Q

K

V

I

M

E

A

A

S

S

G

G

V

V

C
|
C

H
|
H

T
|
T

D

D

L

L

H
|
H

A

A

A

A

D

D

G

G

D

D

W

W

P

P

V

V

K

K

P

P

R

T

L

L

P

P

L

F

I

I

P

P

G

G

H
|
H

E
|
E

G

G

I

V

G

G

Y

Y

V

V

A

S

A

A

V

V

G

G

S

S

N

G

V

V

K

S

N

R

T

V

K

K

E

E

G

G

D

D

I

R

V

V

G

G

V

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

I

L

T

Q

G

G

W

W

E

E

T

T

L

L

C
|
C

E

E

S

K

Q

Q

V
x
Q

N

N

G

T

G

G

Y

Y

S

S

V

V

D

N

G

G

G

G

Y

Y

A

G

E

E

Y

Y

V

V

L

V

A

A

D

D

P

P

N

N

Y

Y

V

V

G

G

R

L

F

L

S

P

G

D

A

K

I

V

D

G

F

F

V

V

Q

E

M

I

A

A

P

P

I

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

E

V

T

T

E

D

V

T

R

R

P

P

G

G

Q

Q

W

W

V

V

A

V

I

I

S

S

G

G

I

I

G
|
G

G
|
G

L
|
L

G

G

H

H

V

V

A

A

V

V

Q

Q

Y

Y

A

A

K

R

A

A

M

M

G

G

L

L

H

R

V

V

L

A

A

A

V

V

D
|
D

V
x
I

S

D

D

D

D

A

K
|
K

L

L

N

N

L

L

A

A

K

R

K

R

L

L

G

G

A

A

D

E

R

V

V

A

V

V

N

N

G

A

K

R

N

D

P

T

D

D

E

P

V

A

M

A

N

W

A

L

R

Q

K

K

E

E

T

I

G

G

G

G

V

A

H

H

G

G

V

V

L

L

V

V

T
|
T

A
|
A

V
|
V

S
|
S

P

P

V

K

A
|
A

F

F

R

S

Q

Q

A

A

L

I

D

G

L

M

L

V

R

R

R

R

K

G

G

G

T

T

L

I

V

A

M

L

N
|
N

G
|
G

L
|
L

P

P

P

P

G

G

S

D

F

F

D

G

L

T

P

P

I

I

F

F

E

D

T

V

V

V

L

L

N

K

R

G

Y

I

T

T

V

I

R

R

G

G

S

S

I
|
I

V
|
V

G

G

T

T

R

R

K

S

D

D

L

L

Q

Q

E

E

A

S

I

L

D

D

F

F

A

A

M

A

E

H

G

G

K

D

V

V

T

K

T

A

T

T

V

V

K

S

S

T

A

A

P

K

L

L

E

D

D

D

I

V

N

N

L

D

I

V

F

F

D

G

Q

R

M

L

K

R

K

E

G

G

Q

K

I

V

E

E

G

G

R
|
R

M

V

V

V

L

L

D

D

I

F

active site: C40 (= C43), H41 (= H44), T42 (= T45), H45 (= H48), H63 (= H66), E64 (= E67), C94 (= C97), C97 (= C100), C100 (= C103), C108 (= C111), Q112 (≠ V115), C150 (= C153), T154 (= T157), R333 (= R336)
binding nicotinamide-adenine-dinucleotide: C40 (= C43), H41 (= H44), T42 (= T45), C150 (= C153), T154 (= T157), G176 (= G179), G177 (= G180), L178 (= L181), D197 (= D200), I198 (≠ V201), K202 (= K205), T239 (= T242), A240 (= A243), V241 (= V244), S242 (= S245), A245 (= A248), N262 (= N265), G263 (= G266), L264 (= L267), I287 (= I290), V288 (= V291)
binding zinc ion: C40 (= C43), H63 (= H66), C94 (= C97), C97 (= C100), C100 (= C103), C108 (= C111), C150 (= C153)

