SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_027179882.1 NCBI__GCF_000429985.1:WP_027179882.1 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)

P37685 Aldehyde dehydrogenase B; Acetaldehyde dehydrogenase; EC 1.2.1.4 from Escherichia coli (strain K12) (see paper)
48% identity, 98% coverage: 9:491/491 of query aligns to 25:512/512 of P37685

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P37685

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R197 (≠ S181) mutation to E: Less than 10% of wild-type acetaldehyde dehydrogenase activity.

8rwkA Cryoem structure of the central ald4 filament determined by filamentid (see paper)
45% identity, 98% coverage: 6:485/491 of query aligns to 18:495/495 of 8rwkA

query
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8rwkA

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binding nadp nicotinamide-adenine-dinucleotide phosphate: N168 (= N155), E194 (≠ S181), G224 (= G210), G228 (= G214), F242 (= F228), S245 (= S231), T248 (≠ I234), C300 (= C286), E397 (= E387)

O94788 Retinal dehydrogenase 2; RALDH 2; RalDH2; Aldehyde dehydrogenase family 1 member A2; ALDH1A2; Retinaldehyde-specific dehydrogenase type 2; RALDH(II); EC 1.2.1.36 from Homo sapiens (Human) (see 6 papers)
44% identity, 97% coverage: 10:486/491 of query aligns to 39:516/518 of O94788

query
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O94788

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A

R

A

R

I

S

T

V

E

E

K

R

F

A

E

K

S

R

V
x
R

K
x
V

V

V

G

G

L

S

P

P

W

F

E

D

E

P

D

T

T

T

M

E

M

Q

G

G

S

P

I

Q

I

I

N

D

E

K

K
|
K

Q
|
Q

L
x
Y

N
|
N

Q
x
K

V

I

M

L

G

E

C

L

I

I

E

Q

A

S

G

G

K

V

K

A

E

E

G

G

A
|
A

K

K

L

L

V

E

T

C

G

G

G

G

T

K

K

G

I

L

T

G

E

R

G

-

E

-

L

-

G

-

K

K

G

G

S

F

F

F

L

I

K

E

P

P

T

T

I

V

F

F

A

S

D

N

V

V

D

T

N

D

S

D

M

M

D

R

I

I

A

A

Q

K

Q

E

E
|
E

I

I

F

F

G

G

P

P

V

V

V

Q

C

E

V

I

I

L

K

R

F

F

K

K

D

T

E

M

D

D

E

E

V

V

I

I

A
x
E

M

R

A

A

N

N

D

N

S

S

E

D

F

F

G

G

L

L

G

V

G

A

A

A

V

V

W

F

S

T

K

N

D

D

I

I

N

N

C

K

A

A

M

L

R

T

V

V

A
x
S

R

S

K

A

V

M

E

Q

T

A

G

G

R

T

M

V

W

W

I

I

N

N

T

C

Y

Y

N

N

Q

A

L

L

P

N

A

A

H

Q

S

S

P

P

F

F

G

G

G

G

Y

F

K

K

K

M

S

S

G

G

I

N

G

G

R

R

E

E

T

M

H

G

K

E

M

F

M

G

L

L

A

R

H

E

Y

Y

S

S

Q

E

T

V

K

K

N

T

I

V

F

T

I

V

S

K

M

I

D

P

E

Q

K

K

E50 (≠ K21) to G: in dbSNP:rs34266719
A110 (= A78) to V: in dbSNP:rs35365164
Q182 (= Q150) to K: in DIH4; decreased retinoic acid biosynthetic process
IPW 184:186 (= IPW 152:154) binding NAD(+)
KPAE 210:213 (≠ KPSS 178:181) binding NAD(+)
STE 264:266 (≠ STD 231:233) binding NAD(+)
C320 (= C286) active site, Nucleophile
R347 (≠ V313) to H: in DIH4; decreased expression; dbSNP:rs141245344
V348 (≠ K314) to I: in dbSNP:rs4646626
KQYNK 366:370 (≠ KQLNQ 332:336) binding NAD(+)
A383 (= A349) to T: in DIH4; uncertain significance; dbSNP:rs749124508
E417 (= E387) binding NAD(+)
E436 (≠ A406) to K: in dbSNP:rs34744827
S461 (≠ A431) to Y: in DIH4; decreased retinoic acid biosynthetic process

6b5hA Aldh1a2 liganded with NAD and 1-(4-cyanophenyl)-n-(3-fluorophenyl)-3- [4-(methylsulfonyl)phenyl]-1h-pyrazole-4-carboxamide (compound cm121) (see paper)
44% identity, 97% coverage: 10:486/491 of query aligns to 13:490/492 of 6b5hA

query
sites
6b5hA

K

K

L

I

Y

F

I

I

D

N

G

N

K

E

W

W

I

Q

E

N

N

S

K

E

E

S

G

G

K

R

T

V

F

F

K

P

V

V

F

Y

C

N

P

P

A

A

N

T

G

G

Q

E

Q

Q

L

V

S

C

T

E

C

V

V

Q

N

E

A

A

G

D

K

K

E

A

E

D

V

I

D

D

M

K

A

A

V

V

E

Q

A

A

A

A

K

R

K

L

A

A

F

F

E

S

L

L

-

G

-

S

-

V

W

W

K

R

D

R

I

M

S

D

P

A

Q

S

D

E

R

R

A

G

S

R

Y

L

L

L

L

D

K

K

I

L

A

A

D

D

A

L

I

V

D

E

A

R

E

D

A

R

D

A

K

V

L

L

A

A

M

T

V

M

E

E

T

S

L

L

D

N

N

G

G

G

K

K

P

P

I

F

R

L

E

Q

T

A

K

F

N

Y

I
x
V

D

D

I

L

P

Q

L
x
G

A

V

S

I

D

K

H

T

F

F

R

R

Y

Y

F

Y

A

A

S

G

A

W

V

A

R

D

T

K

D

I

E

H

G

G

S

M

A

T

T

I

M

P

I

V

D

D

K

G

D

D

T

Y

M

F

S

T

I

F

I

T

L

R

H

H

E

E

P

P

I

I

G

G

V

V

V

C

G

G

Q

Q

I
|
I

I
|
I

P

P

W
|
W

N
|
N

F
|
F

P

P

F

L

L

L

M

M

A

F

A

A

W
|
W

K

K

I

I

A

A

P

P

A

A

I

L

A

C

A

C

G

G

N

N

T

T

V

V

V

V

I

I

K
|
K

P

P

S

A

S

E

E

Q

T

T

S

P

L

L

S

S

M

A

L

L

E

Y

F

M

A

G

K

A

I

L

I

I

D

K

K

E

I

A

-

G

L

F

P

P

P

P

G

G

V

V

V

I

N

N

I

I

V

L

T

P

G

G

G

Y

G
|
G

S

P

S

T

T

A

G
|
G

N

A

Y

A

I

I

L

A

E

S

H

H

E

I

G

G

F

I

S

D

K

K

L

I

A

A

F
|
F

T
|
T

G
|
G

S
|
S

T

T

D

E

I
x
V

G

G

Y

K

M

L

I

I

A

Q

D

E

A

A

A

A

A

G

K

R

-

S

K

N

L

L

I

K

P

R

A

V

T

T

L

L

E
|
E

L
|
L

G

G

G

G

K

K

S

S

A

P

N

N

I

I

Y

I

F

F

P

A

D

D

C

A

P

D

W

L

E

D

K

Y

A

A

V

V

E

E

G

Q

A

A

L

H

L
x
Q

G

G

I

V

L

F

F
|
F

N

N

Q

Q

G

G

Q

Q

V

C

C
|
C

C
x
T

A

A

G

G

S

S

R

R

I

I

F

F

V

V

H

E

E

E

E

S

I

I

Y

Y

D

E

R

E

F

F

L

V

A

R

A

R

I

S

T

V

E

E

K

R

F

A

E

K

S

R

V

R

K

V

V

V

G

G

L

S

P

P

W

F

E

D

E

P

D

T

T

T

M

E

M

Q

G

G

S

P

I

Q

I

I

N

D

E

K

K

K

Q

Q

L

Y

N

N

Q

K

V

I

M

L

G

E

C

L

I

I

E

Q

A

S

G

G

K

V

K

A

E

E

G

G

A

A

K

K

L

L

V

E

T

C

G

G

G

G

T

K

K

G

I

L

T

G

E

R

G

-

E

-

L

-

G

-

K

K

G

G

S

F

F

F

L

I

K

E

P

P

T

T

I

V

F

F

A

S

D

N

V

V

D

T

N

D

S

D

M

M

D

R

I

I

A

A

Q

K

Q

E

E

E

I

I

F
|
F

G

G

P

P

V

V

V

Q

C

E

V

I

I

L

K

R

F

F

K

K

D

T

E

M

D

D

E

E

V

V

I

I

A

E

M

R

A

A

N

N

D

N

S

S

E

D

F

F

G

G

L

L

G

V

G

A

A

A

V

V

W

F

S

T

K

N

D

D

I

I

N

N

C

K

A

A

M

L

R

T

V

V

A

S

R

S

K

A

V

M

E

Q

T

A

G

G

R

T

M

V

W

W

I

I

N

N

T

C

Y

Y

N
|
N

Q

A

L
|
L

P
x
N

A

A

H

Q

S

S

P

P

F
|
F

G

G

G

G

Y

F

K

K

K

M

S

S

G

G

I

N

G

G

R

R

E
|
E

T

M

H

G

K

E

M

F

M

G

L

L

A

R

H

E

Y

Y

S

S

Q

E

T

V

K

K

N

T

I

V

F

T

I

V

S

K

M

I

D

P

E

Q

K

K

active site: N161 (= N155), E260 (= E252), C294 (= C286), E468 (= E464)
binding 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide: V112 (≠ I106), G116 (≠ L110), F162 (= F156), W169 (= W163), Q284 (≠ L276), F288 (= F280), T295 (≠ C287), N449 (= N445), L451 (= L447), N452 (≠ P448), F457 (= F453)
binding nicotinamide-adenine-dinucleotide: I157 (= I151), I158 (= I152), W160 (= W154), N161 (= N155), K184 (= K178), G217 (= G210), G221 (= G214), F235 (= F228), T236 (= T229), G237 (= G230), S238 (= S231), V241 (≠ I234), E260 (= E252), L261 (= L253), C294 (= C286), F393 (= F389)

