SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_010440535.1 NCBI__GCF_000192475.1:WP_010440535.1 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)

7uyyA The crystal structure of the pseudomonas aeruginosa aldehyde dehydrogenase encoded by the pa4189 gene in complex with nadh (see paper)
65% identity, 98% coverage: 3:488/498 of query aligns to 4:494/496 of 7uyyA

query
sites
7uyyA

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binding 1,4-dihydronicotinamide adenine dinucleotide: V165 (= V164), L166 (= L165), P167 (= P166), W168 (= W167), K192 (= K191), G225 (= G224), G229 (= G228), F243 (= F242), G245 (= G244), S246 (= S245), T249 (= T248), L252 (≠ K251), F253 (= F252), Y256 (= Y255), C269 (≠ M268), G270 (= G269), C303 (= C302), H350 (= H349), K353 (= K352), F400 (= F394)

5iuwA Crystal structure of indole-3-acetaldehyde dehydrogenase in complexed with NAD+ and iaa (see paper)
47% identity, 98% coverage: 4:489/498 of query aligns to 2:495/495 of 5iuwA

query
sites
5iuwA

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active site: N166 (= N168), K189 (= K191), E265 (= E267), C300 (= C302), E399 (= E392), D476 (= D470)
binding 1h-indol-3-ylacetic acid: F167 (= F169), M170 (≠ L172), C300 (= C302), D457 (≠ G450), F465 (= F458)
binding nicotinamide-adenine-dinucleotide: I162 (≠ V164), V163 (≠ L165), P164 (= P166), W165 (= W167), N166 (= N168), K189 (= K191), G222 (= G224), G226 (= G228), K227 (≠ E229), F240 (= F242), T241 (= T243), G242 (= G244), S243 (= S245), I246 (≠ T248), Y253 (= Y255), E265 (= E267), A266 (≠ M268), C300 (= C302), E399 (= E392), F401 (= F394)

5iuvA Crystal structure of indole-3-acetaldehyde dehydrogenase in complexed with NAD+ (see paper)
47% identity, 98% coverage: 4:489/498 of query aligns to 2:495/495 of 5iuvA

query
sites
5iuvA

L

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V

D

D

M

T

V

V

S

V

F
|
F

T
|
T

G
|
G

S
|
S

T

T

V

K

T
x
I

G

A

K

K

K

Q

F

L

L

M

S

I

Y
|
Y

S

A

A

G

E

E

S

S

N

N

A

M

K

K

E

R

V

V

V

W

L

L

E
|
E

M
x
A

G

G

G

G

K

K

N

S

P

P

A

N

I

I

V

V

M

F

D

A

D

D

A

A

E

P

N

D

L

L

D

Q

R

A

V

A

A

A

A

D

H

S

V

A

V

A

N

S

G

A

A

I

F

A

W

F

N

N

M

Q

G

G

E

E

N

V

C
|
C

S

T

A

A

S

G

S

S

R

R

L

L

I

L

V

V

H

E

K

R

D

S

V

I

K

K

A

D

E

R

L

F

L

L

E

P

R

M

I

V

A

I

H

E

H

A

A

L

K

G

H

T

W

W

N

K

V

P

G

G

E

N

P

P

L

L

D

D

P

P

E

A

T

T

R

N

M

V

G

G

A

A

L

L

V

V

S

D

E

T

G

Q

H

Q

Y

M

N

N

K

T

V

V

C

L

G

S

Y

Y

L

I

E

A

Q

A

A

G

E

H

N

T

-

D

-

G

-

A

-

R

V

L

L

V

I

A

G

G

G

G

K

K

-

Q

-

I

-

L

A

Q

E

E

K

T

G

G

-

G

-

T

F

Y

V

V

E

E

A

P

T

T

V

I

V

F

E

D

V

G

P

V

G

N

N

N

D

A

A

M

T

R

L

I

A

A

R

Q

E

E

E
|
E

I

I

F
|
F

G

G

P

P

V

V

L

L

S

S

V

V

I

L

E

T

V

F

S

D

G

T

F

A

D

E

E

E

A

A

I

I

S

Q

I

I

A

A

N

N

D

D

T

T

E

P

Y

Y

G

G

L

L

C

A

A

A

S

A

I

V

F

W

M

T

A

A

N

N

A

L

K

S

R

K

A

A

I

H

R

L

G

T

A

A

R

R

A

A

I

L

R

R

A

A

G

G

T

S

V

V

T

W

V

V

N

N

S

Q

F

Y

G

D

E

G

G

G

D

D

I

M

T

T

T

A

P

P

F

F

G

G

G

G

Y

F

K

K

Q

Q

S

S

G

G

F

-

G

N

G

G

R

R

D
|
D

N

K

S

S

V

L

H

H

A

A

H

F

D

D

Q

K

Y

Y

T

T

Q

E

L

L

K

K

T

S

I

T

W

W

I

I

D

K

L

L

active site: N166 (= N168), K189 (= K191), E265 (= E267), C300 (= C302), E399 (= E392), D476 (= D470)
binding nicotinamide-adenine-dinucleotide: I162 (≠ V164), V163 (≠ L165), P164 (= P166), W165 (= W167), N166 (= N168), K189 (= K191), S191 (≠ A193), G222 (= G224), G226 (= G228), K227 (≠ E229), F240 (= F242), T241 (= T243), G242 (= G244), S243 (= S245), I246 (≠ T248), Y253 (= Y255), E265 (= E267), A266 (≠ M268), C300 (= C302), E399 (= E392), F401 (= F394)