3s2eA Crystal structure of furx nadh complex 1
66% identity, 98% coverage: 6:341/343 of query aligns to 3:338/340 of 3s2eA

query
sites
3s2eA

M

M

K

K

A

A

A

A

V

V

V

V

T

R

E

A

F

F

G

G

Q

A

P

P

L

L

K

T

I

I

E

D

E

E

I

V

P

P

V

V

K

P

A

Q

P

P

N

G

E

P

N

G

Q

Q

I

V

L

Q

V

V

Q

K

V

I

M

E

A

A

S

S

G

G

V

V

C
|
C

H
|
H

T
|
T

D

D

L

L

H
|
H

A

A

A

A

D

D

G

G

D

D

W

W

P

P

V

V

K

K

P

P

R

T

L

L

P

P

L

F

I

I

P

P

G

G

H
|
H

E
|
E

G

G

I

V

G

G

Y

Y

V

V

A

S

A

A

V

V

G

G

S

S

N

G

V

V

K

S

N

R

T

V

K

K

E

E

G

G

D

D

I

R

V

V

G

G

V

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

I

L

T

Q

G

G

W

W

E

E

T

T

L

L

C
|
C

E

E

S

K

Q

Q

V
x
Q

N

N

G

T

G

G

Y

Y

S

S

V

V

D

N

G

G

G

G

Y

Y

A

G

E

E

Y

Y

V

V

L

V

A

A

D

D

P

P

N

N

Y

Y

V

V

G

G

R

L

F

L

S

P

G

D

A

K

I

V

D

G

F

F

V

V

Q

E

M

I

A

A

P

P

I

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

E

V

T

T

E

D

V

T

R

R

P

P

G

G

Q

Q

W

W

V

V

A

V

I

I

S

S

G

G

I

I

G

G

G

G

L

L

G

G

H

H

V

V

A

A

V

V

Q

Q

Y

Y

A

A

K

R

A

A

M

M

G

G

L

L

H

R

V

V

L

A

A

A

V

V

D

D

V

I

S

D

D

D

D

A

K

K

L

L

N

N

L

L

A

A

K

R

K

R

L

L

G

G

A

A

D

E

R

V

V

A

V

V

N

N

G

A

K

R

N

D

P

T

D

D

E

P

V

A

M

A

N

W

A

L

R

Q

K

K

E

E

T

I

G

G

G

G

V

A

H

H

G

G

V

V

L

L

V

V

T

T

A

A

V

V

S

S

P

P

V

K

A

A

F

F

R

S

Q

Q

A

A

L

I

D

G

L

M

L

V

R

R

R

R

K

G

G

G

T

T

L

I

V

A

M

L

N

N

G

G

L

L

P

P

P

P

G

G

S

D

F

F

D

G

L

T

P

P

I

I

F

F

E

D

T

V

V

V

L

L

N

K

R

G

Y

I

T

T

V

I

R

R

G

G

S

S

I

I

V

V

G

G

T

T

R

R

K

S

D

D

L

L

Q

Q

E

E

A

S

I

L

D

D

F

F

A

A

M

A

E

H

G

G

K

D

V

V

T

K

T

A

T

T

V

V

K

S

S

T

A

A

P

K

L

L

E

D

D

D

I

V

N

N

L

D

I

V

F

F

D

G

Q

R

M

L

K

R

K

E

G

G

Q

K

I

V

E

E

G

G

R
|
R

M

V

V

V

L

L

D

D

I

F

active site: C40 (= C43), H41 (= H44), T42 (= T45), H45 (= H48), H63 (= H66), E64 (= E67), C94 (= C97), C97 (= C100), C100 (= C103), C108 (= C111), Q112 (≠ V115), C150 (= C153), T154 (= T157), R333 (= R336)
binding zinc ion: C40 (= C43), H63 (= H66), E64 (= E67), C94 (= C97), C97 (= C100), C100 (= C103), C108 (= C111), C150 (= C153)