6b5gA Aldh1a2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3- (pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118) (see paper)
44% identity, 97% coverage: 10:486/491 of query aligns to 13:490/492 of 6b5gA

query
sites
6b5gA

K

K

L

I

Y

F

I

I

D

N

G

N

K

E

W

W

I

Q

E

N

N

S

K

E

E

S

G

G

K

R

T

V

F

F

K

P

V

V

F

Y

C

N

P

P

A

A

N

T

G

G

Q

E

Q

Q

L

V

S

C

T

E

C

V

V

Q

N

E

A

A

G

D

K

K

E

A

E

D

V

I

D

D

M

K

A

A

V

V

E

Q

A

A

A

A

K

R

K

L

A

A

F

F

E

S

L

L

-

G

-

S

-

V

W

W

K

R

D

R

I

M

S

D

P

A

Q

S

D

E

R

R

A

G

S

R

Y

L

L

L

L

D

K

K

I

L

A

A

D

D

A

L

I

V

D

E

A

R

E

D

A

R

D

A

K

V

L

L

A

A

M

T

V

M

E

E

T

S

L

L

D

N

N

G

G

G

K

K

P

P

I

F

R

L

E

Q

T

A

K

F

N

Y

I

V

D

D

I

L

P

Q

L

G

A

V

S

I

D

K

H

T

F

F

R

R

Y

Y

F

Y

A

A

S

G

A

W

V

A

R

D

T

K

D

I

E

H

G

G

S

M

A

T

T

I

M

P

I

V

D

D

K

G

D

D

T

Y

M

F

S

T

I

F

I

T

L

R

H

H

E

E

P

P

I

I

G

G

V

V

V

C

G

G

Q

Q

I
|
I

I
|
I

P
|
P

W
|
W

N
|
N

F
|
F

P

P

F

L

L
|
L

M
|
M

A

F

A

A

W
|
W

K

K

I

I

A

A

P

P

A

A

I

L

A

C

A

C

G

G

N

N

T

T

V

V

V

V

I

I

K
|
K

P

P

S

A

S
x
E

E

Q

T

T

S

P

L

L

S

S

M

A

L

L

E

Y

F

M

A

G

K

A

I

L

I

I

D

K

K

E

I

A

-

G

L

F

P

P

P

P

G

G

V

V

V

I

N

N

I

I

V

L

T

P

G

G

G

Y

G
|
G

S

P

S

T

T

A

G
|
G

N

A

Y

A

I

I

L

A

E

S

H

H

E

I

G

G

F

I

S

D

K

K

L

I

A

A

F
|
F

T
|
T

G
|
G

S
|
S

T

T

D

E

I
x
V

G

G

Y

K

M

L

I

I

A

Q

D

E

A

A

A

A

A

G

K

R

-

S

K

N

L

L

I

K

P

R

A

V

T

T

L

L

E
|
E

L
|
L

G

G

G

G

K

K

S

S

A

P

N

N

I

I

Y

I

F

F

P

A

D

D

C

A

P

D

W

L

E

D

K

Y

A

A

V

V

E

E

G

Q

A

A

L

H

L

Q

G

G

I

V

L

F

F
|
F

N

N

Q

Q

G

G

Q

Q

V
x
C

C
|
C

C
x
T

A

A

G

G

S

S

R

R

I

I

F

F

V

V

H

E

E

E

E

S

I

I

Y

Y

D

E

R

E

F

F

L

V

A

R

A

R

I

S

T

V

E

E

K

R

F

A

E

K

S

R

V

R

K

V

V

V

G

G

L

S

P

P

W

F

E

D

E

P

D

T

T

T

M

E

M

Q

G

G

S

P

I

Q

I

I

N

D

E

K

K

K

Q

Q

L

Y

N

N

Q

K

V

I

M

L

G

E

C

L

I

I

E

Q

A

S

G

G

K

V

K

A

E

E

G

G

A

A

K

K

L

L

V

E

T

C

G

G

G

G

T

K

K

G

I

L

T

G

E

R

G

-

E

-

L

-

G

-

K

K

G

G

S

F

F

F

L

I

K

E

P

P

T

T

I

V

F

F

A

S

D

N

V

V

D

T

N

D

S

D

M

M

D

R

I

I

A

A

Q

K

Q

E

E
|
E

I

I

F
|
F

G

G

P

P

V

V

V

Q

C

E

V

I

I

L

K

R

F

F

K

K

D

T

E

M

D

D

E

E

V

V

I

I

A

E

M

R

A

A

N

N

D

N

S

S

E

D

F

F

G

G

L

L

G

V

G

A

A

A

V

V

W

F

S

T

K

N

D

D

I

I

N

N

C

K

A

A

M

L

R

T

V

V

A

S

R

S

K

A

V

M

E

Q

T

A

G

G

R

T

M

V

W

W

I

I

N

N

T

C

Y

Y

N
|
N

Q

A

L
|
L

P

N

A

A

H

Q

S

S

P

P

F

F

G

G

G

G

Y

F

K

K

K

M

S

S

G

G

I

N

G

G

R

R

E
|
E

T

M

H

G

K

E

M

F

M

G

L

L

A

R

H

E

Y

Y

S

S

Q

E

T

V

K

K

N

T

I

V

F

T

I

V

S

K

M

I

D

P

E

Q

K

K

active site: N161 (= N155), E260 (= E252), C294 (= C286), E468 (= E464)
binding (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone: F162 (= F156), L165 (= L159), W169 (= W163), F288 (= F280), C293 (≠ V285), C294 (= C286), T295 (≠ C287), N449 (= N445), L451 (= L447)
binding nicotinamide-adenine-dinucleotide: I157 (= I151), I158 (= I152), P159 (= P153), W160 (= W154), N161 (= N155), M166 (= M160), K184 (= K178), E187 (≠ S181), G217 (= G210), G221 (= G214), F235 (= F228), T236 (= T229), G237 (= G230), S238 (= S231), V241 (≠ I234), E260 (= E252), L261 (= L253), C294 (= C286), E391 (= E387), F393 (= F389)

6aljA Aldh1a2 liganded with NAD and compound win18,446 (see paper)
44% identity, 97% coverage: 10:486/491 of query aligns to 13:490/492 of 6aljA

query
sites
6aljA

K

K

L

I

Y

F

I

I

D

N

G

N

K

E

W

W

I

Q

E

N

N

S

K

E

E

S

G

G

K

R

T

V

F

F

K

P

V

V

F

Y

C

N

P

P

A

A

N

T

G

G

Q

E

Q

Q

L

V

S

C

T

E

C

V

V

Q

N

E

A

A

G

D

K

K

E

A

E

D

V

I

D

D

M

K

A

A

V

V

E

Q

A

A

A

A

K

R

K

L

A

A

F

F

E

S

L

L

-

G

-

S

-

V

W

W

K

R

D

R

I

M

S

D

P

A

Q

S

D

E

R

R

A

G

S

R

Y

L

L

L

L

D

K

K

I

L

A

A

D

D

A

L

I

V

D

E

A

R

E

D

A

R

D

A

K

V

L

L

A

A

M

T

V

M

E

E

T

S

L

L

D

N

N

G

G

G

K

K

P

P

I

F

R

L

E

Q

T

A

K

F

N

Y

I

V

D

D

I

L

P

Q

L
x
G

A

V

S

I

D

K

H

T

F

F

R

R

Y

Y

F

Y

A

A

S

G

A

W

V

A

R

D

T

K

D

I

E

H

G

G

S

M

A

T

T

I

M

P

I

V

D

D

K

G

D

D

T

Y

M

F

S

T

I

F

I

T

L

R

H

H

E

E

P

P

I

I

G

G

V

V

V

C

G

G

Q

Q

I
|
I

I
|
I

P
|
P

W
|
W

N
|
N

F
|
F

P

P

F

L

L
|
L

M
|
M

A

F

A

A

W
|
W

K

K

I

I

A

A

P

P

A

A

I

L

A

C

A

C

G

G

N

N

T

T

V

V

V

V

I

I

K
|
K

P

P

S

A

S
x
E

E

Q

T

T

S

P

L

L

S

S

M

A

L

L

E

Y

F

M

A

G

K

A

I

L

I

I

D

K

K

E

I

A

-

G

L

F

P

P

P

P

G

G

V

V

V

I

N

N

I

I

V

L

T

P

G

G

G

Y

G
|
G

S

P

S

T

T

A

G
|
G

N

A

Y

A

I

I

L

A

E

S

H

H

E

I

G

G

F

I

S

D

K

K

L

I

A

A

F
|
F

T

T

G
|
G

S
|
S

T

T

D

E

I
x
V

G

G

Y

K

M

L

I

I

A

Q

D

E

A

A

A

A

A

G

K

R

-

S

K

N

L

L

I

K

P

R

A

V

T

T

L

L

E
|
E

L

L

G

G

G

G

K

K

S

S

A

P

N

N

I

I

Y

I

F

F

P

A

D

D

C

A

P

D

W

L

E

D

K

Y

A

A

V

V

E

E

G

Q

A

A

L

H

L

Q

G

G

I

V

L

F

F

F

N

N

Q

Q

G

G

Q

Q

V
x
C

C
|
C

C

T

A

A

G

G

S

S

R

R

I

I

F

F

V

V

H

E

E

E

E

S

I

I

Y

Y

D

E

R

E

F

F

L

V

A

R

A

R

I

S

T

V

E

E

K

R

F

A

E

K

S

R

V

R

K

V

V

V

G

G

L

S

P

P

W

F

E

D

E

P

D

T

T

T

M

E

M

Q

G

G

S

P

I

Q

I

I

N

D

E

K

K

K

Q
|
Q

L

Y

N

N

Q
x
K

V

I

M

L

G

E

C

L

I

I

E

Q

A

S

G

G

K

V

K

A

E

E

G

G

A

A

K

K

L

L

V

E

T

C

G

G

G

G

T

K

K

G

I

L

T

G

E

R

G

-

E

-

L

-

G

-

K

K

G

G

S

F

F

F

L

I

K

E

P

P

T

T

I

V

F

F

A

S

D

N

V

V

D

T

N

D

S

D

M

M

D

R

I

I

A

A

Q

K

Q

E

E
|
E

I

I

F
|
F

G

G

P

P

V

V

V

Q

C

E

V

I

I

L

K

R

F

F

K

K

D

T

E

M

D

D

E

E

V

V

I

I

A

E

M

R

A

A

N

N

D

N

S

S

E

D

F

F

G

G

L

L

G

V

G

A

A

A

V

V

W

F

S

T

K

N

D

D

I

I

N

N

C

K

A

A

M

L

R

T

V

V

A

S

R

S

K

A

V

M

E

Q

T

A

G

G

R

T

M

V

W

W

I

I

N

N

T

C

Y

Y

N

N

Q

A

L
|
L

P
x
N

A
|
A

H

Q

S

S

P

P

F

F

G

G

G

G

Y

F

K

K

K

M

S

S

G

G

I

N

G

G

R

R

E
|
E

T

M

H

G

K

E

M

F

M

G

L

L

A

R

H

E

Y

Y

S

S

Q

E

T

V

K

K

N

T

I

V

F

T

I

V

S

K

M

I

D

P

E

Q

K

K

active site: N161 (= N155), E260 (= E252), C294 (= C286), E468 (= E464)
binding N,N'-(octane-1,8-diyl)bis(2,2-dichloroacetamide): G116 (≠ L110), F162 (= F156), L165 (= L159), M166 (= M160), W169 (= W163), E260 (= E252), C293 (≠ V285), C294 (= C286), L451 (= L447), N452 (≠ P448), A453 (= A449)
binding nicotinamide-adenine-dinucleotide: I157 (= I151), I158 (= I152), P159 (= P153), W160 (= W154), N161 (= N155), K184 (= K178), E187 (≠ S181), G217 (= G210), G221 (= G214), F235 (= F228), G237 (= G230), S238 (= S231), V241 (≠ I234), Q341 (= Q333), K344 (≠ Q336), E391 (= E387), F393 (= F389)

