SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_017223122.1 NCBI__GCF_000276805.1:WP_017223122.1 to proteins with known functional sites using BLASTp with E ≤ 0.001.

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

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

7bvpA Adhe spirosome in extended conformation (see paper)
76% identity, 98% coverage: 1:865/883 of query aligns to 1:869/869 of 7bvpA

query
sites
7bvpA

M

M

T

A

V

V

K

T

N

N

V

V

E

A

T

E

L

L

N

N

A

A

M

L

V

V

A

E

K

R

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V

K

K

A

K

A

A

Q

Q

Q

R

E

E

F

Y

A

A

T

S

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F

N

T

Q

Q

E

E

Q

Q

V

V

D

D

K

K

I

I

F

F

R

R

A

A

A

A

A

A

L

L

A

A

A

A

S

A

T

D

S

A

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R

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I

P

P

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L

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A

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K

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M

A

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E

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E

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M

G

G

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L

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E

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D

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K

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H

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F

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Y

Y

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A

Y

Y

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D

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T

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C

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E

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D

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T

A

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I

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F

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K

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R

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G

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K

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M

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A

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M

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I

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A

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T

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V

V

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T

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D

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G

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D

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L

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T

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P

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D

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M

A

A

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D

A

A

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L

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M

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A

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A

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G

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F

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N

N

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G

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G

G

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L

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A

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L

L

L

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C

N

N

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V

I

I

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R

Y

Y

N

N

A

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D

D

M

N

P

P

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K

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F

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H

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G

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A

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N

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L

L

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W

W

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T

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G

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D

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F

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D

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L

A

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E

E

D

A

A

F

F

D

D

D

D

Q

Q

C

C

T

T

G

G

A

A

N

N

P

P

R

R

Y

Y

P

P

L

L

I

I

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S

E

E

L

L

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K

A

Q

L

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L

L

L

L

A

D

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T

Y

Y

Y

Y

G

G

H

R

D

D

Y

Y

Q

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E

E

binding nicotinamide-adenine-dinucleotide: P112 (= P112), T113 (= T113), H139 (= H139), G194 (= G194), G195 (= G195), M198 (= M198), V212 (= V212), G213 (= G213), A214 (= A214), C246 (= C246), E335 (= E335), L337 (= L337), H367 (= H367), T418 (= T418), L419 (= L419), D487 (= D485), F489 (= F487), D519 (= D517), S547 (= S545), D550 (= D548), T597 (= T595), T598 (= T596), T601 (= T599), V610 (= V608), K619 (= K617), L646 (= L644), H737 (= H735)
binding zinc ion: D653 (= D651), H657 (= H655), H723 (= H721), H737 (= H735)

6tqmA Escherichia coli adhe structure in its compact conformation (see paper)
76% identity, 98% coverage: 1:865/883 of query aligns to 1:869/869 of 6tqmA