3meqA Crystal structure of alcohol dehydrogenase from brucella melitensis
66% identity, 99% coverage: 4:341/343 of query aligns to 1:340/341 of 3meqA

query
sites
3meqA

K

K

T

T

M

M

K

K

A

A

A

A

V

V

V

V

T

R

E

A

F

F

G

G

Q

K

P

P

L

L

K

T

I

I

E

D

E

E

I

V

P

P

V

I

K

P

A

Q

P

P

N

G

E

P

N

G

Q

Q

I

I

L

Q

V

V

Q

A

V

I

M

Q

A

A

S

S

G

G

V

V

C
|
C

H
|
H

T
|
T

D

D

L

L

H
|
H

A

A

A

A

D

E

G

G

D

D

W

W

P

P

V

V

K

K

P

P

R

N

L

P

P

P

L

F

I

I

P

P

G

G

H
|
H

E
|
E

G

G

I

V

G

G

Y

F

V

V

A

S

A

A

V

V

G

G

S

S

N

G

V

V

K

K

N

H

T

V

K

K

E

E

G

G

D

D

I

R

V

V

G

G

V

I

P

P

W

W

L

L

Y

Y

S

T

A

A

C
|
C

G

G

H

H

C
|
C

E

R

H

H

C
|
C

I

L

T

G

G

G

W

W

E

E

T

T

L

L

C
|
C

E

E

S

E

Q

Q

V
x
L

N

N

G

T

G

G

Y

Y

S

S

V

V

D

N

G

G

G

G

Y

F

A

A

E

E

Y

Y

V

V

L

V

A

A

D

D

P

P

N

N

Y

F

V

V

G

G

R

H

F

L

S

P

G

K

A

N

I

I

D

D

F

F

V

N

Q

E

M

I

A

A

P

P

I

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

E

V

T

T

E

D

V

T

R

K

P

P

G

G

Q

D

W

W

V

V

A

V

I

I

S

S

G

G

I

I

G
|
G

G
|
G

L
|
L

G

G

H

H

V

M

A

A

V

V

Q

Q

Y

Y

A

A

K

R

A

A

M

M

G

G

L

L

H

N

V

V

L

A

A

A

V

V

D
|
D

V
x
I

S

D

D

D

D

R

K
|
K

L

L

N

D

L

L

A

A

K

R

K

R

L

L

G

G

A

A

D

T

R

V

V

T

V

V

N

N

G

A

K

K

N

T

-

V

P

A

D

D

E

P

V

A

M

A

N

Y

A

I

R

R

K

K

E

E

T

T

-

D

G

G

G

G

V

A

H

Q

G

G

V

V

L

L

V

V

T
|
T

A
|
A

V
|
V

S
|
S

P

P

V

K

A
|
A

F

F

R

E

Q

Q

A

A

L

L

D

G

L

M

L

V

R

A

R

R

K

G

G

G

T

T

L

V

V

S

M

L

N
|
N

G
|
G

L
|
L

P

P

P

P

G

G

S

D

F

F

D

P

L

L

P

S

I

I

F

F

E

N

T

M

V

V

L

L

N

N

R

G

Y

V

T

T

V

V

R

R

G

G

S

S

I
|
I

V
|
V

G

G

T

T

R

R

K

L

D

D

L

L

Q

Q

E

E

A

S

I

L

D

D

F

F

A

A

M

A

E

D

G

G

K

K

V

V

T

K

T

A

T

T

V

I

K

Q

S

T

A

G

P

K

L

L

E

E

D

D

I

I

N

N

L

A

I

I

F

F

D

D

Q

D

M

M

K

R

K

Q

G

G

Q

N

I

I

E

E

G

G

R
|
R

M

I

V

V

L

M

D

D

I

L

active site: C40 (= C43), H41 (= H44), T42 (= T45), H45 (= H48), H63 (= H66), E64 (= E67), C94 (= C97), C97 (= C100), C100 (= C103), C108 (= C111), L112 (≠ V115), C150 (= C153), T154 (= T157), R335 (= R336)
binding 1,4-dihydronicotinamide adenine dinucleotide: C40 (= C43), H41 (= H44), T42 (= T45), H45 (= H48), C150 (= C153), T154 (= T157), G176 (= G179), G177 (= G180), L178 (= L181), D197 (= D200), I198 (≠ V201), K202 (= K205), T241 (= T242), A242 (= A243), V243 (= V244), S244 (= S245), A247 (= A248), N264 (= N265), G265 (= G266), L266 (= L267), I289 (= I290), V290 (= V291)
binding zinc ion: C40 (= C43), H63 (= H66), C94 (= C97), C97 (= C100), C100 (= C103), C108 (= C111), C150 (= C153)