5gtlA NADPH complex structure of aldehyde dehydrogenase from bacillus cereus
42% identity, 98% coverage: 5:483/491 of query aligns to 13:490/491 of 5gtlA

query
sites
5gtlA

I

L

D

N

Q

E

S

E

Y

I

K

K

L

M

Y

F

I

I

D

N

G

G

K

E

W

F

I

V

E

S

N

A

K

I

E

G

G

G

K

K

T

T

F

F

K

E

V

T

F

Y

C

N

P

P

A

A

N

T

G

E

Q

D

Q

V

L

L

S

A

T

V

C

V

V

C

N

E

A

A

G

Q

K

E

E

E

E

D

V

I

D

D

M

A

A

A

V

V

E

K

A

A

A

A

K

R

K

S

A

A

F

F

E

E

L

S

-

G

-

P

W

W

K

A

D

E

I

M

S

T

P

T

Q

A

D

E

R

R

A

A

S

H

Y

L

L

I

L

Y

K

K

I

L

A

A

D

D

A

L

I

I

D

E

A

E

E

H

A

R

D

E

K

E

L

L

A

A

M

Q

V

L

E

E

T

A

L

L

D

D

N

N

G

G

K

K

P

P

I

Y

R

Q

E

V

T

A

K

L

N

D

I

D

D

D

I

I

P

S

L

A

A

T

S

V

D

E

H

N

F

Y

R

R

Y

Y

F

Y

A

A

S

G

A

W

V

T

R

T

T

K

D

I

E

I

G

G

S

Q

A

T

T

I

M

P

I

I

D

S

K

K

D

D

T

Y

M

L

S

N

I

Y

I

T

L

R

H

H

E

E

P

P

I

V

G

G

V

V

V

V

G

G

Q

Q

I
|
I

I

I

P
|
P

W

W

N
|
N

F

F

P

P

F

L

L

V

M

M

A

S

A

S

W

W

K

K

I

M

A

G

P

A

A

A

I

L

A

A

A

T

G

G

N

C

T

T

V

I

V

V

I

L

K
|
K

P

P

S
x
A

S
x
E

E
x
Q

T

T

S

P

L

L

S

S

M

L

L

L

E

Y

F

A

A

A

K

K

I

L

I

F

D

K

K

E

I

A

-

G

L

F

P

P

P

N

G

G

V

V

V

V

N

N

I

F

V

V

T

P

G

G

G

F

G
|
G

S

P

S

E

T

A

G
|
G

N

A

Y

A

I

I

L

V

E

N

H

H

E

H

G

D

F

I

S

D

K

K

L

V

A

A

F

F

T

T

G
|
G

S
|
S

T

T

D

V

I
x
T

G

G

Y

K

M

Y

I

I

A

M

D

R

A

Q

A

S

A

A

K

E

K

M

L

I

I

K

P

H

A

V

T

T

L

L

E
|
E

L
|
L

G

G

G

G

K

K

S

S

A

P

N

N

I

I

Y

I

F

L

P

E

D

D

C

A

P

D

W

L

E

E

K

E

A

A

V

I

E

N

G

G

A

A

L

F

L

Q

G

G

I

I

L

M

F

Y

N

N

Q

H

G

G

Q

Q

V

N

C
|
C

C

S

A

A

G

G

S

S

R

R

I

V

F

F

V

V

H

H

E

R

E

K

I

H

Y

Y

D

E

R

T

F

V

L

V

A

D

A

A

I

L

T

V

E

K

K

M

F

A

E

N

S

N

V

V

K

K

V

L

G

G

L

A

P

G

W

M

E

E

E

K

D

E

T

T

M

E

M

M

G

G

S

P

I

L

I

V

N

S

E

K

K

K

Q

Q

L

Q

N

E

Q

R

V

V

M

L

G

N

C

Y

I

I

E

E

A

Q

G

G

K

K

K

K

E

E

G

G

A

A

K

T

L

V

V

A

T

A

G

G

G

G

T

E

K

R

I

A

T

L

E

E

G

-

E

-

L

-

G

-

K

K

G

G

S

Y

F

F

L

V

K

K

P

P

T

T

I

V

F

F

A

T

D

D

V

V

D

T

N

D

S

D

M

M

D

T

I

I

A

V

Q

K

Q

E

E
|
E

I

I

F
|
F

G

G

P

P

V

V

V

V

C

V

V

V

I

L

K

P

F

F

K

D

D

S

E

T

D

E

E

E

V

V

I

I

A

E

M

R

A

A

N

N

D

N

S

S

E

S

F

Y

G

G

L

L

G

A

G

A

A

G

V

V

W

W

S

T

K

Q

D

N

I

I

N

K

C

T

A

G

M

H

R

Q

V

V

A

A

R

N

K

K

V

L

E

K

T

A

G

G

R

T

M

V

W

W

I

I

N

N

T

D

Y

Y

N

N

Q

L

L

E

P

N

A

A

H

A

S

A

P

P

F

F

G

G

G

G

Y

Y

K

K

K

Q

S

S

G

G

I

I

G

G

R

R

E
|
E

T

L

H

G

K

S

M

Y

M

A

L

L

A

D

H

N

Y

Y

S

T

Q

E

T

V

K

K

N

S

I

V

F

W

I

V

S

N

M

I

active site: N165 (= N155), K188 (= K178), E263 (= E252), C297 (= C286), E394 (= E387), E471 (= E464)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: I161 (= I151), P163 (= P153), K188 (= K178), A190 (≠ S180), E191 (≠ S181), Q192 (≠ E182), G221 (= G210), G225 (= G214), G241 (= G230), S242 (= S231), T245 (≠ I234), L264 (= L253), C297 (= C286), E394 (= E387), F396 (= F389)

5gtkA NAD+ complex structure of aldehyde dehydrogenase from bacillus cereus
42% identity, 98% coverage: 5:483/491 of query aligns to 13:490/491 of 5gtkA