query
sites
6tqmA

M

M

T

A

V

V

K

T

N

N

V

V

E

A

T

E

L

L

N

N

A

A

M

L

V

V

A

E

K

R

V

V

K

K

A

K

A

A

Q

Q

Q

R

E

E

F

Y

A

A

T

S

F

F

N

T

Q

Q

E

E

Q

Q

V

V

D

D

K

K

I

I

F

F

R

R

A

A

A

A

A

A

L

L

A

A

A

A

S

A

T

D

S

A

R

R

I

I

P

P

L

L

A

A

Q

K

M

M

A

A

V

V

E

A

E

E

S

S

G

G

M

M

G

G

V

I

L

V

E

E

D

D

K

K

V

V

T

I

K

K

N

N

H

H

F

F

A

A

S

S

E

E

Y

Y

I

I

Y

Y

N

N

K

A

Y

Y

K

K

D

D

D

E

L

K

T

T

C

C

G

G

I

V

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L

A

S

E

E

D

D

N

D

V

T

F

F

G

G

T

T

I

I

T

T

I

I

A

A

E

E

P

P

V

I

G

G

I

I

I

I

C

C

G

G

I

I

V

V

P

P

T

T

T

T

N

N

P

P

T

T

S

S

T

T

A

A

I

I

F

F

K

K

S

S

L

L

I

I

S

S

L

L

K

K

T

T

R

R

N

N

A

A

I

I

I

I

F

F

S

S

P

P

H

H

P

P

R

R

A

A

K

K

N

D

A

A

T

T

N

N

T

K

A

A

A

A

K

D

I

I

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L

D

Q

A

A

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G

A

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G

W

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I

I

D

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S

V

V

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E

L

L

S

S

N

N

A

A

L

L

M

M

H

H

H

H

N

P

D

D

I

I

N

N

L

L

I

I

L

L

A

A

T

T

G

G

G

G

P

P

G

G

M

M

V

V

K

K

A

A

A

A

Y

Y

S

S

S

S

G

G

K

K

P

P

A

A

I

I

G

G

V

V

G

G

A

A

G

G

N

N

T

T

P

P

I

V

V

V

I

I

D

D

E

E

T

T

A

A

D

D

I

I

K

K

R

R

A

A

V

V

S

A

S

S

I

V

L

L

M

M

S

S

K

K

T

T

F

F

D

D

N

N

G

G

V

V

V

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C

C

A

A

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Q

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V

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H

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G

G

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Y

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A

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D

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K

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V

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Q

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I

V

V

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L

L

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K

N

N

G

G

N

A

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L

N

N

P

A

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I

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V

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K

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D

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Q

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D

A

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A

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R

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Y

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F

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D

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M

M

K

K

T

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A

A

R

R

I

I

L

L

I

I

N

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T

P

P

S

A

S

S

Q

Q

G

G

G

G

I

I

G

G

D

D

L

L

Y

Y

N

N

F

F

G

K

L

L

A

A

P

P

S

S

L

L

T

T

L

L

G

G

C

C

G

G

S

S

W

W

S

G

G

G

N

N

S

S

I

I

S

S

E

E

N

N

V

V

G

G

P

P

K

K

H

H

L

L

M

I

N

N

K

K

K

K

T

T

V

V

A

A

K

K

R

R

A

A

E

E

N

N

M

M

L

L

W

W

H

H

K

K

L

L

P

P

E

K

S

S

I

I

Y

Y

F

F

R

R

R

R

G

G

S

S

L

L

P

P

I

I

A

A

M

L

D

D

D

E

L

V

V

I

-

T

-

D

G

G

K

H

K

K

R

R

A

A

C

L

I

I

V

V

T

T

D
|
D

K

R

F

F

L
|
L

F

F

N

N

N

N

G

G

Y

Y

V

A

D

D

D

Q

L

I

V

T

A

S

I

V

L

L

K

K

E

A

K

A

G

G

I

V

D

E

T

T

E

E

V

V

F

F

Y

F

D

E

V

V

E

E

A

A

D

D

P

P

T

T

L

L

A

S

V

I

V

V

K

R

K

K

G

G

V

A

A

E

V

L

M

A

N

N

S

S

F

F

Q

K

P

P

D

D

V

V

I

I

I

I

A

A

F

L

G

G

G
|
G

G

G

S
|
S

P

P

M

M

D
|
D

A

A

A

A

K

K

I

I

M

M

W

W

V

V

M

M

Y

Y

E

E

H

H

P

P

E

E

A

T

H

H

F

F

E

E

D

E

L

L

A

A

M

L

R

R

F

F

M

M

D

D

I

I

R

R

K

K

R

R

I

I

Y

Y

K

K

F

F

P

P

K

K

M

M

G

G

I

V

K

K

A

A

K

K

L

M

V

I

A

A

I

V

T

T

T
|
T

T

T

S

S

G

G

T

T

G

G

S
|
S

E

E

V

V

T

T

P

P

F
|
F

A

A

V

V

V

V

T

T

D

D

E

D

V

A

T

T

G

G

Q

Q

K

K

Y

Y

P

P

I

L

A

A

D

D

Y

Y

E

A

L

L

T

T

P

P

N

D

M

M

A

A

V

I

I

V

D

D

A

A

N

N

L

L

V

V

M

M

N

D

M

M

P

P

K

K

S

S

L
|
L

T

C

A

A

F

F

G

G

G

G

Y

L

D
|
D

A

A

V

V

T

T

H
|
H

A

A

L

M

E

E

A

A

Y

Y

V

V

S

S

I

V

L

L

A

A

N

S

E

E

Y

F

S

S

D

D

G

G

Q

Q

A

A

L

L

Q

Q

A

A

M

L

K

K

L

L

L

L

K

K

E

E

Y

Y

L

L

P

P

S

A

S

S

Y

Y

K

H

N

E

G

G

A

S

K

K

D

N

P

P

I

V

A

A

R

R

E

E

K

R

V

V

H

H

N

S

G

A

A

A

T

T

I

I

A

A

G

G

I

I

A

A

F

F

A

A

N

N

A

A

F

F

L

L

G

G

V

V

C

C

H
|
H

S

S

M

M

A

A

H
|
H

K

K

I

L

G

G

A

S

E

Q

F

F

H

H

I

I

P

P

H
|
H

G

G

L

L

A

A

N

N

A

A

L

L

L

L

I

I

T

C

N

N

V

V

I

I

R

R

Y

Y

N

N

A

A

T

N

D

D

M

N

P

P

T

T

K

K

Q

Q

A

T

A

A

F

F

S

S

Q

Q

Y

Y

D

D

R

R

P

P

K

Q

A

A

R

R

A

R

R

R

Y

Y

A

A

E

E

V

I

A

A

E

D

H

H

L

L

G

G

F

L

R

S

E

A

-

P

-

G

G

D

K

R

T

T

A

A

D

A

K

K

V

I

N

E

A

K

L

L

L

L

N

A

W

W

L

L

D

E

E

T

L

L

K

K

T

A

D

E

L

L

D

G

I

I

P

P

K

K

S

S

I

I

Q

R

A

E

A

A

G

G

V

V

N

Q

E

E

A

A

D

D

F

F

L

L

A

A

K

N

V

V

D

D

Q

K

L

L

A

S

I

E

E

D

A

A

F

F

D

D

D

D

Q

Q

C

C

T

T

G

G

A

A

N

N

P

P

R

R

Y

Y

P

P

L

L

I

I

S

S

E

E

L

L

K

K

A

Q

L

I

L

L

L

L

A

D

S

T

Y

Y

Y

Y

G

G

H

R

D

D

Y

Y

Q

V

E

E

binding fe (iii) ion: D653 (= D651), H657 (= H655), H723 (= H721), H737 (= H735)
binding [[(2R,3S,4R,5R)-5-[(3R)-3-aminocarbonyl-3,4-dihydro-2H-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate: D487 (= D485), L490 (= L488), G545 (= G543), S547 (= S545), D550 (= D548), T597 (= T595), S603 (= S601), F608 (= F606), L646 (= L644), H727 (= H725)