7jsoA P. Syringae alda indole-3-acetaldehyde dehydrogenase c302a mutant in complex with NAD+ and iaa (see paper)
46% identity, 98% coverage: 4:489/498 of query aligns to 2:495/495 of 7jsoA

query
sites
7jsoA

L

L

T

T

K

R

D

A

E

D

Y

W

E

E

S

Q

I

R

A

A

A

Q

H

N

Q

L

D

K

L

I

P

E

T

G

G

R

A

A

F

F

I

I

D

Q

G

G

G

E

Y

Y

R

T

P

A

A

A

I

A

S

S

G

G

Q

E

V

T

F

F

E

D

T

C

V

I

N

S

P

P

A

V

T

D

G

G

A

R

L

L

L

L

T

A

S

K

I

V

A

A

A

S

C

C

G

D

V

A

E

A

D

D

V

A

D

Q

F

R

A

A

V

V

E

E

K

S

A

A

R

R

E

S

A

A

F

F

D

D

D

S

G

G

R

A

W

W

S

S

K

R

M

L

H

A

P

P

S

A

D

K

R

R

K

K

D

A

V

T

L

M

I

I

R

R

L

F

C

A

K

G

L

L

I

L

T

E

R

Q

N

N

A

A

R

E

E

E

L

L

A

A

V

L

M

L

E

E

S

T

I

L

D

D

S

M

G

G

K

K

T

P

I

I

Y

S

D

D

C

S

E

L

T

G

V

V

D

D

V

I

P

P

E

G

T

G

I

A

H

R

C

A

L

L

K

S

W

W

H

S

A

G

E

E

A

A

I

I

D

D

K

K

I

L

Y

Y

D

D

Q

E

V

V

S

A

P

A

A

T

S

P

D

H

D

D

H

Q

I

L

A

G

M

L

V

V

V

T

R

R

E

E

P

P

I

V

G

G

V

V

V

V

G

A

L

A

V
x
I

L
x
V

P
|
P

W
|
W

N
|
N

F
|
F

P

P

L

L

L

M

M

M

L

A

A

C

W
|
W

K

K

I

L

G

G

P

P

A

A

L

L

A

S

A

T

G

G

C

N

S

S

V

V

V

V

V

L

K
|
K

P

P

A

S

T
x
E

E

K

T

S

S

P

L

L

T

T

A

A

L

I

K

R

V

I

A

A

E

Q

L

L

A

A

S

I

E

E

A

A

G

G

L

I

P

P

R

A

G

G

V

V

L

L

N

N

V

V

V

L

P

P

G

G

G

Y

G
|
G

A

H

E

T

V

V

G
|
G

E
x
K

P

A

I

L

G

A

R

L

H

H

M

M

D

D

I

V

D

D

M

T

V

V

S

V

F
|
F

T

T

G
|
G

S
|
S

T

T

V

K

T
x
I

G

A

K

K

K

Q

F

L

L

M

S

I

Y

Y

S

A

A

G

E

E

S

S

N

N

A

M

K

K

E

R

V

V

V

W

L

L

E
|
E

M
x
A

G
|
G

G

G

K

K

N

S

P

P

A

N

I

I

V

V

M

F

D

A

D

D

A

A

E

P

N

D

L

L

D

Q

R

A

V

A

A

A

A

D

H

S