query
sites
5gtkA

I

L

D

N

Q

E

S

E

Y

I

K

K

L

M

Y

F

I

I

D

N

G

G

K

E

W

F

I

V

E

S

N

A

K

I

E

G

G

G

K

K

T

T

F

F

K

E

V

T

F

Y

C

N

P

P

A

A

N

T

G

E

Q

D

Q

V

L

L

S

A

T

V

C

V

V

C

N

E

A

A

G

Q

K

E

E

E

E

D

V

I

D

D

M

A

A

A

V

V

E

K

A

A

A

A

K

R

K

S

A

A

F

F

E

E

L

S

-

G

-

P

W

W

K

A

D

E

I

M

S

T

P

T

Q

A

D

E

R

R

A

A

S

H

Y

L

L

I

L

Y

K

K

I

L

A

A

D

D

A

L

I

I

D

E

A

E

E

H

A

R

D

E

K

E

L

L

A

A

M

Q

V

L

E

E

T

A

L

L

D

D

N

N

G

G

K

K

P

P

I

Y

R

Q

E

V

T

A

K

L

N

D

I

D

D

D

I

I

P

S

L

A

A

T

S

V

D

E

H

N

F

Y

R

R

Y

Y

F

Y

A

A

S

G

A

W

V

T

R

T

T

K

D

I

E

I

G

G

S

Q

A

T

T

I

M

P

I

I

D

S

K

K

D

D

T

Y

M

L

S

N

I

Y

I

T

L

R

H

H

E

E

P

P

I

V

G

G

V

V

V

V

G

G

Q

Q

I
|
I

I
|
I

P
|
P

W
|
W

N
|
N

F

F

P

P

F

L

L

V

M

M

A

S

A

S

W

W

K

K

I

M

A

G

P

A

A

A

I

L

A

A

A

T

G

G

N

C

T

T

V

I

V

V

I

L

K
|
K

P

P

S

A

S
x
E

E

Q

T

T

S

P

L

L

S

S

M

L

L

L

E

Y

F

A

A

A

K

K

I

L

I

F

D

K

K

E

I

A

-

G

L

F

P

P

P

N

G

G

V

V

V

V

N

N

I

F

V

V

T

P

G

G

G

F

G
|
G

S

P

S

E

T

A

G
|
G

N
x
A

Y

A

I

I

L

V

E

N

H

H

E

H

G

D

F

I

S

D

K

K

L

V

A

A

F
|
F

T

T

G
|
G

S
|
S

T

T

D

V

I
x
T

G

G

Y

K

M
x
Y

I

I

A

M

D

R

A

Q

A

S

A

A

K

E

K

M

L

I

I

K

P

H

A

V

T

T

L

L

E
|
E

L
|
L

G

G

G

G

K

K

S

S

A

P

N

N

I

I

Y

I

F

L

P

E

D

D

C

A

P

D

W

L

E

E

K

E

A

A

V

I

E

N

G

G

A

A

L

F

L

Q

G

G

I

I

L

M

F

Y

N

N

Q

H

G

G

Q

Q

V

N

C
|
C

C

S

A

A

G

G

S

S

R

R

I

V

F

F

V

V

H

H

E

R

E

K

I

H

Y

Y

D

E

R

T

F

V

L

V

A

D

A

A

I

L

T

V

E

K

K

M

F

A

E

N

S

N

V

V

K

K

V

L

G

G

L

A

P

G

W

M

E

E

E

K

D

E

T

T

M

E

M

M

G

G

S

P

I

L

I

V

N

S

E

K

K

K

Q
|
Q

L

Q

N

E

Q
x
R

V

V

M

L

G

N

C

Y

I

I

E

E

A

Q

G

G

K

K

K

K

E

E

G

G

A

A

K

T

L

V

V

A

T

A

G

G

G

G

T

E

K

R

I

A

T

L

E

E

G

-

E

-

L

-

G

-

K

K

G

G

S

Y

F

F

L

V

K

K

P

P

T

T

I

V

F

F

A

T

D

D

V

V

D

T

N

D

S

D

M

M

D

T

I

I

A

V

Q

K

Q

E

E
|
E

I

I

F
|
F

G

G

P

P

V

V

V

V

C

V

V

V

I

L

K

P

F

F

K

D

D

S

E

T

D

E

E

E

V

V

I

I

A

E

M

R

A

A

N

N

D

N

S

S

E

S

F

Y

G

G

L

L

G

A

G

A

A

G

V

V

W

W

S

T

K

Q

D

N

I

I

N

K

C

T

A

G

M

H

R

Q

V

V

A

A

R

N

K

K

V

L

E

K

T

A

G

G

R

T

M

V

W

W

I

I

N

N

T

D

Y

Y

N

N

Q

L

L

E

P

N

A

A

H

A

S

A

P

P

F

F

G

G

G

G

Y

Y

K

K

K

Q

S

S

G

G

I

I

G

G

R

R

E
|
E

T

L

H

G

K

S

M

Y

M

A

L

L

A

D

H

N

Y

Y

S

T

Q

E

T

V

K

K

N

S

I

V

F

W

I

V

S

N

M

I

active site: N165 (= N155), K188 (= K178), E263 (= E252), C297 (= C286), E394 (= E387), E471 (= E464)
binding nicotinamide-adenine-dinucleotide: I161 (= I151), I162 (= I152), P163 (= P153), W164 (= W154), K188 (= K178), E191 (≠ S181), G221 (= G210), G225 (= G214), A226 (≠ N215), F239 (= F228), G241 (= G230), S242 (= S231), T245 (≠ I234), Y248 (≠ M237), L264 (= L253), C297 (= C286), Q344 (= Q333), R347 (≠ Q336), E394 (= E387), F396 (= F389)

Q63639 Retinal dehydrogenase 2; RALDH 2; RalDH2; Aldehyde dehydrogenase family 1 member A2; ALDH1A2; Retinaldehyde-specific dehydrogenase type 2; RALDH(II); EC 1.2.1.36 from Rattus norvegicus (Rat) (see paper)
44% identity, 97% coverage: 10:486/491 of query aligns to 39:516/518 of Q63639

query
sites
Q63639

K

K

L

I

Y

F

I

I

D

N

G

N

K

E

W

W

I

Q

E

N

N

S

K

E

E

S

G

G

K

R

T

V

F

F

K

P

V

V

F

C

C

N

P

P

A

A

N

T

G

G

Q

E

Q

Q

L

V

S

C

T

E

C

V

V

Q

N

E

A

A

G

D

K

K

E

V

E

D

V

I

D

D

M

K

A

A

V

V

E

Q

A

A

A

A

K

R

K

L

A

A

F

F

E

S

L

L

-

G

-

S

-

V

W

W

K

R

D

R

I

M

S

D

P

A

Q

S

D

E

R

R

A

G

S

R

Y

L

L

L

L

D

K

K

I

L

A

A

D

D

A

L

I

V

D

E

A

R

E

D

A

R

D

A

K

T

L

L

A

A

M

T

V

M

E

E

T

S

L

L

D

N

N

G

G

G

K

K

P

P

I

F

R

L

E

Q

T

A

K

F

N

Y

I

I

D

D

I

L

P

Q

L

G

A

V

S

I

D

K

H

T

F

L

R

R

Y

Y

F

Y

A

A

S

G

A

W

V

A

R

D

T

K

D

I

E

H

G

G

S

M

A

T

T

I

M

P

I

V

D

D

K

G

D

D

T

Y

M

F

S

T

I

F

I

T

L

R

H

H

E

E

P

P

I

I

G

G

V

V

V

C

G

G

Q

Q

I

I

I
|
I

P
|
P

W
|
W

N

N

F

F

P

P

F

L

L

L

M

M

A

F

A

T

W

W

K

K

I

I

A

A

P

P

A

A

I

L

A

C

A

C

G

G

N

N

T

T

V

V

V

V

I

I

K
|
K

P
|
P

S
x
A

S
x
E

E

Q

T

T

S

P

L

L

S

S

M

A

L

L

E

Y

F

M

A

G

K

A

I

L

I

I

D

K

K

E

I

A

-

G

L

F

P

P

P

P

G

G

V

V

V

V

N

N

I

I

V

L

T

P

G

G

G

Y

G

G

S

P

S

T

T

A

G

G

N

A

Y

A

I

I

L

A

E

S

H

H

E

I

G

G

F

I

S

D

K

K

L

I

A

A

F

F

T

T

G

G

S

S

T

T

D

E

I

V

G

G

Y

K

M

L

I

I

A

Q

D

E

A

A

A

A

A

G

K

R

-

S

K

N

L

L

I

K

P

R

A

V

T

T

L

L

E

E

L

L

G

G

G

G

K

K

S

S

A

P

N

N

I

I

Y

I

F

F

P

A

D

D

C

A

P

D

W

L

E

D

K

Y

A

A

V

V

E

E

G

Q

A

A

L

H

L

Q

G

G

I

V

L

F

F

F

N

N

Q

Q

G

G

Q

Q

V

C

C

C

C

T

A

A

G

G

S

S

R

R

I

I

F

F

V

V

H

E

E

E

E

S

I

I

Y

Y

D

E

R

E

F

F

L

V

A

K

A

R

I

S

T

V

E

E

K

R

F

A

E

K

S

R

V

R

K

I

V

V

G

G

L

S

P

P

W

F

E

D

E

P

D

T

T

T

M

E

M

Q

G

G

S

P

I

Q

I

I

N

D

E

K

K

K

Q

Q

L

Y

N

N

Q

K

V

I

M

L

G

E

C

L

I

I

E

Q

A

S

G

G

K

V

K

A

E

E

G

G

A

A

K

K

L

L

V

E

T

C

G

G

G

G

T

K

K

G

I

L

T

G

E

R

G

-

E

-

L

-

G

-

K

K

G

G

S

F

F

F

L

I

K

E

P

P

T

T

I

V

F

F

A

S

D

N

V

V

D

T

N

D

S

D

M

M

D

R

I

I

A

A

Q

K

Q

E

E

E

I

I

F

F

G

G

P

P

V

V

V

Q

C

E

V

I

I

L

K

R

F

F

K

K

D

T

E

M

D

D

E

E

V

V

I

I

A

E

M

R

A

A

N

N

D

N

S

S

E

D

F

F

G

G

L

L

G

V

G

A

A

A

V

V

W

F

S

T

K

N

D

D

I

I

N

N

C

K

A

A

M

L

R

M

V

V

A

S

R

S

K

A

V

M

E

Q

T

A

G

G

R

T

M

V

W

W

I

I

N

N

T

C

Y

Y

N

N

Q

A

L

L

P

N

A

A

H

Q

S

S

P

P

F

F

G

G

G

G

Y

F

K

K

K

M

S

S

G

G

I

N

G

G

R

R

E

E

T

M

H

G

K

E

M

F

M

G

L

L

A

R

H

E

Y

Y

S

S

Q

E

T

V

K

K

N

T

I

V

F

T

I

V

S

K

M

I

D

P

E

Q

K

K

IPW 184:186 (= IPW 152:154) binding NAD(+)
KPAE 210:213 (≠ KPSS 178:181) binding NAD(+)

7radA Crystal structure analysis of aldh1b1
42% identity, 99% coverage: 3:486/491 of query aligns to 7:491/493 of 7radA