P0A9Q7 Bifunctional aldehyde-alcohol dehydrogenase AdhE; Alcohol dehydrogenase E; EC 1.2.1.10; EC 1.1.1.1 from Escherichia coli (strain K12) (see 8 papers)
76% identity, 98% coverage: 1:865/883 of query aligns to 1:869/891 of P0A9Q7

query
sites
P0A9Q7

M
|
M

T

A

V

V

K

T

N

N

V

V

E

A

T

E

L

L

N

N

A

A

M

L

V

V

A

E

K

R

V

V

K

K

A

K

A

A

Q

Q

Q

R

E

E

F

Y

A

A

T

S

F

F

N

T

Q

Q

E

E

Q

Q

V

V

D

D

K

K

I

I

F

F

R

R

A

A

A

A

A

A

L

L

A

A

A

A

S

A

T

D

S

A

R

R

I

I

P

P

L

L

A

A

Q

K

M

M

A

A

V

V

E

A

E

E

S

S

G

G

M

M

G

G

V

I

L

V

E

E

D

D

K

K

V

V

T

I

K

K

N

N

H

H

F

F

A

A

S

S

E

E

Y

Y

I

I

Y

Y

N

N

K

A

Y

Y

K

K

D

D

D

E

L

K

T

T

C

C

G

G

I

V

V

L

A

S

E

E

D

D

N

D

V

T

F

F

G

G

T

T

I

I

T

T

I

I

A

A

E

E

P

P

V

I

G

G

I

I

I

I

C

C

G

G

I
|
I

V
|
V

P
|
P

T
|
T

T
|
T

N
|
N

P

P

T

T

S

S

T

T

A

A

I

I

F

F

K

K

S

S

L

L

I

I

S

S

L

L

K

K

T

T

R

R

N

N

A

A

I

I

I

I

F

F

S

S

P

P

H

H

P

P

R

R

A

A

K

K

N

D

A

A

T

T

N

N

T

K

A

A

A

A

K

D

I

I

V

V

L

L

D

Q

A

A

A

A

V

I

A

A

A

A

G

G

A

A

P

P

A

K

N

D

I

L

I

I

G

G

W

W

I

I

D

D

E

Q

P

P

S

S

V

V

E

E

L

L

S

S

N

N

A

A

L

L

M

M

H

H

H

H

N

P

D

D

I

I

N

N

L

L

I

I

L

L

A

A

T

T

G

G

G
|
G

P

P

G

G

M

M

V

V

K

K

A

A

A

A

Y

Y

S

S

S

S

G

G

K

K

P

P

A

A

I

I

G

G

V

V

G
|
G

A

A

G

G

N

N

T

T

P

P

I

V

V

V

I

I

D

D

E

E

T

T

A

A

D

D

I

I

K

K

R

R

A

A

V

V

S

A

S

S

I

V

L

L

M

M

S

S

K

K

T

T

F

F

D

D

N

N

G

G

V

V

V

I

C

C

A

A

S

S

E

E

Q

Q

A

S

V

V

I

V

V

V

V

V

D

D

E

S

V

V

Y

Y

D

D

A

A

V

V

K

R

A

E

R

R

F

F

I
x
A

T

T

H

H

G

G

G

G

Y

Y

I

L

L

L

S

Q

K

G

K

K

D

E

A

L

D

K

K

A

V

V

R

Q

E

D

I

V

V

I

L

L

I

K

N

N

G

G

N

A

M

L

N

N

P

A

A

A

I

I

V

V

G

G

Q

Q

S

P

A

A

I

Y

K

K

I

I

A

A

E

E

M

L

A

A

G

G

I

F

K

S

V

V

P

P

P

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F

N

T

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K

K

V

I

L

L

I

I

G

G

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G

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P

T

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V

V

V

H

D

V

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D

S

D

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A

P

F

F

A

A

H

H

E
|
E

K

K

L

L

S

S

P

P

T

T

L

L

G

A

M

M

F

Y

R

R

A

A

R

K

D

D

Y

F

N

E

H

D

A

A

V

V

E

E

Q

K

A

A

I

E

T
x
K

M

L

V

V

E

A

I

M

G

G

G

G

I

I

G

G

H

H

T

T

S

S

G

C

I

L

Y

Y

T

T

D

D

Q

Q

D

D

A

N

N

Q

E

P

D

A

R

R

I

V

K

S

D

Y

F

F

G

G

D

Q

R

K

M

M

K

K

T

T

A

A

R

R

I

I

L

L

I

I

N

N

Q

T

P

P

S

A

S

S

Q

Q

G

G

G

G

I

I

G

G

D

D

L

L

Y

Y

N

N

F

F

G

K

L

L

A

A

P

P

S

S

L

L

T

T

L
|
L

G

G

C

C

G

G

S

S

W

W

S

G

G

G

N

N

S

S

I

I

S

S

E

E

N

N

V

V

G

G

P

P

K

K

H

H

L

L

M

I

N

N

K

K

K

K

T

T

V

V

A

A

K
|
K

R
|
R

A
|
A

E
|
E

N

N

M

M

L

L

W

W

H

H

K

K

L

L

P

P

E

K

S

S

I

I

Y

Y

F

F

R

R

R

R

G

G

S

S

L

L

P

P

I

I

A

A

M

L

D

D

D

E

L

V

V

I

-

T

-

D

G

G

K

H

K

K

R

R

A

A

C

L

I

I

V

V

T

T

D
|
D

K

R

F

F

L

L

F

F

N

N

N

N

G

G

Y

Y

V

A

D

D

D

Q

L

I

V

T

A

S

I

V

L

L

K

K

E

A

K

A

G

G

I

V

D

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T

T

E

E

V

V

F

F

Y

F

D

E

V

V

E