Q8GIX7 Alcohol dehydrogenase; ADH; EC 1.1.1.1 from Moraxella sp. (strain TAE123) (see paper)
65% identity, 98% coverage: 6:340/343 of query aligns to 1:335/338 of Q8GIX7

query
sites
Q8GIX7

M

M

K

K

A

A

A

A

V

V

V

L

T

H

E

E

F

F

G

G

Q

Q

P

S

L

L

K

Q

I

I

E

E

E

E

I

V

P

D

V

I

K

P

A

T

P

P

N

G

E

A

N

G

Q

E

I

I

L

V

V

V

Q

K

V

M

M

Q

A

A

S

S

G

G

V

V

C
|
C

H

H

T

T

D

D

L

L

H

H

A

A

A

V

D

E

G

G

D

D

W

W

P

P

V

V

K

K

P

P

R

S

L

P

P

P

L

F

I

I

P

P

G

G

H
|
H

E
|
E

G

G

I

V

G

G

Y

L

V

I

A

T

A

A

V

V

G

G

S

E

N

G

V

V

K

T

N

H

T

V

K

K

E

E

G

G

D

D

I

R

V

V

G

G

V

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

I

L

T

G

G

G

W

W

E

E

T

T

L

L

C
|
C

E

E

S

S

Q

Q

V

Q

N

N

G

S

G

G

Y

Y

S

S

V

V

D

N

G

G

G

S

Y

F

A

A

E

E

Y

Y

V

V

L

L

A

A

D

N

P

A

N

N

Y

Y

V

V

G

G

R

I

F

I

S

P

G

E

A

S

I

V

D

D

F

S

V

I

Q

E

M

I

A

A

P

P

I

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

E

M

T

T

E

D

V

T

R

K

P

P

G

G

Q

D

W

W

V

V

A

V

I

I

S

S

G

G

I

I

G

G

G

G

L

L

G

G

H

H

V

M

A

A

V

V

Q

Q

Y

Y

A

A

K

I

A

A

M

M

G

G

L

L

H

N

V

V

L

A

A

A

V

V

D

D

V

I

S

D

D

D

D

D

K

K

L

L

N

A

L

F

A

A

K

K

K

K

L

L

G

G

A

A

D

K

R

V

V

T

V

V

N

N

G

A

K

K

N

N

P

T

D

D

E

P

V

A

M

E

N

Y

A

L

R

Q

K

K

E

E

T

I

G

G

G

G

V

A

H

H

G

G

V

A

L

L

V

V

T

T

A

A

V

V

S

S

P

A

V

K

A

A

F

F

R

D

Q

Q

A

A

L

L

D

S

L

M

L

L

R

R

R

R

K

G

G

G

T

T

L

L

V

V

M

C

N

N

G

G

L

L

P

P

P

P

G

G

S

D

F

F

D

P

L

V

P

S

I

I

F

F

E

D

T

T

V

V

L

L

N

N

R

G

Y

I

T

T

V

I

R

R

G

G

S

S

I

I

V

V

G

G

T

T

R

R

K

L

D

D

L

L

Q

Q

E

E

A

S

I

L

D

D

F

M

A

A

M

A

E

A

G

G

K

K

V

V

T

K

T

A

T

T

V

V

K

T

S

A

A

E

P

P

L

L

E

E

D

N

I

I

N

N

L

D

I

I

F

F

D

E

Q

R

M

M

K

R

K

Q

G

G

Q

K

I

I

E

E

G

G

R

R

M

I

V

V

L

I

D

D

C38 (= C43) binding Zn(2+)
H61 (= H66) binding Zn(2+)
E62 (= E67) binding Zn(2+)
C92 (= C97) binding Zn(2+)
C95 (= C100) binding Zn(2+)
C98 (= C103) binding Zn(2+)
C106 (= C111) binding Zn(2+)
C148 (= C153) binding Zn(2+)