query
sites
7radA

N

N

P

P

I

D

D

I

Q

P

S

Y

Y

N

K

Q

L

L

Y

F

I

I

D

N

G

N

K

E

W

W

I

Q

E

D

N

A

K

V

E

S

G

K

K

K

T

T

F

F

K

P

V

T

F

V

C

N

P

P

A

T

N

T

G

G

Q

E

Q

V

L

I

S

G

T

H

C

V

V

A

N

E

A

G

G

D

K

R

E

A

E

D

V

V

D

D

M

R

A

A

V

V

E

K

A

A

A

A

K

R

K

E

A

A

F

F

E

R

L

L

-

G

-

S

-

P

W

W

K

R

D

R

I

M

S

D

P

A

Q

S

D

E

R

R

A

G

S

R

Y

L

L

L

L

N

K

R

I

L

A

A

D

D

A

L

I

V

D

E

A

R

E

D

A

R

D

V

K

Y

L

L

A

A

M

S

V

L

E

E

T

T

L

L

D

D

N

N

G

G

K

K

P

P

I

F

R

Q

E

E

T

S

K

Y

N

A

I
x
L

D

D

I

L

P

D

L
x
E

A

V

S

I

D

K

H

V

F

Y

R

R

Y

Y

F

F

A

A

S

G

A

W

V

A

R

D

T

K

D

W

E

H

G

G

S

K

A

T

T

I

M

P

I

M

D

D

K

G

D

Q

T

H

M

F

S

C

I

F

I

T

L

R

H

H

E

E

P

P

I

V

G

G

V

V

V

C

G

G

Q

Q

I
|
I

I
|
I

P
|
P

W
|
W

N
|
N

F
|
F

P

P

F

L

L

V

M
|
M

A

Q

A

G

W

W

K

K

I

L

A

A

P

P

A

A

I

L

A

A

A

T

G

G

N

N

T

T

V

V

V

V

I

M

K
|
K

P

V

S

A

S
x
E

E

Q

T

T

S

P

L

L

S

S

M

A

L

L

E

Y

F

L

A

A

K

S

I

L

I

I

D

K

K

E

I

A

-

G

L

F

P

P

P

P

G

G

V

V

V

V

N

N

I

I

V

I

T

T

G

G

G

Y

G
|
G

S

P

S

T

T

A

G
|
G

N
x
A

Y

A

I

I

L

A

E

Q

H

H

E

M

G

D

F

V

S

D

K

K

L

V

A

A

F

F

T
|
T

G
|
G

S
|
S

T

T

D

E

I
x
V

G

G

Y

H

M

L

I

I

A

Q

D

K

A

A

A

A

A

G

-

D

K

S

K

N

L

L

I

K

P

R

A

V

T

T

L

L

E
|
E

L
|
L

G

G

G

G

K

K

S

S

A

P

N

S

I

I

Y

V

F

L

P

A

D

D

C

A

P

D

W

M

E

E

K

H

A

A

V

V

E

E

G

Q

A

C

L

H

L
x
E

G

A

I

L

L

F

F
|
F

N

N

Q

M

G

G

Q

Q

V

C

C
|
C

C

C

A

A

G

G

S

S

R

R

I

T

F

F

V

V

H

E

E

E

E

S

I

I

Y

Y

D

N

R

E

F

F

L

L

A

E

A

R

I

T

T

V

E

E

K

K

F

A

E

K

S

Q

V

R

K

K

V

V

G

G

L

N

P

P

W

F

E

E

E

L

D

D

T

T

M

Q

M

Q

G

G

S

P

I

Q

I

V

N

D

E

K

K

E

Q

Q

L

F

N

E

Q

R

V

V

M

L

G

G

C

Y

I

I

E

Q

A

L

G

G

K

Q

K

K

E

E

G

G

A

A

K

K

L

L

V

L

T

C

G

G

G

G

T

E

K

R

I

F

T

G

E

E

G

-

E

-

L

-

G

-

K

R

G

G

S

F

F

F

L

I

K

K

P

P

T

T

I

V

F

F

A

G

D

G

V

V

D

Q

N

D

S

D

M

M

D

R

I

I

A

A

Q

K

Q

E

E
|
E

I

I

F
|
F

G

G

P

P

V

V

V

Q

C

P

V

L

I

F

K

K

F

F

K

K

D

K

E

I

D

E

E

E

V

V

I

V

A

E

M

R

A

A

N

N

D

N

S

T

E

R

F

Y

G

G

L

L

G

A

G

A

A

A

V

V

W

F

S

T

K

R

D

D

I

L

N

D

C

K

A

A

M

M

R

Y

V

F

A

T

R

Q

K

A

V

L

E

Q

T

A

G

G

R

T

M

V

W

W

I

V

N

N

T

T

Y

Y

N
|
N

Q

I

L
x
V

P

T

A

C

H

H

S

T

P

P

F

F

G

G

G

G

Y

F

K

K

K

E

S

S

G

G

I

N

G

G

R

R

E

E

T

L

H

G

K

E

M

D

M

G

L

L

A

K

H

A

Y

Y

S

T

Q

E

T

V

K

K

N

T

I

V

F

T

I

I

S

K

M

V

D

P

E

Q

K

K

binding nicotinamide-adenine-dinucleotide: I158 (= I151), I159 (= I152), P160 (= P153), W161 (= W154), N162 (= N155), M167 (= M160), K185 (= K178), E188 (≠ S181), G218 (= G210), G222 (= G214), A223 (≠ N215), T237 (= T229), G238 (= G230), S239 (= S231), V242 (≠ I234), E261 (= E252), L262 (= L253), C295 (= C286), E392 (= E387), F394 (= F389)
binding 3-(2-methoxyphenyl)-1-(4-phenylphenyl)-6,7,8,9-tetrahydro-5~{H}-imidazo[1,2-a][1,3]diazepine: L113 (≠ I106), E117 (≠ L110), F163 (= F156), E285 (≠ L276), F289 (= F280), N450 (= N445), V452 (≠ L447)

7mjdA Crystal structure analysis of aldh1b1
42% identity, 99% coverage: 3:486/491 of query aligns to 7:491/493 of 7mjdA

query
sites
7mjdA

N

N

P

P

I

D

D

I

Q

P

S

Y

Y

N

K

Q

L

L

Y

F

I

I

D

N

G

N

K

E

W

W

I

Q

E

D

N

A

K

V

E

S

G

K

K

K

T

T

F

F

K

P

V

T

F

V

C

N

P

P

A

T

N

T

G

G

Q

E

Q

V

L

I

S

G

T

H

C

V

V

A

N

E

A

G

G

D

K

R

E

A

E

D

V

V

D

D

M

R

A

A

V

V

E

K

A

A

A

A

K

R

K

E

A

A

F

F

E

R

L

L

-

G

-

S

-

P

W

W

K

R

D

R

I

M

S

D

P

A

Q

S

D

E

R

R

A

G

S

R

Y

L

L

L

L

N

K

R

I

L

A

A

D

D

A

L

I

V

D

E

A

R

E

D

A

R

D

V

K

Y

L

L

A

A

M

S

V

L

E

E

T

T

L

L

D

D

N

N

G

G

K

K

P

P

I

F

R

Q

E

E

T

S

K

Y

N

A

I

L

D

D

I

L

P

D

L
x
E

A

V

S

I

D

K

H

V

F

Y

R

R

Y

Y

F

F

A

A

S

G

A

W

V

A

R

D

T

K

D

W

E

H

G

G

S

K

A

T

T

I

M

P

I

M

D

D

K

G

D

Q

T

H

M

F

S

C

I

F

I

T

L

R

H

H

E

E

P

P

I

V

G

G

V

V

V

C

G

G

Q

Q

I
|
I

I
|
I

P
|
P

W
|
W

N
|
N

F

F

P

P

F

L

L

V

M
|
M

A

Q

A

G

W

W

K

K

I

L

A

A

P

P

A

A

I

L

A

A

A

T

G

G

N

N

T

T

V

V

V

V

I

M

K
|
K

P

V

S

A

S
x
E

E

Q

T

T

S

P

L

L

S

S

M

A

L

L

E

Y

F

L

A

A

K

S

I

L

I

I

D

K

K

E

I

A

-

G

L

F

P

P

P

P

G

G

V

V

V

V

N

N

I

I

V

I

T

T

G

G

G

Y

G
|
G

S

P

S

T

T

A

G
|
G

N

A

Y

A

I

I

L

A

E

Q

H

H

E

M

G

D

F

V

S

D

K

K

L

V

A

A

F
|
F

T
|
T

G
|
G

S
|
S

T

T

D

E

I
x
V

G

G

Y

H

M

L

I

I

A

Q

D

K

A

A

A

A

A

G

-

D

K

S

K

N

L

L

I

K

P

R

A

V

T

T

L

L

E
|
E

L
|
L

G

G

G

G

K

K

S

S

A

P

N

S

I

I

Y

V

F

L

P

A

D

D

C

A

P

D

W

M

E

E

K

H

A

A

V

V

E

E

G

Q

A

C

L

H

L
x
E

G

A

I

L

L

F

F
|
F

N

N

Q

M

G

G

Q

Q

V

C

C
|
C

C

C

A

A

G

G

S

S

R

R

I

T

F

F

V

V

H

E

E

E

E

S

I

I

Y

Y

D

N

R

E

F

F

L

L

A

E

A

R

I

T

T

V

E

E

K

K

F

A

E

K

S

Q

V

R

K

K

V

V

G

G

L

N

P

P

W

F

E

E

E

L

D

D

T

T

M

Q

M

Q

G

G

S

P

I

Q

I

V

N

D

E

K

K

E

Q

Q

L

F

N

E

Q

R

V

V

M

L

G

G

C

Y

I

I

E

Q

A

L

G

G

K

Q

K

K

E

E

G

G

A

A

K

K

L

L

V

L

T

C

G

G

G

G

T

E

K

R

I

F

T

G

E

E

G

-

E

-

L

-

G

-

K

R

G

G

S

F

F

F

L

I

K

K

P

P

T

T

I

V

F

F

A

G

D

G

V

V

D

Q

N

D

S

D

M

M

D

R

I

I

A

A

Q

K

Q

E

E
|
E

I

I

F
|
F

G

G

P

P

V

V

V

Q

C

P

V

L

I

F

K

K

F

F

K

K

D

K

E

I

D

E

E

E

V

V

I

V

A

E

M

R

A

A

N

N

D

N

S

T

E

R

F

Y

G

G

L

L

G

A

G

A

A

A

V

V

W

F

S

T

K

R

D

D

I

L

N

D

C

K

A

A

M

M

R

Y

V

F

A

T

R

Q

K

A

V

L

E

Q

T

A

G

G

R

T

M

V

W

W

I

V

N

N

T

T

Y

Y

N
|
N

Q

I

L
x
V

P

T

A

C

H

H

S

T

P

P

F

F

G

G

G

G

Y

F

K

K

K

E

S

S

G

G

I

N

G

G

R

R

E

E

T

L

H

G

K

E

M

D

M

G

L

L

A

K

H

A

Y

Y

S

T

Q

E

T

V

K

K

N

T

I

V

F

T

I

I

S

K

M

V

D

P

E

Q

K

K

binding nicotinamide-adenine-dinucleotide: I158 (= I151), I159 (= I152), P160 (= P153), W161 (= W154), N162 (= N155), M167 (= M160), K185 (= K178), E188 (≠ S181), G218 (= G210), G222 (= G214), F236 (= F228), T237 (= T229), G238 (= G230), S239 (= S231), V242 (≠ I234), E261 (= E252), L262 (= L253), C295 (= C286), E392 (= E387), F394 (= F389)
binding 8-(2-methoxyphenyl)-10-(4-phenylphenyl)-1$l^{4},8-diazabicyclo[5.3.0]deca-1(7),9-diene: E117 (≠ L110), E285 (≠ L276), F289 (= F280), N450 (= N445), V452 (≠ L447)

7mjcA Crystal structure analysis of aldh1b1
42% identity, 99% coverage: 3:486/491 of query aligns to 7:491/493 of 7mjcA