E

A

A

D
|
D

P

P

T

T

L

L

A

S

V

I

V

V

K

R

K

K

G

G

V

A

A

E

V

L

M

A

N

N

S

S

F

F

Q

K

P

P

D

D

V

V

I

I

I

I

A

A

F

L

G

G

G

G

G
|
G

S
|
S

P
|
P

M
|
M

D
|
D

A

A

A

A

K

K

I

I

M

M

W

W

V

V

M

M

Y

Y

E

E

H

H

P

P

E

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A

T

H

H

F

F

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E

D
x
E

L

L

A

A

M

L

R

R

F

F

M

M

D

D

I

I

R

R

K

K

R

R

I

I

Y

Y

K

K

F

F

P

P

K

K

M

M

G

G

I

V

K

K

A

A

K

K

L

M

V

I

A

A

I

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T

T

T

T

T

T

S

S

G

G

T

T

G

G

S

S

E

E

V

V

T

T

P

P

F

F

A

A

V
|
V

V

V

T

T

D

D

E

D

V

A

T

T

G

G

Q

Q

K
|
K

Y

Y

P

P

I

L

A

A

D

D

Y

Y

E

A

L

L

T

T

P

P

N

D

M

M

A

A

V

I

I

V

D

D

A

A

N

N

L

L

V

V

M

M

N

D

M

M

P

P

K

K

S

S

L

L

T

C

A

A

F

F

G

G

G

G

Y

L

D
|
D

A

A

V

V

T

T

H
|
H

A

A

L

M

E

E

A

A

Y

Y

V

V

S

S

I

V

L

L

A

A

N

S

E

E

Y
x
F

S

S

D

D

G

G

Q

Q

A

A

L

L

Q

Q

A

A

M

L

K

K

L

L

L

L

K

K

E

E

Y

Y

L

L

P

P

S

A

S

S

Y

Y

K

H

N

E

G

G

A

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K

K

D

N

P

P

I

V

A

A

R

R

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E

K

R

V

V

H

H

N

S

G

A

A

A

T

T

I

I

A

A

G

G

I

I

A

A

F

F

A

A

N

N

A

A

F

F

L

L

G

G

V

V

C

C

H
|
H

S

S

M

M

A

A

H

H

K

K

I

L

G

G

A

S

E

Q

F

F

H

H

I

I

P

P

H
|
H

G

G

L

L

A

A

N

N

A

A

L

L

L

L

I

I

T

C

N

N

V

V

I

I

R

R

Y

Y

N

N

A

A

T

N

D

D

M

N

P

P

T

T

K

K

Q

Q

A

T

A

A

F

F

S

S

Q

Q

Y

Y

D

D

R

R

P

P

K

Q

A

A

R

R

A

R

R

R

Y

Y

A

A

E

E

V

I

A

A

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D

H

H

L

L

G

G

F

L

R

S

E

A

-

P

-

G

G

D

K

R

T

T

A

A

D

A

K

K

V

I

N

E

A

K

L

L

L

L

N

A

W

W

L

L

D

E

E

T

L

L

K

K

T

A

D

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L

L

D

G

I

I

P

P

K

K

S

S

I

I

Q

R

A

E

A

A

G

G

V

V

N

Q

E

E

A

A

D

D

F

F

L

L

A

A

K

N

V

V

D

D

Q

K

L

L

A

S

I

E

E

D

A

A

F

F

D

D

D

D

Q

Q

C

C

T

T

G

G

A

A

N

N

P

P

R

R

Y

Y

P

P

L

L

I

I

S

S

E

E

L

L

K

K

A

Q

L

I

L

L

L

L

A

D

S

T

Y

Y

Y

Y

G

G

H

R

D

D

Y

Y

Q

V

E

E

M1 (= M1) modified: Initiator methionine, Removed
IVPTTN 110:115 (= IVPTTN 110:115) binding NAD(+)
G195 (= G195) binding NAD(+)
G213 (= G213) binding NAD(+)
A267 (≠ I267) mutation to T: Shows aerobic growth ability on ethanol. Shows 5-6 fold increase in acetaldehyde dehydrogenase activity, but does not affect ethanol dehydrogenase activity. Shows decreased thermal enzyme stability and increased sensitivity to MCO damage. Shows increased protein stability and resistance to MCO; when associated with K-568.
E335 (= E335) binding NAD(+)
K358 (≠ T358) modified: N6-acetyllysine
L419 (= L419) binding NAD(+)
KRAE 446:449 (= KRAE 446:449) mutation Missing: Can form dimers, but does not assemble into long filaments. Strongly affects ALDH activity, but not ADH activity.
D487 (= D485) binding NAD(+)
D519 (= D517) binding NAD(+)
GSPMD 546:550 (= GSPMD 544:548) binding NAD(+)
E568 (≠ D566) mutation to K: Partially restores protein stability and resistance to MCO damage; when associated with T-267.
V610 (= V608) binding NAD(+)
K619 (= K617) binding NAD(+)
D653 (= D651) binding Fe cation
H657 (= H655) binding Fe cation
F670 (≠ Y668) mutation F->A,E,V: Disrupts spirosome formation. Affects the forward activity of ALDH.
H723 (= H721) binding Fe cation
H737 (= H735) binding Fe cation