4z6kA Alcohol dehydrogenase from the antarctic psychrophile moraxella sp. Tae 123
65% identity, 98% coverage: 6:340/343 of query aligns to 1:335/345 of 4z6kA

query
sites
4z6kA

M

M

K

K

A

A

A

A

V

V

V

L

T

H

E

E

F

F

G

G

Q

Q

P

S

L

L

K

Q

I

I

E

E

E

E

I

V

P

D

V

I

K

P

A

T

P

P

N

G

E

A

N

G

Q

E

I

I

L

V

V

V

Q

K

V

M

M

Q

A

A

S

S

G

G

V

V

C
|
C

H
|
H

T
|
T

D

D

L

L

H
|
H

A

A

A

V

D

E

G

G

D

D

W

W

P

P

V

V

K

K

P

P

R

S

L

P

P

P

L

F

I

I

P

P

G

G

H
|
H

E
|
E

G

G

I

V

G

G

Y

L

V

I

A

T

A

A

V

V

G

G

S

E

N

G

V

V

K

T

N

H

T

V

K

K

E

E

G

G

D

D

I

R

V

V

G

G

V

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

I

L

T

G

G

G

W

W

E

E

T

T

L

L

C
|
C

E

E

S

S

Q

Q

V
x
Q

N

N

G

S

G

G

Y

Y

S

S

V

V

D

N

G

G

G

S

Y

F

A

A

E

E

Y

Y

V

V

L

L

A

A

D

N

P

A

N

N

Y

Y

V

V

G

G

R

I

F

I

S

P

G

E

A

S

I

V

D

D

F

S

V

I

Q

E

M

I

A

A

P

P

I

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

E

M

T

T

E

D

V

T

R

K

P

P

G

G

Q

D

W

W

V

V

A

V

I

I

S

S

G

G

I

I

G

G

G

G

L

L

G

G

H

H

V

M

A

A

V

V

Q

Q

Y

Y

A

A

K

I

A

A

M

M

G

G

L

L

H

N

V

V

L

A

A

A

V

V

D

D

V

I

S

D

D

D

D

D

K

K

L

L

N

A

L

F

A

A

K

K

K

K

L

L

G

G

A

A

D

K

R

V

V

T

V

V

N

N

G

A

K

K

N

N

P

T

D

D

E

P

V

A

M

E

N

Y

A

L

R

Q

K

K

E

E

T

I

G

G

G

G

V

A

H

H

G

G

V

A

L

L

V

V

T

T

A

A

V

V

S

S

P

A

V

K

A

A

F

F

R

D

Q

Q

A

A

L

L

D

S

L

M

L

L

R

R

R

R

K

G

G

G

T

T

L

L

V

V

M

C

N

N

G

G

L

L

P

P

P

P

G

G

S

D

F

F

D

P

L

V

P

S

I

I

F

F

E

D

T

T

V

V

L

L

N

N

R

G

Y

I

T

T

V

I

R

R

G

G

S

S

I

I

V

V

G

G

T

T

R

R

K

L

D

D

L

L

Q

Q

E

E

A

S

I

L

D

D

F

M

A

A

M

A

E

A

G

G

K

K

V

V

T

K

T

A

T

T

V

V

K

T

S

A

A

E

P

P

L

L

E

E

D

N

I

I

N

N

L

D

I

I

F

F

D

E

Q

R

M

M

K

R

K

Q

G

G

Q

K

I

I

E

E

G

G

R
|
R

M

I

V

V

L

I

D

D

active site: C38 (= C43), H39 (= H44), T40 (= T45), H43 (= H48), H61 (= H66), E62 (= E67), C92 (= C97), C95 (= C100), C98 (= C103), C106 (= C111), Q110 (≠ V115), C148 (= C153), T152 (= T157), R331 (= R336)
binding zinc ion: C38 (= C43), H61 (= H66), C92 (= C97), C95 (= C100), C98 (= C103), C106 (= C111), C148 (= C153)