V

A

V

A

N

S

G

A

A

I

F

A

W

F

N

N

M

Q

G

G

E

E

N
x
V

C
x
A

S
x
T

A

A

S

G

S

S

R

R

L

L

I

L

V

V

H

E

K

R

D

S

V

I

K

K

A

D

E

R

L

F

L

L

E

P

R

M

I

V

A

I

H

E

H

A

A

L

K

G

H

T

W

W

N

K

V

P

G

G

E

N

P

P

L

L

D

D

P

P

E

A

T

T

R

N

M

V

G

G

A

A

L

L

V

V

S

D

E

T

G

Q

H

Q

Y

M

N

N

K

T

V

V

C

L

G

S

Y

Y

L

I

E

A

Q

A

A

G

E

H

N

T

-

D

-

G

-

A

-

R

V

L

L

V

I

A

G

G

G

G

K

K

-

Q

-

I

-

L

A

Q

E

E

K

T

G

G

-

G

-

T

F

Y

V

V

E

E

A

P

T

T

V

I

V

F

E

D

V

G

P

V

G

N

N

N

D

A

A

M

T

R

L

I

A

A

R

Q

E

E

E
|
E

I

I

F
|
F

G

G

P

P

V

V

L

L

S

S

V

V

I

L

E

T

V

F

S

D

G

T

F

A

D

E

E

E

A

A

I

I

S

Q

I

I

A

A

N

N

D

D

T

T

E

P

Y

Y

G

G

L

L

C

A

A

A

S

A

I

V

F

W

M

T

A

A

N

N

A

L

K

S

R

K

A

A

I

H

R

L

G

T

A

A

R

R

A

A

I

L

R

R

A

A

G

G

T

S

V

V

T

W

V

V

N

N

S

Q

F

Y

G
x
D

E

G

G

G

D

D

I

M

T

T

T

A

P

P

F
|
F

G

G

G

G

Y

F

K

K

Q

Q

S

S

G

G

F

-

G

N

G

G

R

R

D
|
D

N

K

S

S

V

L

H

H

A

A

H

F

D

D

Q

K

Y

Y

T

T

Q

E

L

L

K

K

T

S

I

T

W

W

I

I

D

K

L

L

active site: N166 (= N168), E265 (= E267), A300 (≠ C302), D476 (= D470)
binding 1h-indol-3-ylacetic acid: F167 (= F169), W174 (= W176), V299 (≠ N301), A300 (≠ C302), T301 (≠ S303), D457 (≠ G450), F465 (= F458)
binding 1,4-dihydronicotinamide adenine dinucleotide: I162 (≠ V164), V163 (≠ L165), P164 (= P166), W165 (= W167), K189 (= K191), E192 (≠ T194), G222 (= G224), G226 (= G228), K227 (≠ E229), F240 (= F242), G242 (= G244), S243 (= S245), I246 (≠ T248), A266 (≠ M268), G267 (= G269), A300 (≠ C302), E399 (= E392), F401 (= F394)

4pz2B Structure of zm aldh2-6 (rf2f) in complex with NAD (see paper)
43% identity, 94% coverage: 20:485/498 of query aligns to 11:484/494 of 4pz2B