P0A9Q8 Bifunctional aldehyde-alcohol dehydrogenase AdhE; Alcohol dehydrogenase E; EC 1.2.1.10; EC 1.1.1.1 from Escherichia coli O157:H7 (see paper)
76% identity, 98% coverage: 1:865/883 of query aligns to 1:869/891 of P0A9Q8

query
sites
P0A9Q8

M

M

T

A

V

V

K

T

N

N

V

V

E

A

T

E

L

L

N

N

A

A

M

L

V

V

A

E

K

R

V

V

K

K

A

K

A

A

Q

Q

Q

R

E

E

F

Y

A

A

T

S

F

F

N

T

Q

Q

E

E

Q

Q

V

V

D

D

K

K

I

I

F

F

R

R

A

A

A

A

A

A

L

L

A

A

A

A

S

A

T

D

S

A

R

R

I

I

P

P

L

L

A

A

Q

K

M

M

A

A

V

V

E

A

E

E

S

S

G

G

M

M

G

G

V

I

L

V

E

E

D

D

K

K

V

V

T

I

K

K

N

N

H

H

F

F

A

A

S

S

E

E

Y

Y

I

I

Y

Y

N

N

K

A

Y

Y

K

K

D

D

D

E

L

K

T

T

C

C

G

G

I

V

V

L

A

S

E

E

D

D

N

D

V

T

F

F

G

G

T

T

I

I

T

T

I

I

A

A

E

E

P

P

V

I

G

G

I

I

I

I

C

C

G

G

I

I

V

V

P

P

T

T

T

T

N

N

P

P

T

T

S

S

T

T

A

A

I

I

F

F

K

K

S

S

L

L

I

I

S

S

L

L

K

K

T

T

R

R

N

N

A

A

I

I

I

I

F

F

S

S

P

P

H

H

P

P

R

R

A

A

K

K

N

D

A

A

T

T

N

N

T

K

A

A

A

A

K

D

I

I

V

V

L

L

D

Q

A

A

A

A

V

I

A

A

A

A

G

G

A

A

P

P

A

K

N

D

I

L

I

I

G

G

W

W

I

I

D

D

E

Q

P

P

S

S

V

V

E

E

L

L

S

S

N

N

A

A

L

L

M

M

H

H

H

H

N

P

D

D

I

I

N

N

L

L

I

I

L

L

A

A

T

T

G

G

G

G

P

P

G

G

M

M

V

V

K

K

A

A

A

A

Y

Y

S

S

S

S

G

G

K

K

P

P

A

A

I

I

G

G

V

V

G

G

A

A

G

G

N

N

T

T

P

P

I

V

V

V

I

I

D

D

E

E

T

T

A

A

D

D

I

I

K

K

R

R

A

A

V

V

S

A

S

S

I

V

L

L

M

M

S

S

K

K

T

T

F

F

D

D

N

N

G

G

V

V

V

I

C

C

A

A

S

S

E

E

Q

Q

A

S

V

V

I

V

V

V

V

V

D

D

E

S

V

V

Y

Y

D

D

A

A

V

V

K

R

A

E

R

R

F

F

I

A

T

T

H

H

G

G

G

G

Y

Y

I

L

L

L

S

Q

K

G

K

K

D

E

A

L

D

K

K

A

V

V

R

Q

E

D

I

V

V

I

L

L

I

K

N

N

G

G

N

A

M

L

N

N

P

A

A

A

I

I

V

V

G

G

Q

Q

S

P

A

A

I

Y

K

K

I

I

A

A

E

E

M

L

A

A

G

G

I

F

K

S

V

V

P

P

P

E

F

N

T

T

K

K

V

I

L

L

I

I

G

G

E

E

G

V

P

T

E

V

V

V

H

D

V

E

D

S

D

E

A

P

F

F

A

A

H

H

E

E

K

K

L

L

S

S

P

P

T

T

L

L

G

A

M

M

F

Y

R

R

A

A

R

K

D

D

Y

F

N

E

H

D

A

A

V

V

E

E

Q

K

A

A

I

E

T

K

M

L

V

V

E

A

I

M

G

G

G

G

I

I

G

G

H

H

T

T

S

S

G

C

I

L

Y

Y

T

T

D

D

Q

Q

D

D

A

N

N

Q

E

P

D

A

R

R

I

V

K

S

D

Y

F

F

G

G

D

Q

R

K

M

M

K

K

T

T

A

A

R

R

I

I

L

L

I

I

N

N

Q

T

P

P

S

A

S

S

Q

Q

G

G

G

G

I

I

G

G

D

D

L

L

Y

Y

N

N

F

F

G

K

L

L

A

A

P

P

S

S

L

L

T

T

L

L

G

G

C

C

G

G

S

S

W

W

S

G

G

G

N

N

S

S

I

I

S

S

E

E

N

N

V

V

G

G

P

P

K

K

H

H

L

L

M

I

N

N

K

K

K

K

T

T

V

V

A

A

K

K

R

R

A

A

E

E

N

N

M