query
sites
7mjcA

N

N

P

P

I

D

D

I

Q

P

S

Y

Y

N

K

Q

L

L

Y

F

I

I

D

N

G

N

K

E

W

W

I

Q

E

D

N

A

K

V

E

S

G

K

K

K

T

T

F

F

K

P

V

T

F

V

C

N

P

P

A

T

N

T

G

G

Q

E

Q

V

L

I

S

G

T

H

C

V

V

A

N

E

A

G

G

D

K

R

E

A

E

D

V

V

D

D

M

R

A

A

V

V

E

K

A

A

A

A

K

R

K

E

A

A

F

F

E

R

L

L

-

G

-

S

-

P

W

W

K

R

D

R

I

M

S

D

P

A

Q

S

D

E

R

R

A

G

S

R

Y

L

L

L

L

N

K

R

I

L

A

A

D

D

A

L

I

V

D

E

A

R

E

D

A

R

D

V

K

Y

L

L

A

A

M

S

V

L

E

E

T

T

L

L

D

D

N

N

G

G

K

K

P

P

I

F

R

Q

E

E

T

S

K

Y

N

A

I

L

D

D

I

L

P

D

L

E

A

V

S

I

D

K

H

V

F

Y

R

R

Y

Y

F

F

A

A

S

G

A

W

V

A

R

D

T

K

D

W

E

H

G

G

S

K

A

T

T

I

M

P

I

M

D

D

K

G

D

Q

T

H

M

F

S

C

I

F

I

T

L

R

H

H

E

E

P

P

I

V

G

G

V

V

V

C

G

G

Q

Q

I
|
I

I
|
I

P
|
P

W
|
W

N
|
N

F

F

P

P

F

L

L

V

M

M

A

Q

A

G

W

W

K

K

I

L

A

A

P

P

A

A

I

L

A

A

A

T

G

G

N

N

T

T

V

V

V

V

I

M

K
|
K

P

V

S

A

S
x
E

E

Q

T

T

S

P

L

L

S

S

M

A

L

L

E

Y

F

L

A

A

K

S

I

L

I

I

D

K

K

E

I

A

-

G

L

F

P

P

P

P

G

G

V

V

V

V

N

N

I

I

V

I

T

T

G

G

G

Y

G
|
G

S

P

S

T

T

A

G
|
G

N

A

Y

A

I

I

L

A

E

Q

H

H

E

M

G

D

F

V

S

D

K

K

L

V

A

A

F

F

T
|
T

G
|
G

S
|
S

T

T

D

E

I
x
V

G

G

Y

H

M

L

I

I

A

Q

D

K

A

A

A

A

A

G

-

D

K

S

K

N

L

L

I

K

P

R

A

V

T

T

L

L

E
|
E

L
|
L

G

G

G

G

K

K

S

S

A

P

N

S

I

I

Y

V

F

L

P

A

D

D

C

A

P

D

W

M

E

E

K

H

A

A

V

V

E

E

G

Q

A

C

L

H

L

E

G

A

I

L

L

F

F

F

N

N

Q

M

G

G

Q

Q

V

C

C
|
C

C

C

A

A

G

G

S

S

R

R

I

T

F

F

V

V

H

E

E

E

E

S

I

I

Y

Y

D

N

R

E

F

F

L

L

A

E

A

R

I

T

T

V

E

E

K

K

F

A

E

K

S

Q

V

R

K

K

V

V

G

G

L

N

P

P

W

F

E

E

E

L

D

D

T

T

M

Q

M

Q

G

G

S

P

I

Q

I

V

N

D

E

K

K

E

Q

Q

L

F

N

E

Q

R

V

V

M

L

G

G

C

Y

I

I

E

Q

A

L

G

G

K

Q

K

K

E

E

G

G

A

A

K

K

L

L

V

L

T

C

G

G

G

G

T

E

K

R

I

F

T

G

E

E

G

-

E

-

L

-

G

-

K

R

G

G

S

F

F

F

L

I

K

K

P

P

T

T

I

V

F

F

A

G

D

G

V

V

D

Q

N

D

S

D

M

M

D

R

I

I

A

A

Q

K

Q

E

E
|
E

I

I

F
|
F

G

G

P

P

V

V

V

Q

C

P

V

L

I

F

K

K

F

F

K

K

D

K

E

I

D

E

E

E

V

V

I

V

A

E

M

R

A

A

N

N

D

N

S

T

E

R

F

Y

G

G

L

L

G

A

G

A

A

A

V

V

W

F

S

T

K

R

D

D

I

L

N

D

C

K

A

A

M

M

R

Y

V

F

A

T

R

Q

K

A

V

L

E

Q

T

A

G

G

R

T

M

V

W

W

I

V

N

N

T

T

Y

Y

N

N

Q

I

L

V

P

T

A

C

H

H

S

T

P

P

F

F

G

G

G

G

Y

F

K

K

K

E

S

S

G

G

I

N

G

G

R

R

E

E

T

L

H

G

K

E

M

D

M

G

L

L

A

K

H

A

Y

Y

S

T

Q

E

T

V

K

K

N

T

I

V

F

T

I

I

S

K

M

V

D

P

E

Q

K

K

binding nicotinamide-adenine-dinucleotide: I158 (= I151), I159 (= I152), P160 (= P153), W161 (= W154), N162 (= N155), K185 (= K178), E188 (≠ S181), G218 (= G210), G222 (= G214), T237 (= T229), G238 (= G230), S239 (= S231), V242 (≠ I234), E261 (= E252), L262 (= L253), C295 (= C286), E392 (= E387), F394 (= F389)

4o6rA Crystal structure of a putative aldehyde dehydrogenase from burkholderia cenocepacia
39% identity, 97% coverage: 10:484/491 of query aligns to 5:480/489 of 4o6rA

query
sites
4o6rA

K

Q

L

L

Y

F

I

I

D

D

G

G

K

R

W

F

I

V

E

D

N

A

K

V

E

D

G

R

K

G

T

T

F

I

K

D

V

V

F

L

C

N

P

P

A

H

N

D

G

G

Q

S

Q

V

L

I

S

T

T

K

C

I

V

A

N

A

A

A

G

T

K

A

E

A

E

D

V

V

D

D

M

L

A

A

V

V

E

D

A

A

A

A

K

T

K

R

A

A

F

F

E

P

L

A

W

W

K

S

D

A

I

M

S

P

P

A

Q

A

D

E

R

R

A

G

S

R

Y

L

L

L

L

L

K

R

I

L

A

A

D

D

A

A

I

I

D

E

A

A

E

N

A

T

D

E

K

A

L

L

A

A

M

Q

V

L

E

E

T

S

L

L

D

D

N

T

G

G

K

H

P

P

I

I

R

R

E

D

T

S

K

R

N

A

I

L

D

D

I

V

P

P

L

R

A

T

S

A

D

A

H

C

F

F

R

R

Y

Y

F

F

A

G

S

G

A

M

V

A

R

D

T

K

D

L

E

Q

G

G

S

S

A

V

T

I

M

P

I

V

D

D

K

T

D

G

T

F

M

L

S

N

I

Y

I

V

L

Q

H

R

E

A

P

P

I

I

G

G

V

V

V

V

G

G

Q

Q

I
|
I

I
x
V

P

P

W

W

N
|
N

F

F

P

P

F

L

L

M

M

F

A

T

A

S

W

W

K

K

I

M

A

G

P

P

A

A

I

L

A

A

A

A

G

G

N

N

T

T

V

V

V

V

I

L

K
|
K

P

P

S

S

S

E

E

I

T

T

S

P

L

L

S

S

M

T

L

L

E

R

F

I

A

V

K

E

I

L

I

M

D

A

K

E

I

V

-

G

L

F

P

P

P

A

G

G

V

V

V

V

N

N

I

I

V

V

T

P

G

G

G

Y

G
|
G

S

H

S

T

T

A

G
|
G

N
x
Q

Y

R

I

L

L

A

E

E

H

H

E

P

G

G

F

V

S

G

K

K

L

I

A

A

F
|
F

T

T

G
|
G

S
|
S

T

T

D

A

I
x
T

G

G

Y

R

M
x
R

I

I

A

V

D

E

A

A

A

S

A

Q

K

G

K

N

L

L

I

K

P

R

A

V

T

Q

L

L

E
|
E

L

L

G

G

G

G

K

K

S

G

A

A

N

N

I

I

Y

V

F

F

P

D

D

D

C

A

P

N

W

L

E

D

K

A

A

A

V

I

E

N

G

G

A

A

L

A

L

W

G

A

I

I

L

F

F

H

N

N

Q

Q

G

G

Q

Q

V

A

C
|
C

C

I

A

A

G

G

S

S

R

R

I

L

F

V

V

L

H

H

E

E

E

R

I

I

Y

A

D

D

R

A

F

F

L

L

A

E

A

R

I

F

T

V

E

A

K

L

F

A

E

S

S

S

V

I

K

R

V

I

G

G

L

N

P

P

W

L

E

D

E

P

D

N

T

T

M

E

M

M

G

G

S

P

I

L

I

T

N

S

E

K

K

Q

Q

H

L

L

N

D

Q

R

V

V

M

L

G

S

C

Y

I

V

E

D

A

V

G

A

K

R

K

E

E

Q

G

G

A

G

K

R

L

V

V

L

T

T

G

G

G

G

T

S

K

A

I

P

T

Q

E

D

G

P

E

A

L

L

G

A

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N

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G

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Y

F

Y

L

V

K

R

P

P

T

T

I

I

F

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A

E

D

A

V

K

D

H

N

A

S

T

M

D

D

R

I

V

A

A

Q

Q

Q

E

E
|
E

I

V

F

F

G

G

P

P

V

F

V

V

C

T

V

V

I

L

K

R

F

F

K

G

D

S

E

D

D

D

E

E

V

A

I

L

A

A

M

I

A

A

N

N

D

A

S

T

E

E

F

Y

G

G

L

L

G

G

G

S

A

G

V

L

W

W

S

T

K

N

D

D

I

L

N

S

C

R

A

A

M

H

R

R

V

M

A

A

R

A

K

R

V

I

E

D

T

A

G

G

R

M

M

C

W

W

I

I

N

N

T

C

Y

Y

N

K

Q

R

L

V

P

N

A

P

H

G

S

S

P

P

F

F

G

G

G

G

Y

V

K

G

K

K

S

S

G

G

I

Y

G

G

R

R

E
|
E

T

M

H

G

K

F

M

E

M

A

L

M

A

H

H

D

Y

Y

S

T

Q

E

T

A

K

R

N

S

I

V

F

W

I

V

S

N

M

V

D

D

active site: N150 (= N155), K173 (= K178), E248 (= E252), C282 (= C286), E383 (= E387), E460 (= E464)
binding adenosine monophosphate: I146 (= I151), V147 (≠ I152), K173 (= K178), G206 (= G210), G210 (= G214), Q211 (≠ N215), F224 (= F228), G226 (= G230), S227 (= S231), T230 (≠ I234), R233 (≠ M237)