6z42A The low resolution structure of a zinc-dependent alcohol dehydrogenase from halomonas elongata.
66% identity, 99% coverage: 4:341/343 of query aligns to 2:335/336 of 6z42A

query
sites
6z42A

K

S

T

T

M

M

K

K

A

S

A

A

V

V

V

V

T

R

E

T

F

F

G

R

Q

E

P

P

L

L

K

V

I

I

E

E

E

E

I

V

P

P

V

V

K

P

A

R

P

P

N

G

E

P

N

G

Q

E

I

I

L

L

V

V

Q

K

V

V

M

A

A

A

S

S

G

G

V

V

C
|
C

H

H

T
|
T

D

D

L

L

H
|
H

A

A

A

A

D

R

G

G

D

D

W

W

P

P

V

V

K

K

P

P

R

E

L

P

P

P

L

F

I

I

P

P

G

G

H
|
H

E
|
E

G

G

I

V

G

G

Y

H

V

V

A

V

A

A

V

V

G

G

S

R

N

G

V

V

K

Q

N

H

T

V

K

K

E

E

G

G

D

D

I

R

V

V

G

G

V

V

P

P

W

W

L

L

Y

Y

S

S

A

T

C
|
C

G

G

H

H

C
|
C

E

E

H

H

C
|
C

I

L

T

G

G

G

W

W

E

E

T

T

L

L

C
|
C

E

E

S

S

Q

Q

V

Q

N

N

G

T

G

G

Y

Y

S

S

V

V

D

N

G

G

G

-

Y

-

A

-

E

E

Y

Y

V

T

L

L

A

A

D

Q

P

A

N

D

Y

Y

V

V

G

G

R

K

F

L

S

P

G

D

A

N

I

V

D

G

F

F

V

V

Q

E

M

I

A

A

P

P

I

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

E

M

T

T

E

D

V

T

R

R

P

P

G

G

Q

Q

W

W

V

V

A

V

I

I

S

S

G

G

I

I

G

G

G

G

L

L

G

G

H

H

V

M

A

A

V

V

Q

Q

Y

Y

A

A

K

R

A

A

M

M

G

G

L

L

H

N

V

V

L

A

A

A

V

V

D

D

V

V

S

D

D

D

D

A

K

K

L

L

N

A

L

L

A

A

K

E

K

R

L

L

G

G

A

A

D

T

R

I

V

T

V

V

N

N

G

A

K

M

N

Q

P

T

D

D

E

P

V

A

M

R

N

Y

A

L

R

K

K

Q

E

T

T

I

G

G

G

G

V

A

H

H

G

G

V

A

L

L

V

V

T

T

A

A

V

V

S

S

P

P

V

K

A

A

F

F

R

E

Q

Q

A

A

L

L

D

G

L

M

L

I

R

R

R

R

K

G

G

G

T

T

L

V

V

A

M

L

N

N

G

G

L

L

P

P

P

P

G

G

S

D

F

F

D

P

L

L

P

P

I

I

F

F

E

D

T

M

V

V

L

L

N

N

R

G

Y

I

T

T

V

V

R

R

G

G

S

S

I

I

V

V

G

G

T

T

R

R

K

L

D

D

L

L

Q

Q

E

E

A

A

I

L

D

D

F

F

A

A

M

G

E

E

G

G

K

K

V

V

T

Q

T

A

T

T

V

V

K

K

S

T

A

E

P

K

L

L

E

E

D

N

I

I

N

N

L

T

I

V

F

F

D

D

Q

Q

M

M

K

T

K

Q

G

G

Q

H

I

I

E

-

G

G

R

R

M

I

V

V

L

L

D

D

I

L

active site: C41 (= C43), T43 (= T45), H46 (= H48), H64 (= H66), C148 (= C153)
binding zinc ion: C41 (= C43), H64 (= H66), E65 (= E67), C95 (= C97), C98 (= C100), C101 (= C103), C109 (= C111), C148 (= C153)