query
sites
4pz2B

T

T

G

K

A

L

F

F

I

I

D

N

G

G

G

S

Y

F

R

V

P

D

A

A

I

V

S

S

G

G

Q

R

V

T

F

F

E

D

T

T

V

R

N

D

P

P

A

R

T

T

G

G

A

G

L

V

L

I

T

A

S

S

I

V

A

A

A

E

C

A

G

D

V

K

E

E

D

D

V

V

D

D

F

L

A

A

V

V

E

R

K

A

A

A

R

R

E

A

A

A

F

F

D

D

D

H

G

G

R

E

W

W

S

P

K

R

M

M

H

S

P

G

S

S

D

E

R

R

K

G

D

R

V

I

L

M

I

A

R

R

L

L

C

A

K

D

L

L

I

V

T

E

R

E

N

H

A

A

R

G

E

E

L

L

A

A

V

A

M

L

E

E

S

S

I

L

D

D

S

A

G

G

K

K

T

H

I

P

Y

A

D

V

C

T

E

R

T

A

V

V

D

D

V

V

P

G

E

N

T

A

I

A

H

G

C

S

L

L

K

R

W

Y

H

F

A

A

E

G

A

A

I

A

D

D

K

K

I

I

Y

H

D

G

Q

E

V

T

S

L

P

K

A

M

S

P

D

G

D

Q

H

F

I

Q

A

G

M

H

V

T

V

L

R

R

E

E

P

P

I

L

G

G

V

V

V

A

G

G

L

V

V
x
I

L
x
I

P
|
P

W
|
W

N
|
N

F

F

P

P

L

S

L

T

M
|
M

L

F

A

A

W

V

K

K

I

V

G

A

P

P

A

A

L

L

A

A

A

A

G

G

C

C

S

A

V

L

V

V

V

V

K
|
K

P

P

A
|
A

T
x
E

E

Q

T

T

S

P

L

L

T

S

A

A

L

L

K

Y

V

L

A

A

E

Q

L

L

A

A

S

K

E

Q

A

A

G

G

L

V

P

P

R

D

G

G

V

V

L

I

N

N

V

V

V

V

P

P

G

G

G

F

G
|
G

A

P

E

T

V

A

G
|
G

E

A

P

A

I

L

G

A

R

S

H

H

M

M

D

D

I

V

D

D

M

M

V

V

S

S

F
|
F

T
|
T

G
|
G

S
|
S

T

T

V

E

T
x
V

G

G

K

R

K

L

F

I

L

M

S

K

Y

A

S

S

A

A

E

E

S

S

N

N

A

L

K

K

E

P

V

V

V

Y

L

L

E
|
E

M
x
L

G

G

G

G

K

K

N

S

P

P

A

L

I

I

V

V

M

F

D

D

D

D

A

A

E

-

N

D

L

L

D

D

R

M

V

A

A

V

A

E

H

L

V

A

V

V

N

G

G

A

A

S

F

F

W

F

N

N

M

K

G

G

E

E

N

A

C
|
C

S

V

A

A

S

A

S

S

R

R

L

V

I

Y

V

V

H

Q

K

E

D

R

V

V

K

Y

A

D

E

R

L

F

L

E

E

E

R

R

I

L

A

A

H

E

H

R

A

M

K

R

H

S

W

W

N

V

V

V

G

G

E

D

P

P

L

F

-

S

D

D

P

P

E

R

T

A

R

D

M

Q

G

G

A

P

L

Q

V

V

S

D

E

K

G

A

H

Q

Y

Y

N

E

K

R

V

V

C

L

G

S

Y

Y

L

I

E

D

Q

H

A

G

E

K

-

R

-

E

-

G

-

A

N

T

V

L

L

L

I

T

G

G

G

G

K

R

-

P

-

C

A

A

E

P

K

E

G

G

-

K

-

G

-

Y

F

Y

V

I

E

E

A

P

T

T

V

V

V

F

E

T

V

N

P

V

G

K

N

E

D

D

A

M

T

I

L

I

A

A

R

K

E

E

E
|
E

I

I

F
|
F

G

G

P

P

V

V

L

M

S

C

V

L

I

M

E

K

V

F

S

K

G

T

F

V

D

E

E

E

A

A

I

I

S

A

I

R

A

A

N

N

D

D

T

T

E

R

Y

Y

G

G

L

L

C

G

A

A

S

G

I

V

F

V

M

T

A

R

N

D

A

L

K

D

R

V

A

A

I

N

R

R

G

V

A

V

R

R

A

S

I

V

R

R

A

A

G

G

T

V

V

V

T

W

V

V

N

N

S

C

F

Y

G

F

E

A

G

M

D

G

I

S

T

D

T

C

P

P

F

F

G

G

G

G

Y

R

K

K

Q

M

S

S

G

G

F

F

G

-

G

G

R

K

D
|
D

N

E

S

G

V

M

H

H

A

A

H

L

D

D

Q

K

Y

Y

T

L

Q

A

L

V

K

K

T

S

I

V

active site: N159 (= N168), K182 (= K191), E258 (= E267), C292 (= C302), E392 (= E392), D469 (= D470)
binding nicotinamide-adenine-dinucleotide: I155 (≠ V164), I156 (≠ L165), P157 (= P166), W158 (= W167), N159 (= N168), M164 (= M173), K182 (= K191), A184 (= A193), E185 (≠ T194), G215 (= G224), G219 (= G228), F233 (= F242), T234 (= T243), G235 (= G244), S236 (= S245), V239 (≠ T248), E258 (= E267), L259 (≠ M268), C292 (= C302), E392 (= E392), F394 (= F394)

4pxlA Structure of zm aldh2-3 (rf2c) in complex with NAD (see paper)
43% identity, 94% coverage: 20:485/498 of query aligns to 6:476/486 of 4pxlA