M

L

L

W

W

H

H

K

K

L

L

P

P

E

K

S

S

I

I

Y

Y

F

F

R

R

R

R

G

G

S

S

L

L

P

P

I

I

A

A

M

L

D

D

D

E

L

V

V

I

-

T

-

D

G

G

K

H

K

K

R

R

A

A

C

L

I

I

V

V

T

T

D
|
D

K

R

F

F

L

L

F

F

N

N

N

N

G

G

Y

Y

V

A

D

D

D

Q

L

I

V

T

A

S

I

V

L

L

K

K

E

A

K

A

G

G

I

V

D

E

T

T

E

E

V

V

F

F

Y

F

D

E

V

V

E

E

A

A

D
|
D

P

P

T

T

L

L

A

S

V

I

V

V

K

R

K

K

G

G

V

A

A

E

V

L

M

A

N

N

S

S

F

F

Q

K

P

P

D

D

V

V

I

I

I

I

A

A

F

L

G

G

G

G

G
|
G

S
|
S

P
|
P

M
|
M

D
|
D

A

A

A

A

K

K

I

I

M

M

W

W

V

V

M

M

Y

Y

E

E

H

H

P

P

E

E

A

T

H

H

F

F

E

E

D

E

L

L

A

A

M

L

R

R

F

F

M

M

D

D

I

I

R

R

K

K

R

R

I

I

Y

Y

K

K

F

F

P

P

K

K

M

M

G

G

I

V

K

K

A

A

K

K

L

M

V

I

A

A

I

V

T

T

T
|
T

T
|
T

S

S

G

G

T

T

G

G

S

S

E

E

V

V

T

T

P

P

F

F

A

A

V

V

V

V

T

T

D

D

E

D

V

A

T

T

G

G

Q

Q

K

K

Y

Y

P

P

I

L

A

A

D

D

Y

Y

E

A

L

L

T

T

P

P

N

D

M

M

A

A

V

I

I

V

D

D

A

A

N

N

L
|
L

V

V

M

M

N

D

M

M

P

P

K

K

S

S

L

L

T

C

A

A

F

F

G

G

G

G

Y

L

D
|
D

A

A

V

V

T

T

H
|
H

A

A

L

M

E

E

A

A

Y

Y

V

V

S

S

I

V

L

L

A

A

N

S

E

E

Y

F

S

S

D

D

G

G

Q

Q

A

A

L

L

Q

Q

A

A

M

L

K

K

L

L

L

L

K

K

E

E

Y

Y

L

L

P

P

S

A

S

S

Y

Y

K

H

N

E

G

G

A

S

K

K

D

N

P

P

I

V

A

A

R

R

E

E

K

R

V

V

H

H

N

S

G

A

A

A

T

T

I

I

A

A

G

G

I

I

A

A

F

F

A

A

N

N

A

A

F

F

L

L

G

G

V

V

C

C

H
|
H

S

S

M

M

A

A

H

H

K

K

I

L

G

G

A

S

E

Q

F

F

H

H

I

I

P

P

H
|
H

G

G

L

L

A

A

N

N

A

A

L

L

L

L

I

I

T

C

N

N

V

V

I

I

R

R

Y

Y

N

N

A

A

T

N

D

D

M

N

P

P

T

T

K

K

Q

Q

A

T

A

A

F

F

S

S

Q

Q

Y

Y

D

D

R

R

P

P

K

Q

A

A

R

R

A

R

R

R

Y

Y

A

A

E

E

V

I

A

A

E

D

H

H

L

L

G

G

F

L

R

S

E

A

-

P

-

G

G

D

K

R

T

T

A

A

D

A

K

K

V

I

N

E

A

K

L

L

L

L

N

A

W

W

L

L

D

E

E

T

L

L

K

K

T

A

D

E

L

L

D

G

I

I

P

P

K

K

S

S

I

I

Q

R

A

E

A

A

G

G

V

V

N

Q

E

E

A

A

D

D

F

F

L

L

A

A

K

N

V

V

D

D

Q

K

L

L

A

S

I

E

E

D

A

A

F

F

D

D

D

D

Q

Q

C

C

T

T

G

G

A

A

N

N

P

P

R

R

Y

Y

P

P

L

L

I

I

S

S

E

E

L

L

K

K

A

Q

L

I

L

L

L

L

A

D

S

T

Y

Y

Y

Y

G

G

H

R

D

D

Y

Y

Q

V

E

E

D487 (= D485) binding NAD(+)
D519 (= D517) binding NAD(+)
GSPMD 546:550 (= GSPMD 544:548) binding NAD(+)
TT 597:598 (= TT 595:596) binding NAD(+)
L638 (= L636) binding NAD(+)
D653 (= D651) binding Fe cation
H657 (= H655) binding Fe cation
H723 (= H721) binding Fe cation
H737 (= H735) binding Fe cation

6scgA Structure of adhe form 1 (see paper)
72% identity, 47% coverage: 450:865/883 of query aligns to 1:406/406 of 6scgA