1rjwA Crystal structure of NAD(+)-dependent alcohol dehydrogenase from bacillus stearothermophilus strain lld-r (see paper)
60% identity, 98% coverage: 6:341/343 of query aligns to 1:336/339 of 1rjwA

query
sites
1rjwA

M

M

K

K

A

A

A

A

V

V

V

V

T

E

E

Q

F

F

G

K

Q

E

P

P

L

L

K

K

I

I

E

K

E

E

I

V

P

E

V

K

K

P

A

T

P

I

N

S

E

Y

N

G

Q

E

I

V

L

L

V

V

Q

R

V

I

M

K

A

A

S

C

G

G

V

V

C
|
C

H
|
H

T
|
T

D

D

L

L

H
|
H

A

A

A

A

D

H

G

G

D

D

W

W

P

P

V

V

K

K

P

P

R

K

L

L

P

P

L

L

I

I

P

P

G

G

H
|
H

E
|
E

G

G

I

V

G

G

Y

I

V

V

A

E

A

E

V

V

G

G

S

P

N

G

V

V

K

T

N

H

T

L

K

K

E

V

G

G

D

D

I

R

V

V

G

G

V

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

I

L

T

S

G

G

W

Q

E

E

T

T

L

L

C
|
C

E

E

S

H

Q

Q

V
x
K

N

N

G

A

G

G

Y

Y

S

S

V

V

D

D

G

G

G

G

Y

Y

A

A

E

E

Y

Y

V

C

L

R

A

A

D

A

P

A

N

D

Y

Y

V

V

G

V

R

K

F

I

S

P

G

D

A

N

I

L

D

S

F

F

V

E

Q

E

M

A

A

A

P

P

I

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

E

V

T

T

E

G

V

A

R

K

P

P

G

G

Q

E

W

W

V

V

A

A

I

I

S

Y

G

G

I

I

G

G

G

G

L

L

G

G

H

H

V

V

A

A

V

V

Q

Q

Y

Y

A

A

K

K

A

A

M

M

G

G

L

L

H

N

V

V

L

V

A

A

V

V

D

D

V

I

S

G

D

D

D

E

K

K

L

L

N

E

L

L

A

A

K

K

K

E

L

L

G

G

A

A

D

D

R

L

V

V

V

V

N

N

G

P

K

L

N

K

P

E

D

D

E

A

V

A

M

K

N

F

A

M

R

K

K

E

E

K

T

V

G

G

G

G

V

V

H

H

G

A

V

A

L

V

V

V

T

T

A

A

V

V

S

S

P

K

V

P

A

A

F

F

R

Q

Q

S

A

A

L

Y

D

N

L

S

L

I

R

R

R

R

K

G

G

G

T

A

L

C

V

V

M

L

N

V

G

G

L

L

P

P

P

P

G

E

S

E

F

M

D

P

L

I

P

P

I

I

F

F

E

D

T

T

V

V

L

L

N

N

R

G

Y

I

T

K

V

I

R

I

G

G

S

S

I
|
I

V

V

G

G

T

T

R

R

K

K

D

D

L

L

Q

Q

E

E

A

A

I

L

D

Q

F

F

A

A

M

A

E

E

G

G

K

K

V

V

T

K

T

T

T

I

V

I

K

E

S

V

A

Q

P

P

L

L

E

E

D

K

I

I

N

N

L

E

I

V

F

F

D

D

Q

R

M

M

K

L

K

K

G

G

Q

Q

I

I

E

N

G

G

R
|
R

M

V

V

V

L

L

D

T

I

L

active site: C38 (= C43), H39 (= H44), T40 (= T45), H43 (= H48), H61 (= H66), E62 (= E67), C92 (= C97), C95 (= C100), C98 (= C103), C106 (= C111), K110 (≠ V115), C148 (= C153), T152 (= T157), R331 (= R336)
binding trifluoroethanol: T40 (= T45), C148 (= C153), I285 (= I290)
binding zinc ion: C38 (= C43), H61 (= H66), C92 (= C97), C95 (= C100), C98 (= C103), C106 (= C111)