query
sites
4pxlA

T

T

G

K

A

L

F

F

I

I

D

D

G

G

G

K

Y

F

R

V

P

D

A

A

I

V

S

S

G

G

Q

K

V

T

F

F

E

E

T

T

V

R

N

D

P

P

A

R

T

T

G

G

A

E

L

V

L

I

T

A

S

S

I

I

A

A

A

E

C

G

G

D

V

K

E

A

D

D

V

V

D

D

F

L

A

A

V

V

E

K

K

A

A

A

R

R

E

E

A

A

F

F

D

D

D

N

G

G

R

P

W

W

S

P

K

R

M

M

H

T

P

G

S

Y

D

E

R

R

K

G

D

R

V

I

L

L

I

H

R

R

L

F

C

A

K

D

L

L

I

I

T

D

R

E

N

H

A

V

R

E

E

E

L

L

A

A

V

A

M

L

E

D

S

T

I

V

D

D

S

A

G

G

K

K

T

L

I

F

Y

A

D

V

C

G

E

K

T

A

V

R

D

D

V

I

P

P

E

G

T

A

I

A

H

H

C

L

L

L

K

R

W

Y

H

Y

A

A

E

G

A

A

I

A

D

D

K

K

I

V

Y

H

D

G

Q

A

V

T

S

L

P

K

A

M

S

A

D

Q

D

R

H

M

I

H

A

G

M

Y

V

T

V

L

R

K

E

E

P

P

I

V

G

G

V

V

V

V

G

G

L

H

V
x
I

L
x
V

P
|
P

W
|
W

N
|
N

F

Y

P

P

L

T

L

T

M

M

L

F

A

F

W

F

K

K

I

V

G

G

P

P

A

A

L

L

A

A

A

A

G

G

C

C

S

A

V

V

V

V

V

V

K
|
K

P

P

A

A

T
x
E

E

Q

T

T

S

P

L

L

T

S

A

A

L

L

K

F

V

Y

A

A

E

H

L

L

A

A

S

R

E

E

A

A

G

G

L

V

P

P

R

A

G

G

V

V

L

L

N

N

V

V

V

V

P

P

G

G

G

F

G
|
G

A

P

E

T

V

A

G
|
G

E
x
A

P

A

I

V

G

A

R

A

H

H

M

M

D

D

I

V

D

D

M

K

V

V

S

S

F
|
F

T

T

G
|
G

S
|
S

T

T

V

E

T
x
V

G

G

K

R

K

L

F

V

L

M

S

R

Y

A

S

A

A

A

E

E

S

S

N

N

A

L

K

K

E

P

V

V

V

S

L

L

E
|
E

M

L

G
|
G

G

G

K

K

N

S

P

P

A

V

I

I

V

V

M

F

D

D

D

D

A

A

E

D

N

-

L

L

D

D

R

-

V

M

A

A

A

V

H

N

V

L

V

V

N

N

G

F

A

A

-

T

F

Y

W

T

N

N

M

K

G

G

E

E

N

I

C
|
C

S

V

A

A

S

G

S

T

R

R

L

I

I

Y

V

V

H

Q

K

E

D

G

V

I

K

Y

A

D

E

E

L

F

L

V

E

K

R

K

I

A

A

A

H

E

H

L

A

A

K

S

H

K

W

S

N

V

V

V

G

G

E

D

P

P

L

F

D

N

P

P

E

S

T

V

R

S

M

Q

G

G

A

P

L

Q

V

V

S

D

E

K

G

D

H
x
Q

Y

Y

N

E

K
|
K

V

V

C

L

G

R

Y

Y

L

I

E

D

-

I

-

G

-

K

-

R

Q

E

A

G

E

A

N

T

V

L

L

V

I

T

G

G

G

G

K

K

-

P

-

C

A

G

E

D

K

K

G

G

-

Y

F

Y

V

I

E

E

A

P

T

T

V

I

V

F

E

T

V

D

P

V

G

K

N

D

D

D

A

M

T

T

L

I

A

A

R

Q

E

D

E
|
E

I

I

F
|
F

G

G

P

P

V

V

L

M

S

A

V

L

I

M

E

K

V

F

S

K

G

T

F

V

D

E

E

E

A

V

I

I

S

Q

I

K

A

A

N

N

D

N

T

T

E

R

Y

Y

G

G

L

L

C

A

A

A

S

G

I

I

F

V

M

T

A

K

N

N

A

I

K

D

R

V

A

A

I

N

R

T

G

V

A

S

R

R

A

S

I

I

R

R

A

A

G

G

T

A

V

I

T

W

V

I

N

N

S

C

F

Y

G

F

E

A

G

F

D

D

I

P

T

D

T

A

P

P

F

F

G

G

G

G

Y

Y

K

K

Q

M

S

S

G

G

F

F

G

-

G

G

R

K

D
|
D

N

M

S

G

V

M

H

D

A

A

H

L

D

D

Q

K

Y

Y

T

L

Q

Q

L

T

K

K

T

T

I

V

active site: N154 (= N168), K177 (= K191), E253 (= E267), C287 (= C302), E384 (= E392), D461 (= D470)
binding nicotinamide-adenine-dinucleotide: I150 (≠ V164), V151 (≠ L165), P152 (= P166), W153 (= W167), K177 (= K191), E180 (≠ T194), G210 (= G224), G214 (= G228), A215 (≠ E229), F228 (= F242), G230 (= G244), S231 (= S245), V234 (≠ T248), E253 (= E267), G255 (= G269), C287 (= C302), Q334 (≠ H349), K337 (= K352), E384 (= E392), F386 (= F394)

Q56YU0 Aldehyde dehydrogenase family 2 member C4; ALDH1a; Protein REDUCED EPIDERMAL FLUORESCENCE 1; EC 1.2.1.3 from Arabidopsis thaliana (Mouse-ear cress) (see paper)
41% identity, 94% coverage: 20:489/498 of query aligns to 20:495/501 of Q56YU0