query
sites
6scgA

N

D

M

M

L

L

W

W

H

H

K

K

L

L

P

P

E

K

S

S

I

I

Y

Y

F

F

R

R

R

R

G

G

S

S

L

L

P

P

I

I

A

A

M

L

D

D

D

E

L

V

V

I

-

T

-

D

G

G

K

H

K

K

R

R

A

A

C

L

I

I

V

V

T

T

D
|
D

K

R

F
|
F

L

L

F

F

N

N

N

N

G

G

Y

Y

V

A

D

D

D

Q

L

I

V

T

A

S

I

V

L

L

K

K

E

A

K

A

G

G

I

V

D

E

T

T

E

E

V

V

F

F

Y

F

D

E

V

V

E

E

A
|
A

D
|
D

P

P

T

T

L

L

A

S

V

I

V

V

K

R

K

K

G

G

V

A

A

E

V

L

M

A

N

N

S

S

F

F

Q

K

P

P

D

D

V

V

I

I

I

I

A

A

F

L

G

G

G
|
G

G
|
G

S
|
S

P

P

M

M

D

D

A

A

A

A

K

K

I

I

M

M

W

W

V

V

M

M

Y

Y

E

E

H

H

P

P

E

E

A

T

H

H

F

F

E

E

D

E

L

L

A

A

M

L

R

R

F

F

M

M

D

D

I

I

R

R

K

K

R

R

I

I

Y

Y

K

K

F

F

P

P

K

K

M

M

G

G

I

V

K

K

A

A

K

K

L

M

V

I

A

A

I

V

T

T

T
|
T

T
|
T

S

S

G

G

T
|
T

G

G

S

S

E

E

V

V

T

T

P

P

F

F

A

A

V
|
V

V

V

T

T

D

D

E

D

V

A

T

T

G

G

Q

Q

K

K

Y

Y

P

P

I

L

A

A

D

D

Y

Y

E

A

L

L

T

T

P

P

N

D

M

M

A

A

V

I

I

V

D

D

A

A

N

N

L

L

V

V

M

M

N

D

M

M

P

P

K

K

S

S

L
|
L

T

C

A

A

F

F

G

G

G

G

Y

L

D
|
D

A

A

V

V

T

T

H
|
H

A

A

L

M

E

E

A

A

Y

Y

V

V

S

S

I

V

L

L

A

A

N

S

E

E

Y

F

S

S

D

D

G

G

Q

Q

A

A

L

L

Q

Q

A

A

M

L

K

K

L

L

L

L

K

K

E

E

Y

Y

L

L

P

P

S

A

S

S

Y

Y

K

H

N

E

G

G

A

S

K

K

D

N

P

P

I

V

A

A

R

R

E

E

K

R

V

V

H

H

N

S

G

A

A

A

T

T

I

I

A

A

G

G

I

I

A

A

F

F

A

A

N

N

A

A

F

F

L

L

G

G

V

V

C

C

H
|
H

S

S

M

M

A

A

H
|
H

K

K

I

L

G

G

A

S

E

Q

F

F

H

H

I

I

P

P

H
|
H

G

G

L

L

A

A

N

N

A

A

L

L

L

L

I

I

T

C

N

N

V

V

I

I

R

R

Y

Y

N

N

A

A

T

N

D

-

M

-

P

-

T

-

K

-

Q

-

A

-

A

-

F

-

S

-

Q

-

Y

-

D

-

R

-

P

P

K

Q

A

A

R

R

A

R

R

R

Y

Y

A

A

E

E

V

I

A

A

E

D

H

H

L

L

G

G

F

L

R

S

E

A

-

P

-

G

G

D

K

R

T

T

A

A

D

A

K

K

V

I

N

E

A

K

L

L

L

L

N

A

W

W

L

L

D

E

E

T

L

L

K

K

T

A

D

E

L

L

D

G

I

I

P

P

K

K

S

S

I

I

Q

R

A

E

A

A

G

G

V

V

N

Q

E

E

A

A

D

D

F

F

L

L

A

A

K

N

V

V

D

D

Q

K

L

L

A

S

I

E

E

D

A

A

F

F

D

D

D

D

Q

Q

C

C

T

T

G

G

A

A

N

N

P

P

R

R

Y

Y

P

P

L

L

I

I

S

S

E

E

L

L

K

K

A

Q

L

I

L

L

L

L

A

D

S

T

Y

Y

Y

Y

G

G

H

R

D

D

Y

Y

Q

V

E

E

binding fe (iii) ion: D204 (= D651), H208 (= H655), H274 (= H721), H288 (= H735)
binding nicotinamide-adenine-dinucleotide: D38 (= D485), F40 (= F487), A69 (= A516), D70 (= D517), G96 (= G543), G97 (= G544), S98 (= S545), T148 (= T595), T149 (= T596), T152 (= T599), V161 (= V608), L197 (= L644), H278 (= H725)

3zdrA Structure of the alcohol dehydrogenase (adh) domain of a bifunctional adhe dehydrogenase from geobacillus thermoglucosidasius ncimb 11955 (see paper)
53% identity, 47% coverage: 450:860/883 of query aligns to 1:402/403 of 3zdrA