P12311 Alcohol dehydrogenase; ADH-T; EC 1.1.1.1 from Geobacillus stearothermophilus (Bacillus stearothermophilus) (see paper)
60% identity, 98% coverage: 6:341/343 of query aligns to 1:336/337 of P12311

query
sites
P12311

M

M

K

K

A

A

A

A

V

V

V

V

T

E

E

Q

F

F

G

K

Q

K

P

P

L

L

K

Q

I

V

E

K

E

E

I

V

P

E

V

K

K

P

A

K

P

I

N

S

E

Y

N

G

Q

E

I

V

L

L

V

V

Q

R

V

I

M

K

A

A

S

C

G

G

V

V

C
|
C

H

H

T
|
T

D

D

L

L

H
|
H

A

A

A

A

D

H

G

G

D

D

W

W

P

P

V

V

K

K

P

P

R

K

L

L

P

P

L

L

I

I

P

P

G

G

H

H

E

E

G

G

I

V

G

G

Y

V

V

I

A

E

A

E

V

V

G

G

S

P

N

G

V

V

K

T

N

H

T

L

K

K

E

V

G

G

D

D

I

R

V

V

G

G

V

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

I

L

T

S

G

G

W

Q

E

E

T

T

L

L

C

C

E

E

S

R

Q

Q

V

Q

N

N

G

A

G

G

Y

Y

S

S

V

V

D

D

G

G

G

G

Y

Y

A

A

E

E

Y

Y

V

C

L

R

A

A

D

A

P

A

N

D

Y

Y

V

V

G

V

R

K

F

I

S

P

G

D

A

N

I

L

D

S

F

F

V

E

Q

E

M

A

A

A

P

P

I

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

E

V

T

T

E

G

V

A

R

K

P

P

G

G

Q

E

W

W

V

V

A

A

I

I

S

Y

G

G

I

I

G

G

G

G

L

L

G

G

H

H

V

V

A

A

V

V

Q

Q

Y

Y

A

A

K

K

A

A

M

M

G

G

L

L

H

N

V

V

L

V

A

A

V

V

D

D

V

L

S

G

D

D

D

E

K

K

L

L

N

E

L

L

A

A

K

K

K

Q

L

L

G

G

A

A

D

D

R

L

V

V

V

V

N

N

G

P

K

K

N

H

P

D

D

D

E

A

V

A

M

Q

N

W

A

I

R

K

K

E

E

K

T

V

G

G

G

G

V

V

H

H

G

A

V

T

L

V

V

V

T

T

A

A

V

V

S

S

P

K

V

A

A

A

F

F

R

E

Q

S

A

A

L

Y

D

K

L

S

L

I

R

R

R

R

K

G

G

G

T

A

L

C

V

V

M

L

N

V

G

G

L

L

P

P

P

P

G

E

S

E

F

I

D

P

L

I

P

P

I

I

F

F

E

D

T

T

V

V

L

L

N

N

R

G

Y

V

T

K

V

I

R

I

G

G

S

S

I

I

V

V

G

G

T

T

R

R

K

K

D

D

L

L

Q

Q

E

E

A

A

I

L

D

Q

F

F

A

A

M

A

E

E

G

G

K

K

V

V

T

K

T

T

T

I

V

V

K

E

S

V

A

Q

P

P

L

L

E

E

D

N

I

I

N

N

L

D

I

V

F

F

D

D

Q

R

M

M

K

L

K

K

G

G

Q

Q

I

I

E

N

G

G

R

R

M

V

V

V

L

L

D

K

I

V

C38 (= C43) mutation to S: No activity.
T40 (= T45) mutation to A: No activity.; mutation to S: Little decrease in activity.
H43 (= H48) mutation to A: No activity.; mutation to R: Higher level of activity at pH 9.

3piiA Crystal structure of mutant of ht- alcohol dehydrogenase with substrate analogue butyramide
60% identity, 98% coverage: 6:341/343 of query aligns to 1:336/337 of 3piiA

query
sites
3piiA

M

M

K

K

A

A

A

A

V

V

V

V

T

E

E

Q

F

F

G

K

Q

E

P

P

L

L

K

K

I

I

E

K

E

E

I

V

P

E

V

K

K

P

A

T

P

I

N

S

E

Y

N

G

Q

E

I

V

L

L

V

V

Q

R

V

I

M

K

A

A

S

C

G

G

V

V

C
|
C

H
|
H

T
|
T

D

D

L

L

H
|
H

A

A

A

A

D

H

G

G

D

D

W

W

P

P

V

V

K

K

P

P

R

K

L

L