query
sites
Q56YU0

T

T

G

K

A

L

F

F

I

I

D

N

G

G

G

Q

Y

F

R

I

P

D

A

A

I

A

S

S

G

G

Q

K

V

T

F

F

E

E

T

T

V

I

N

D

P

P

A

R

T

N

G

G

A

E

L

V

L

I

T

A

S

T

I

I

A

A

A

E

C

G

G

D

V

K

E

E

D

D

V

V

D

D

F

L

A

A

V

V

E

N

K

A

A

A

R

R

E

Y

A

A

F

F

D

D

D

H

G

G

R

P

W

W

S

P

K

R

M

M

H

T

P

G

S

F

D

E

R

R

K

A

D

K

V

L

L

I

I

N

R

K

L

F

C

A

K

D

L

L

I

I

T

E

R

E

N

N

A

I

R

E

E

E

L

L

A

A

V

K

M

L

E

D

S

A

I

V

D

D

S

G

G

G

K

K

T

L

I

F

Y

Q

D

L

C

G

E

K

T

Y

V

A

D

D

V

I

P

P

E

A

T

T

I

A

H

G

C

H

L

F

K

R

W

Y

H

N

A

A

E

G

A

A

I

A

D

D

K

K

I

I

Y

H

D

G

Q

E

V

T

S

L

P

K

A

M

S

T

D

R

D

Q

H

S

I

L

-

F

A
x
G

M

Y

V

T

V

L

R

K

E

E

P

P

I

I

G

G

V

V

V

V

G

G

L

N

V

I

L

I

P

P

W

W

N

N

F

F

P

P

L

S

L

I

M

M

L

F

A

A

W

T

K

K

I

V

G

A

P

P

A

A

L

M

A

A

A

A

G

G

C

C

S

T

V

M

V

V

V

V

K

K

P

P

A

A

T

E

E

Q

T

T

S

S

L

L

T

S

A

A

L

L

K

F

V

Y

A

A

E

H

L

L

A

S

S

K

E

E

A

A

G

G

L

I

P

P

R

D

G

G

V

V

L

L

N

N

V

I

V

V

P

T

G

G

G

F

G

G

A

S

E

T

V

A

G

G

E

A

P

A

I

I

G

A

R

S

H

H

M

M

D

D

I

V

D

D

M

K

V

V

S

S

F

F

T

T

G

G

S

S

T

T

V

D

T

V

G

G

K

R

K

K

F

I

L

M

S

Q

Y

A

S

A

A

A

E

A

S

S

N

N

A

L

K

K

E

K

V

V

V

S

L

L

E

E

M

L

G

G

G

G

K

K

N

S

P

P

A

L

I

L

V

I

M

F

D

N

D

D

A

A

E

D

N

-

L

I

D

D

R

K

V

A

A

A

A

D

H

L

V

A

V

L

N

L

G

G

A

C

F

F

W

Y

N

N

M

K

G

G

E

E

N

I

C

C

S

V

A

A

S

S

S

S

R

R

L

V

I

F

V

V

H

Q

K

E

D

G

V

I

K

Y

A

D

E

K

L

V

L

V

E

E

R

K

I

L

A

V

H

E

H

K

A

A

K

K

H

D

W

W

N

T

V

V

G

G

E

D

P

P

L

F

D

D

P

S

E

T

T

A

R

R

M

Q

G

G

A

P

L

Q

V

V

S

D

E

K

G

R

H

Q

Y

F

N

E

K

K

V

I

C

L

G

S

Y

Y

L

I

E

E

Q

H

A

G

E

K

N

N

-

E

-

G

-

A

-

T

V

L

L

L

I

T

G

G

G

G

K

K

A

A

-

I

-

G

E

D

K

K

G

G

-

Y

F

F

V

I

E

Q

A

P

T

T

V

I

V

F

E

A

V

D

P

V

G

T

N

E

D

D

A

M

T

K

L

I

A

Y

R

Q

E

D

E

E

I

I

F

F

G

G

P

P

V

V

L

M

S

S

V

L

I

M

E

K

V

F

S

K

G

T

F

V

D

E

E

E

A
x
G

I

I

S

K

I

C

A

A

N

N

D

N

T

T

E

K

Y

Y

G

G

L

L

C

A

A

A

S

G

I

I

F

L

M

S

A

Q

N

D

A

I

K

D

R

L

A

I

I

N

R

T

G

V

A

S

R

R

A

S

I

I

R

K

A

A

G

G

T

I

V

I

T

W

V

V

N

N

S

C

F

Y

G

F

E

G

G

F

D

D

I

L

T

D

T

C

P

P

F

Y

G

G

G

G

Y

Y

K

K

Q

M

S

S

G

G

F

-

G

N

G

C

R

R

D

E

N

S

S

G

V

M

H

D

A

A

H

L

D

D

Q

N

Y

Y

T

L

Q

Q

L

T

K

K

T

S

I

V

W

V

I

M

D

P

L

L

G152 (≠ A151) mutation to E: In ref1-7; reduced activity on sinapaldehyde.
G416 (≠ A409) mutation to R: In ref1-6; reduced activity on sinapaldehyde.

5gtlA NADPH complex structure of aldehyde dehydrogenase from bacillus cereus
41% identity, 94% coverage: 23:489/498 of query aligns to 20:490/491 of 5gtlA