query
sites
3zdrA

N

N

M

M

L

Q

W

W

H

F

K

K

L

V

P

P

E

P

S

K

I

I

Y

Y

F

F

R

E

R

K

G

N

S

A

L

V

P

Q

I

Y

-

L

-

A

A

K

M

M

D

P

D

D

L

I

V

-

G

-

K

-

K

S

R

R

A

A

C

F

I

I

V

V

T

T

D

D

K

P

F

G

L

M

F

V

N

K

N

L

G

G

Y

Y

V

V

D

D

D

K

L

V

V

L

A

Y

I

Y

L

L

K

R

E

R

K

R

G

P

-

D

-

Y

I

V

D

H

T

S

E

E

V

I

F

F

Y

S

D

E

V

V

E

E

A

P

D

D

P

P

T

S

L

I

A

E

V

T

V

V

K

M

K

K

G

G

V

V

A

D

V

M

M

M

N

R

S

S

F

F

Q

E

P

P

D

D

V

V

I

I

I

I

A

A

F

L

G

G

G

G

G

G

S

S

P

P

M

M

D

D

A

A

A

A

K

K

I

A

M

M

W

W

V

L

M

F

Y

Y

E

E

H

H

P

P

E

T

A

A

H

D

F

F

E

N

D

A

L

L

A

K

M

Q

R

K

F

F

M

L

D

D

I

I

R

R

K

K

R

R

I

V

Y

Y

K

K

F

Y

P

P

K

K

M

L

G

G

I

Q

K

K

A

A

K

K

L

F

V

V

A

A

I

I

T

P

T

T

T

T

S

S

G

G

T

T

G

G

S

S

E

E

V

V

T

T

P

S

F

F

A

A

V

V

V

I

T

T

D

D

E

K

V

K

T

T

G

N

Q

I

K

K

Y

Y

P

P

I

L

A

A

D

D

Y

Y

E

E

L

L

T

T

P

P

N

D

M

V

A

A

V

I

I

V

D

D

A

P

N

Q

L

F

V

V

M

M

N

T

M

V

P

P

K

K

S

H

L

V

T

T

A

A

F

D

G

T

G

G

Y

M

D
|
D

A

V

V

L

T

T

H
|
H

A

A

L

I

E

E

A

A

Y

Y

V

V

S

S

I

N

L

M

A

A

N

N

E

D

Y

Y

S

T

D

D

G

G

Q

L

A

A

L

M

Q

K

A

A

M

I

K

Q

L

L

L

V

K

F

E

E

Y

Y

L

L

P

P

S

R

S

A

Y

Y

K

Q

N

N

G

G

A

A

K

-

D

D

P

E

I

L

A

A

R

R

E

E

K

K

V

M

H

H

N

N

G

A

A

S

T

T

I

I

A

A

G

G

I

M

A

A

F

F

A

A

N

N

A

A

F

F

L

L

G

G

V

I

C

N

H
|
H

S

S

M

L

A

A

H

H

K

K

I

L

G

G

A

A

E

E

F

F

H

H

I

I

P

P

H
|
H

G

G

L

R

A

A

N

N

A

T

L

I

L

L

I

M

T

P

N

H

V

V

I

I

R

R

Y

Y

N

N

A

A

T

A

D

K

M

-

P

P

T

K

K

K

Q

Y

A

F

A

-

F

-

S

-

Q

-

Y

-

D

-

R

-

P

-

K

K

A

A

R

D

A

Q

R

R

Y

Y

A

A

E

E

V

I

A

A

E

R

H

M

L

L

G

G

F

L

R

P

E

A

G

R

K

T

T

T

A

E

D

E

K

G

V

V

N

E

A

S

L

L

L

V

N

Q

W

A

L

I

D

I

E

K

L

L

K

A

T

K

D

Q

L

L

D

D

I

M

P

P

K

L

S

S

I

I

Q

E

A

A

A

C

G

G

V

V

N

S

E

K

A

Q

D

E

F

F

L

E

A

S

K

K

V

V

D

E

Q

K

L

L

A

A

I

E

E

L

A

A

F

F

D

E

D

D

Q

Q

C

C

T

T

G

T

A

A

N

N

P

P

R

K

Y

L

P

P

L

L

I

V

S

S

E

D

L

L

K

V

A

H

L

I

L

Y

L

R

A

Q

S

A

Y

F

Y

K

G

G

binding zinc ion: D203 (= D651), H207 (= H655), H272 (= H721), H286 (= H735)

5j7iB Crystal structure of a geobacillus thermoglucosidasius acetylating aldehyde dehydrogenase in complex with adp (see paper)
45% identity, 50% coverage: 3:445/883 of query aligns to 9:446/456 of 5j7iB

query
sites
5j7iB

V

L

K

Q

N

S

V

I

E

Q

T

E

L

V

N

R

A

N

M

Y

V

L

A

E

K

E

V

A

K

K

A

A

A

A

Q

Q

Q

K

E

I

F

L

A

E

T

K

F

M

N

T

Q

Q

E

S

Q

E

V

I

D

D

K

K

I

I

F

V

R

E

A

S

A

M

A

A

L

N

A

A

A

A

S

R

T

E

S

E

R

A

I

G

P

R

L

L

A

A

Q

A

M

M

A

A

V

V

E

E

E

E

S

T

G

G

M

F

G

G

V

N

L

V

E

E

D

D

K

K

V

T

T

L

K

K

N

N

H

L

F

F

A

A

S

A

E

N

Y

D

I

V

Y

Y

N

N

K

S

Y

I

K

K

D

D

D

V

L

K

T

T

C

V

G

G

I

I

V

I

A

R

E

R

D

D

N

E

V

E

F

N

G

R

T

V

I

W

T

E

I

I

A

A

E

Q

P

P

V

V

G

G

I

I

I

V

C

A

G

G

I

I

V

I

P

P

T

S

T

T

N

N

P

P

T

T

S

S

T

T

A

V

I

I

F

F

K

K

S

A

L

L

I

I

S

A

L

V

K

K

T

A

R

R

N

N

A

A

I

I

I

V

F

F

S

S

P

P

H

H

P

P

R

S

A

A

K

A

N

K

A

C

T

T

N

A

T

E

A

A

A

A

K

R

I

I

V

M

L

Q

D

E

A

A

A

A

V

E

A

R

A

A

G

G

A

A

P

P

A

K

N

G

I

L

I

I

G

S

W

C

I

I

D

T

E

Q

P

P

S

T

V

M

E

A

L

A

S

T

N

N

A

E

L

L

M

M

H

K

H

H

N

K

D

L

I

T

N

D

L

V

I

I

L

L

A

A

T

T

G

G

G

G

P

P

G

G

M
x
L

V

V

K

K

A

A

A

A

Y

Y

S

S

S

S

G

G

K

K

P

P

A

A

I

Y

G

G

V

V

G

G

A

P

G

G

N

N

T

V

P

P

I

V

V

Y

I

I

D

H

E

E

T

S

A

A

D

N

I

I

K

A

R

K

A

A

V

V

S

Q

S

L

I

I

L

I

M

Q

S

S

K

K

T

T

F

F

D

D

N

Y

G

G

V

T

V

I

C

C

A

A

S

S

E

E

Q

Q

A

A

V

L

I

L

V

V

V

D

D

E

E

S

V

I

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