O14293 Putative aldehyde dehydrogenase-like protein C9E9.09c; EC 1.2.1.- from Schizosaccharomyces pombe (strain 972 / ATCC 24843) (Fission yeast) (see paper)
43% identity, 97% coverage: 7:483/491 of query aligns to 21:497/503 of O14293

query
sites
O14293

Q

Q

S

P

Y

V

K

G

L

L

Y

F

I

I

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N

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E

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K

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T

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F

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Y

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S

P

P

A

S

N

T

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E

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K

Q

L

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T

E

C

V

V

A

N

D

A

A

G

D

K

E

E

E

E

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V

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D

D

M

I

A

A

V

V

E

K

A

V

A

A

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R

K

A

A

A

F

F

E

Q

L

T

-

D

-

A

-

P

W

W

K

R

D

K

I

F

S

S

P

S

Q

A

D

Q

R

R

A

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S

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Y

C

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L

L

S

K

R

I

L

A

A

D

D

A

C

I

I

D

E

A

Q

E

N

A

L

D

E

K

Y

L

L

A

A

M

S

V

I

E

E

T

T

L

L

D

D

N

N

G

G

K

K

P

S

I

I

R

T

E

L

T

A

K

R

N

G

I

-

D

D

I

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P

Q

L

A

A

A

S

A

D

D

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C

F

F

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R

Y

Y

F

Y

A

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G

A

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A

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K

D

D

E

Y

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A

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T

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M

E

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K

I

D

K

T

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M

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A

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Y

I

T

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R

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E

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P

I

I

G

G

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V

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C

G

G

Q

Q

I

I

I

I

P

P

W

W

N

N

F

F

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F

F

L

L

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M

A

C

A

A

W

W

K

K

I

I

A

A

P

P

A

A

I

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A

A

A

C

G

G

N

N

T

T

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I

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I

I

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K

P

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A

S

E

E

L

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T

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P

L

L

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S

M

A

L

L

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C

F

L

A

T

K

K

I

F

I

V

D

P

K

E

I

C

-

G

L

F

P

P

P

P

G

G

V

V

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I

N

N

I

V

V

L

T

S

G

G

G

D

G

G

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R

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C

G

G

N

N

Y

A

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A

A

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|
S

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D

G

I

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Y

R

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M

I

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A

M

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R

A

A

A

A

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-

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N

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K

A

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T

T

L

L

E

E

L

L

G

G

G

G

K

K

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S

A

P

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N

I

I

Y

V

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F

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N

D

D

C

A

P

D

W

L

E

D

K

S

A

A

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A

E

V

G

W

A

T

L

N

L

Y

G

G

I

I

L

F

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Y

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N

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S

G

G

Q

Q

V

V

C

C

C

C

A

A

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I

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Y

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E

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I

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Y

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F

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A

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A

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A

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L

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K

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G

G

L

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P

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W

F

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A

E

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D

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M

F

M

Q

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A

I

Q

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S

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Q

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Y

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Y

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-

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-

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-

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N

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D

A

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Q

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P

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L

C

A

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V

I

I

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F

F

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K

D

T

E

I

D

E

E

E

V

A

I

I

A

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M

R

A

G

N

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F

Y

G

G

L

L

G

A

G

A

A

G

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K

N

D

N

I

I

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C

N

A

A

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K

A

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L

E

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A

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G

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W

I

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N

N

T

C

Y

Y

N

N

Q

L

L

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A

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S

I

P

P

F

F

G

G

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G

Y

Y

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E

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S

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G

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I

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G

R

R

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E

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L

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G

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Y

M

G

L

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A

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Y

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Q

Q

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K

K

N

A

I

V

F

H

I

I

S

N

M

L

S248 (= S231) modified: Phosphoserine

Sites not aligning to the query:

501 modified: Phosphoserine

P05091 Aldehyde dehydrogenase, mitochondrial; ALDH class 2; ALDH-E2; ALDHI; EC 1.2.1.3 from Homo sapiens (Human) (see 5 papers)
42% identity, 99% coverage: 2:486/491 of query aligns to 30:515/517 of P05091

query
sites
P05091

Q

Q

N

Q

P

P

I

E

D

V

Q

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Y

N

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Q

L

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N

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F

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N

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P

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T

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G

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C

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V

A

N

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A

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G

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K

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E

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D

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K

A

A

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V

E

K

A

A

A

A

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K

A

A

A

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F

E

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L

L

-

G

-

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-

P

W

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K

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I

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D

P

A

Q

S

D

H

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R

A

G

S

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Y

L

L

L

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N

K

R

I

L

A

A

D

D

A

L

I

I

D

E

A

R

E

D

A

R

D

T

K

Y

L

L

A

A

M

A

V

L

E

E

T

T

L

L

D

D

N

N

G

G

K

K

P

P

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Y

R

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E

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K

Y

N

L

I

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D

I

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P

D

L

M

A

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S

L

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C

F

L

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R

Y

Y

F

Y

A

A

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A

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A

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K

D

Y

E

H

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K

A

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T

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M

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I

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D

K

G

D

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T

F

M

F

S

S

I

Y

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R

H

H

E

E

P

P

I

V

G

G

V

V

V

C

G

G

Q

Q

I

I

I

I

P

P

W

W

N

N

F

F

P

P

F

L

L

L

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M

A

Q

A

A

W

W

K

K

I

L

A

G

P

P

A

A

I

L

A

A

A

T

G

G

N

N

T

V

V

V

V

V

I

M

K

K

P

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S

A

S

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T

T

S

P

L

L

S

T

M

A

L

L

E

Y

F

V

A

A

K

N

I

L

I

I

D

K

K

E

I

A

-

G

L

F

P

P

P

P

G

G

V

V

V

V

N

N

I

I

V

V

T

P

G

G

G

F

G

G

S

P

S

T

T

A

G

G

N

A

Y

A

I

I

L

A

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H

H

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D

F

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S

D

K

K

L

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A

A

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T

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E

I

I

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Y

R

M

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I

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Q

D

V

A

A

A

A

-

G

A

S

K

S

K

N

L

L

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K

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R

A

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T

T

L

L

E

E

L

L

G

G

G

G

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K

S

S

A

P

N

N

I

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Y

I

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M

P

S

D

D

C

A

P

D

W

M

E

D

K

W

A

A

V

V

E

E

G

Q

A

A

L

H

L

F

G

A

I

L

L

F

F

F

N

N

Q

Q

G

G

Q

Q

V

C

C

C

C

C

A

A

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G

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S

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R

I

T

F

F

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Q

E

E

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Y

D

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E

F

F

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A
x
E

A

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E

A

K

R

F

A

E

K

S

S

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R

K

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G

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P

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F

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E

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E

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P

I

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N

D

E

E

K

T

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Q

L

F

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M

L

G

G

C

Y

I

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E

N

A

T

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G

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K

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Q

E

E

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G

A

A

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K

L

L

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L

T

C

G

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I

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T

A

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D

G

-

E

-

L

-

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-

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R

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Y

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F

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I

K

Q

P

P

T

T

I

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F

F

A

G

D

D

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V

D

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N

D

S

G

M

M

D

T

I

I

A

A

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K

Q

E

E

E

I

I

F

F

G

G

P

P

V

V

V

M

C

Q

V

I

I

L

K

K

F

F

K

K

D

T

E

I

D

E

E

E

V

V

I

V

A

G

M

R

A

A

N

N

D

N

S

S

E

T

F

Y

G

G

L

L

G

A

G

A

A

A

V

V

W

F

S

T

K

K

D

D

I

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N

D

C

K

A

A

M

N

R

Y

V

L

A

S

R

Q

K

A

V

L

E

Q

T

A

G

G

R

T

M

V

W

W

I

V

N

N

T

C

Y

Y

N

D

Q

V

L

F

P

G

A

A

H

Q

S

S

P

P

F

F

G

G

G

G

Y

Y

K

K

K

M

S

S

G

G

I

S

G

G

R

R

E

E

T

L

H

G

K
x
E

M

Y

M

G

L

L

A

Q

H

A

Y

Y

S

T

Q
x
E

T

V

K

K

N

T

I

V

F

T

I

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S

K

M

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D

P

E

Q

K

K

E337 (≠ A304) to V: in dbSNP:rs1062136
E496 (≠ K467) to K: in allele ALDH2*3; dbSNP:rs769724893
E504 (≠ Q475) to K: in AMEDS; allele ALDH2*2; drastic reduction of enzyme activity; dbSNP:rs671

Sites not aligning to the query:

9:24 SIFI-degron

P20000 Aldehyde dehydrogenase, mitochondrial; ALDH class 2; ALDH-E2; ALDHI; EC 1.2.1.3 from Bos taurus (Bovine) (see 2 papers)
42% identity, 99% coverage: 2:486/491 of query aligns to 33:518/520 of P20000

query
sites
P20000

Q

Q

N

Q

P

P

I

E

D

V

Q

L

S

Y

Y

N

K

Q

L

I

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F

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W

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E

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N

A

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T

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C

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V

A

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A

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E

A

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A

A

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A

A

A

A

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R

K

A

A

A

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F

E

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L

L

-

G

-

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-

P

W

W

K

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D

R

I

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D

P

A

Q

S

D

E

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R

A

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Y

L

L

L

L

N

K

R

I

L

A

A

D

D

A

L

I

I

D

E

A

R

E

D

A

R

D

T

K

Y

L

L

A

A

M

A

V

L

E

E

T

T

L

L

D

D

N

N

G

G

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K

P

P

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R

I

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I

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K

Y

N

L

I

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D

D

I

L

P

D

L

M

A

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S

L

D

K

H

C

F

L

R

R

Y

Y

F

Y

A

A

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G

A

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V

A

R

D

T

K

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Y

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G

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K

A

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T

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M

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I

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D

D

K

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D

D

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M

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Y

I

T

L

R

H

H

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P

P

I

V

G

G

V

V

V

C

G

G

Q

Q

I

I

I
|
I

P
|
P

W
|
W

N
|
N

F

F

P

P

F

L

L

L

M

M

A

Q

A

A

W

W

K

K

I

L

A

G

P

P

A

A

I

L

A

A

A

T

G

G

N

N

T

V

V

V

V

V

I

M

K
|
K

P
x
V

S
x
A

S
x
E

E

Q

T

T

S

P

L

L

S

T

M

A

L

L

E

Y

F

V

A

A

K

N

I

L

I

I

D

K

K

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I

A

-

G

L

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P

P

P

P

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G

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V

V

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N

N

I

V

V

I

T

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G

G

G

F

G
|
G

S

P

S

T

T

A

G

G

N

A

Y

A

I

I

L

A

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S

H

H

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D

F

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S

D

K

K

L

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A

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T

G
|
G

S
|
S

T
|
T

D
x
E

I
x
V

G
|
G

Y

H

M

L

I

I

A

Q

D

V

A

A

A

A

A

G

K

K

-

S

K

N

L

L

I

K

P

R

A

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T

T

L

L

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|
E

L

L

G

G

G

G

K

K

S

S

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N

N

I

I

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I

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M

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D

C

A

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D

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M

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D

K

W

A

A

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V

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E

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Q

A

A

L

H

L

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G

A

I

L

L

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F

F

N

N

Q

Q

G

G

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Q

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C

C

C

C

C

A

A

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G

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S

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R

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V

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Q

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K

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K

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V

M

L

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G

C

Y

I

I

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K

A

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G

G

K

K

K

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E

E

G

G

A

A

K

K

L

L

V

L

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C

G

G

G

G

T

G

K

A

I

A

T

A

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D

G

-

E

-

L

-

G

-

K

R

G

G

S

Y

F

F

L

I

K

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P

P

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T

I

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F

F

A

G

D

D

V

V

D

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N

D

S

G

M

M

D

T

I

I

A

A

Q

K

Q

E

E
|
E

I
|
I

F
|
F

G

G

P

P

V

V

V

M

C

Q

V

I

I

L

K

K

F

F

K

K

D

S

E

M

D

E

E

E

V

V

I

V

A

G

M

R

A

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N

D

N

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S

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K

F

Y

G

G

L

L

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A

G

A

A

A

V

V

W

F

S

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K

K

D

D

I

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N

D

C

K

A

A

M

N

R

Y

V

L

A

S

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Q

K

A

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L

E

Q

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A

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G

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T

M

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W

W

I

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N

N

T

C

Y

Y

N

D

Q

V

L

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P

G

A

A

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Q

S

S

P

P

F

F

G

G

G

G

Y

Y

K

K

K

L

S

S

G

G

I

S

G

G

R

R

E

E

T

L

H

G

K

E

M

Y

M

G

L

L

A

Q

H

A

Y

Y

S

T

Q

E

T

V

K

K

N

T

I

V

F

T

I

V

S

R

M

V

D

P

E

Q

K

K

IPW 186:188 (= IPW 152:154) binding NAD(+)
N189 (= N155) Transition state stabilizer
KVAE 212:215 (≠ KPSS 178:181) binding NAD(+)
G245 (= G210) binding NAD(+)
GSTEVG 265:270 (≠ GSTDIG 230:235) binding NAD(+)
E288 (= E252) binding NAD(+)
EIF 419:421 (= EIF 387:389) binding NAD(+)