query
sites
5gtlA

F

F

I

I

D

N

G

G

G

E

Y

F

R

V

P

S

A

A

I

I

S

G

G

G

Q

K

V

T

F

F

E

E

T

T

V

Y

N

N

P

P

A

A

T

T

G

E

A

D

L

V

L

L

T

A

S

V

I

V

A

C

A

E

C

A

G

Q

V

E

E

E

D

D

V

I

D

D

F

A

A

A

V

V

E

K

K

A

A

A

R

R

E

S

A

A

F

F

D

E

D

S

G

G

R

P

W

W

S

A

K

E

M

M

H

T

P

T

S

A

D

E

R

R

K

A

D

H

V

L

L

I

I

Y

R

K

L

L

C

A

K

D

L

L

I

I

T

E

R

E

N

H

A

R

R

E

E

E

L

L

A

A

V

Q

M

L

E

E

S

A

I

L

D

D

S

N

G

G

K

K

T

P

I

Y

Y

Q

D

V

C

A

E

L

T

D

V

D

D

D

V

I

P

S

E

A

T

T

I

V

H

E

C

N

L

Y

K

R

W

Y

H

Y

A

A

E

G

A

W

I

T

D

T

K

K

I

I

Y

I

D

G

Q

Q

V

T

S

I

P

P

A

I

S

S

D

K

D

D

H

Y

I

L

A

N

M

Y

V

T

V

R

R

H

E

E

P

P

I

V

G

G

V

V

V

V

G

G

L

Q

V
x
I

L

I

P
|
P

W

W

N
|
N

F

F

P

P

L

L

L

V

M

M

L

S

A

S

W

W

K

K

I

M

G

G

P

A

A

A

L

L

A

A

A

T

G

G

C

C

S

T

V

I

V

V

V

L

K
|
K

P

P

A
|
A

T
x
E

E
x
Q

T

T

S

P

L

L

T

S

A

L

L

L

K

Y

V

A

A

A

E

K

L

L

A

F

S

K

E

E

A

A

G

G

L

F

P

P

R

N

G

G

V

V

L

V

N

N

V

F

V

V

P

P

G

G

G

F

G
|
G

A

P

E

E

V

A

G
|
G

E

A

P

A

I

I

G

V

R

N

H

H

M

H

D

D

I

I

D

D

M

K

V

V

S

A

F

F

T

T

G
|
G

S
|
S

T

T

V

V

T
|
T

G

G

K

K

K

Y

F

I

L

M

S

R

Y

Q

S

S

A

A

E

E

S

M

N

-

A

I

K

K

E

H

V

V

V

T

L

L

E
|
E

M
x
L

G

G

G

G

K

K

N

S

P

P

A

N

I

I

V

I

M

L

D

E

D

D

A

A

E

D

N

-

L

L

D

E

R

E

V

A

A

I

A

N

H

G

V

A

V

F

N

Q

G

G

A

I

F

M

W

Y

N

N

M

H

G

G

E

Q

N

N

C
|
C

S

S

A

A

S

G

S

S

R

R

L

V

I

F

V

V

H

H

K

R

D

K

V

H

K

Y

A

E

E

T

L

V

L

V

E

D

R

A

I

L

A

V

H

K

H

M

A

A

K

N

H

N

W

V

N

K

V

L

G

G

E

A

P

G

L

M

D

E

P

K

E

E

T

T

R

E

M

M

G

G

A

P

L

L

V

V

S

S

E

K

G

K

H

Q

Y

Q

N

E

K

R

V

V

C

L

G

N

Y

Y

L

I

E

E

Q

Q

A

G

E

K

N

K

-

E

-

G

-

A

-

T

V

V

L

A

I

A

G

G

G

G

K

E

A

R

-

A

-

L

E

E

K

K

G

G

-

Y

F

F

V

V

E

K

A

P

T

T

V

V

V

F

E

T

V

D

P

V

G

T

N

D

D

D

A

M

T

T

L

I

A

V

R

K

E

E

E
|
E

I

I

F
|
F

G

G

P

P

V

V

L

V

S

V

V

V

I

L

E

P

V

F

S

D

G

S

F

T

D

E

E

E

A

V

I

I

S

E

I

R

A

A

N

N

D

N

T

S

E

S

Y

Y

G

G

L

L

C

A

A

A

S

G

I

V

F

W

M

T

A

Q

N

N

A

I

K

K

R

T

A

G

I

H

R

Q

G

V

A

A

R

N

A

K

I

L

R

K

A

A

G

G

T

T

V

V

T

W

V

I

N

N

S

D

F

Y

G

N

E

L

G

E

D

N

I

A

T

A

T

A

P

P

F

F

G

G

G

G

Y

Y

K

K

Q

Q

S

S

G

G

F

I

G

-

G

G

R

R

D
x
E

N

L

S

G

V

S

H

Y

A

A

H

L

D

D

Q

N

Y

Y

T

T

Q

E

L

V

K

K

T

S

I

V

W

W

I

V

D

N

L

I

active site: N165 (= N168), K188 (= K191), E263 (= E267), C297 (= C302), E394 (= E392), E471 (≠ D470)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: I161 (≠ V164), P163 (= P166), K188 (= K191), A190 (= A193), E191 (≠ T194), Q192 (≠ E195), G221 (= G224), G225 (= G228), G241 (= G244), S242 (= S245), T245 (= T248), L264 (≠ M268), C297 (= C302), E394 (= E392), F396 (= F394)

5gtkA NAD+ complex structure of aldehyde dehydrogenase from bacillus cereus
41% identity, 94% coverage: 23:489/498 of query aligns to 20:490/491 of 5gtkA

query
sites
5gtkA

F

F

I

I

D

N

G

G

G

E

Y

F

R

V

P

S

A

A

I

I

S

G

G

G

Q

K

V

T

F

F

E

E

T

T

V

Y

N

N

P

P

A

A

T

T

G

E

A

D

L

V

L

L

T

A

S

V

I

V

A

C

A

E

C

A

G

Q

V

E

E

E

D

D

V

I

D

D

F

A

A

A

V

V

E

K

K

A

A

A

R

R

E

S

A

A

F

F

D

E

D

S

G

G

R

P

W

W

S

A

K

E

M

M

H

T

P

T

S

A

D

E

R

R

K

A

D

H

V

L

L

I

I

Y

R

K

L

L

C

A

K

D

L

L

I

I

T

E

R

E

N

H

A

R

R

E

E

E

L

L

A

A

V

Q

M

L

E

E

S

A

I

L

D

D

S

N

G

G

K

K

T

P

I

Y

Y

Q

D

V

C

A

E

L

T

D

V

D

D

D

V

I

P

S

E

A

T

T

I

V

H

E

C

N

L

Y

K

R

W

Y

H

Y

A

A

E

G

A

W

I

T

D

T

K

K

I

I

Y

I

D

G

Q

Q

V

T

S

I

P

P

A

I

S

S

D

K

D

D

H

Y

I

L

A

N

M

Y

V

T

V

R

R

H

E

E

P

P

I

V

G

G

V

V

V

V

G

G

L

Q

V
x
I

L
x
I

P
|
P

W
|
W

N
|
N

F

F

P

P

L

L

L

V

M

M

L

S

A

S

W

W

K

K

I

M

G

G

P

A

A

A

L

L

A

A

A

T

G

G

C

C

S

T

V

I

V

V

V

L

K
|
K

P

P

A

A

T
x
E

E

Q

T

T

S

P

L

L

T

S

A

L

L

L

K

Y

V

A

A

A

E

K

L

L

A

F

S

K

E

E

A

A

G

G

L

F

P

P

R

N

G

G

V

V

L

V

N

N

V

F

V

V

P

P

G

G

G

F

G
|
G

A

P

E

E

V

A

G
|
G

E
x
A

P

A

I

I

G

V

R

N

H

H

M

H

D

D

I

I

D

D

M

K

V

V

S

A

F
|
F

T

T

G
|
G

S
|
S

T

T

V

V

T
|
T

G

G

K

K

K
x
Y

F

I

L

M

S

R

Y

Q

S

S

A

A

E

E

S

M

N

-

A

I

K

K

E

H

V

V

V

T

L

L

E
|
E

M
x
L

G

G

G

G

K

K

N

S

P

P

A

N

I

I

V

I

M

L

D

E

D

D

A

A

E

D

N

-

L

L

D

E

R

E

V

A

A

I

A

N

H

G

V

A

V

F

N

Q

G

G

A

I

F

M

W

Y

N

N

M

H

G

G

E

Q

N

N

C
|
C

S

S

A

A

S

G

S

S

R

R

L

V

I

F

V

V

H

H

K

R

D

K

V

H

K

Y

A

E

E

T

L

V

L

V

E

D

R

A

I

L

A

V

H

K

H

M

A

A

K

N

H

N

W

V

N

K

V

L

G

G

E

A

P

G

L

M

D

E

P

K

E

E

T

T

R

E

M

M

G

G

A

P

L

L

V

V

S

S

E

K

G

K

H
x
Q

Y

Q

N

E

K
x
R

V

V

C

L

G

N

Y

Y

L

I

E

E

Q

Q

A

G

E

K

N

K

-

E

-

G

-

A

-

T

V

V

L

A

I

A

G

G

G

G

K

E

A

R

-

A

-

L

E

E

K

K

G

G

-

Y

F

F

V

V

E

K

A

P

T

T

V

V

V

F

E

T

V

D

P

V

G

T

N

D

D

D

A

M

T

T

L

I

A

V

R

K

E

E

E
|
E

I

I

F
|
F

G

G

P

P

V

V

L

V

S

V

V

V

I

L

E

P

V

F

S

D

G

S

F

T

D

E

E

E

A

V

I

I

S

E

I

R

A

A

N

N

D

N

T

S

E

S

Y

Y

G

G

L

L

C

A

A

A

S

G

I

V

F

W

M

T

A

Q

N

N

A

I

K

K

R

T

A

G

I

H

R

Q

G

V

A

A

R

N

A

K

I

L

R

K

A

A

G

G

T

T

V

V

T

W

V

I

N

N

S

D

F

Y

G

N

E

L

G

E

D

N

I

A

T

A

T

A

P

P

F

F

G

G

G

G

Y

Y

K

K

Q

Q

S

S

G

G

F

I

G

-

G

G

R

R

D
x
E

N

L

S

G

V

S

H

Y

A

A

H

L

D

D

Q

N

Y

Y

T

T

Q

E

L

V

K

K

T

S

I

V

W

W

I

V

D

N

L

I

active site: N165 (= N168), K188 (= K191), E263 (= E267), C297 (= C302), E394 (= E392), E471 (≠ D470)
binding nicotinamide-adenine-dinucleotide: I161 (≠ V164), I162 (≠ L165), P163 (= P166), W164 (= W167), K188 (= K191), E191 (≠ T194), G221 (= G224), G225 (= G228), A226 (≠ E229), F239 (= F242), G241 (= G244), S242 (= S245), T245 (= T248), Y248 (≠ K251), L264 (≠ M268), C297 (= C302), Q344 (≠ H349), R347 (≠ K352), E394 (= E392), F396 (= F394)

4fr8C Crystal structure of human aldehyde dehydrogenase-2 in complex with nitroglycerin (see paper)
40% identity, 94% coverage: 23:489/498 of query aligns to 19:491/496 of 4fr8C

query
sites
4fr8C

F

F

I

I

D

N

G

N

G