Sites not aligning to the query:

1:21 modified: transit peptide, Mitochondrion

5l13A Structure of aldh2 in complex with 2p3 (see paper)
42% identity, 99% coverage: 2:486/491 of query aligns to 7:492/494 of 5l13A

query
sites
5l13A

Q

Q

N

Q

P

P

I

E

D

V

Q

F

S

C

Y

N

K

Q

L

I

Y

F

I

I

D

N

G

N

K

E

W

W

I

H

E

D

N

A

K

V

E

S

G

R

K

K

T

T

F

F

K

P

V

T

F

V

C

N

P

P

A

S

N

T

G

G

Q

E

Q

V

L

I

S

C

T

Q

C

V

V

A

N

E

A

G

G

D

K

K

E

E

E

D

V

V

D

D

M

K

A

A

V

V

E

K

A

A

A

A

K

R

K

A

A

A

F

F

E

Q

L

L

-

G

-

S

-

P

W

W

K

R

D

R

I

M

S

D

P

A

Q

S

D

H

R

R

A

G

S

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Y

L

L

L

L

N

K

R

I

L

A

A

D

D

A

L

I

I

D

E

A

R

E

D

A

R

D

T

K

Y

L

L

A

A

M

A

V

L

E

E

T

T

L

L

D

D

N

N

G

G

K

K

P

P

I

Y

R

V

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I

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K

Y

N

L

I

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D

I

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D

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K

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L

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Y

Y

F

Y

A

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A

W

V

A

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K

D

Y

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H

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G

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K

A

T

T

I

M

P

I

I

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D

K

G

D

D

T

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M

F

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S

I

Y

I

T

L

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H

H

E

E

P

P

I

V

G

G

V

V

V

C

G

G

Q

Q

I

I

I

I

P

P

W

W

N
|
N

F
|
F

P

P

F

L

L

L

M
|
M

A

Q

A

A

W
|
W

K

K

I

L

A

G

P

P

A

A

I

L

A

A

A

T

G

G

N

N

T

V

V

V

V

V

I

M

K
|
K

P

V

S

A

S

E

E

Q

T

T

S

P

L

L

S

T

M

A

L

L

E

Y

F

V

A

A

K

N

I

L

I

I

D

K

K

E

I

A

-

G

L

F

P

P

P

P

G

G

V

V

V

V

N

N

I

I

V

V

T

P

G

G

G

F

G

G

S

P

S

T

T

A

G

G

N

A

Y

A

I

I

L

A

E

S

H

H

E

E

G

D

F

V

S

D

K

K

L

V

A

A

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F

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T

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G

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S

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T

D

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I

I

G

G

Y

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M

V

I

I

A

Q

D

V

A

A

A

A

-

G

A

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K

S

K

N

L

L

I

K

P

R

A

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T

T

L

L

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|
E

L

L

G

G

G

G

K

K

S

S

A

P

N

N

I

I

Y

I

F

M

P

S

D

D

C

A

P

D

W

M

E

D

K

W

A

A

V

V

E

E

G

Q

A

A

L

H

L

F

G

A

I

L

L

F

F
|
F

N

N

Q

Q

G

G

Q

Q

V
x
C

C
|
C

C
|
C

A

A

G

G

S

S

R

R

I

T

F

F

V

V

H

Q

E

E

E

D

I

I

Y

Y

D

D

R

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F

F

L

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A

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A

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G

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T

M

E

M

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G

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D

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Q

L

F

N

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M

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G

C

Y

I

I

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N

A

T

G

G

K

K

K

Q

E

E

G

G

A

A

K

K

L

L

V

L

T

C

G

G

G

G

T

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K

I

I

A

T

A

E

D

G

-

E

-

L

-

G

-

K

R

G

G

S

Y

F

F

L

I

K

Q

P

P

T

T

I

V

F

F

A

G

D

D

V

V

D

Q

N

D

S

G

M

M

D

T

I

I

A

A

Q

K

Q

E

E
|
E

I

I

F

F

G

G

P

P

V

V

V

M

C

Q

V

I

I

L

K

K

F

F

K

K

D

T

E

I

D

E

E

E

V

V

I

V

A

G

M

R

A

A

N

N

D

N

S

S

E

T

F

Y

G

G

L

L

G

A

G

A

A

A

V

V

W

F

S

T

K

K

D

D

I

L

N

D

C

K

A

A

M

N

R

Y

V

L

A

S

R

Q

K

A

V

L

E

Q

T

A

G

G

R

T

M

V

W

W

I

V

N

N

T

C

Y

Y

N
x
D

Q

V

L
x
F

P

G

A

A

H

Q

S

S

P

P

F

F

G

G

G

G

Y

Y

K

K

K

M

S

S

G

G

I

S

G

G

R

R

E
|
E

T

L

H

G

K

E

M

Y

M

G

L

L

A

Q

H

A

Y

Y

S

T

Q

E

T

V

K

K

N

T

I

V

F

T

I

V

S

K

M

V

D

P

E

Q

K

K

active site: N163 (= N155), K186 (= K178), E262 (= E252), C296 (= C286), E393 (= E387), E470 (= E464)
binding 2,3,5-trimethyl-6-propyl-7H-furo[3,2-g][1]benzopyran-7-one: F164 (= F156), M168 (= M160), W171 (= W163), F290 (= F280), C295 (≠ V285), C296 (= C286), C297 (= C287), D451 (≠ N445), F453 (≠ L447)

4kwgA Crystal structure analysis of aldh2+aldib13 (see paper)
42% identity, 99% coverage: 2:486/491 of query aligns to 7:492/494 of 4kwgA

query
sites
4kwgA

Q

Q

N

Q

P

P

I

E

D

V

Q

F

S

C

Y

N

K

Q

L

I

Y

F

I

I

D

N

G

N

K

E

W

W

I

H

E

D

N

A

K

V

E

S

G

R

K

K

T

T

F

F

K

P

V

T

F

V

C

N

P

P

A

S

N

T

G

G

Q

E

Q

V

L

I

S

C

T

Q

C

V

V

A

N

E

A

G

G

D

K

K

E

E

E

D

V

V

D

D

M

K

A

A

V

V

E

K

A

A

A

A

K

R

K

A

A

A

F

F

E

Q

L

L

-

G

-

S

-

P

W

W

K

R

D

R

I

M

S

D

P

A

Q

S

D

H

R

R

A

G

S

R

Y

L

L

L

L

N

K

R

I

L

A

A

D

D

A

L

I

I

D

E

A

R

E

D

A

R

D

T

K

Y

L

L

A

A

M

A

V

L

E

E

T

T

L

L

D

D

N

N

G

G

K

K

P

P

I

Y

R

V

E

I

T

S

K

Y

N

L

I

V

D

D

I

L

P

D

L

M

A

V

S

L

D

K

H

C

F

L

R

R

Y

Y

F

Y

A

A

S

G

A

W

V

A

R

D

T

K

D

Y

E

H

G

G

S

K

A

T

T

I

M

P

I

I

D

D

K

G

D

D

T

F

M

F

S

S

I

Y

I

T

L

R

H

H

E

E

P

P

I

V

G

G

V

V

V

C

G

G

Q

Q

I

I

I

I

P

P

W

W

N
|
N

F
|
F

P

P

F

L

L

L

M
|
M

A

Q

A

A

W

W

K

K

I

L

A

G

P

P

A

A

I

L

A

A

A

T

G

G

N

N

T

V

V

V

V

V

I

M

K
|
K

P

V

S

A

S

E

E

Q

T

T

S

P

L

L

S

T

M

A

L

L

E

Y

F

V

A

A

K

N

I

L

I

I

D

K

K

E

I

A

-

G

L

F

P

P

P

P

G

G

V

V

V

V

N

N

I

I

V

V

T

P

G

G

G

F

G

G

S

P

S

T

T

A

G

G

N

A

Y

A

I

I

L

A

E

S

H

H

E

E

G

D

F

V

S

D

K

K

L

V

A

A

F

F

T

T

G

G

S

S

T

T

D

E

I

I

G

G

Y

R

M

V

I

I

A

Q

D

V

A

A

A

A

-

G

A

S

K

S

K

N

L

L

I

K

P

R

A

V

T

T

L

L

E
|
E

L

L

G

G

G

G

K

K

S

S

A

P

N

N

I

I

Y

I

F

M

P

S

D

D

C

A

P

D

W

M

E

D

K

W

A

A

V

V

E

E

G

Q

A

A

L

H

L

F

G

A

I

L

L

F

F

F

N

N

Q

Q

G

G

Q

Q

V
x
C

C
|
C

C
|
C

A

A

G

G

S

S

R

R

I

T

F

F

V

V

H

Q

E

E

E

D

I

I

Y

Y

D

D

R

E

F

F

L

V

A

E

A

R

I

S

T

V

E

A

K

R

F

A

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S

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V

R

K

V

V

V

G

G

L

N

P

P

W

F

E

D

E

S

D

K

T

T

M

E

M

Q

G

G

S

P

I

Q

I

V

N

D

E

E

K

T

Q

Q

L

F

N

K

Q

K

V

I

M

L

G

G

C

Y

I

I

E

N

A

T

G

G

K

K

K

Q

E

E

G

G

A

A

K

K

L

L

V

L

T

C

G

G

G

G

T

G

K

I

I

A

T

A

E

D

G

-

E

-

L

-

G

-

K

R

G

G

S

Y

F

F

L

I

K

Q

P

P

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T

I

V

F

F

A

G

D

D

V

V

D

Q

N

D

S

G

M

M

D

T

I

I

A

A

Q

K

Q

E

E
|
E

I

I

F

F

G

G

P

P

V

V

V

M

C

Q

V

I

I

L

K

K

F

F

K

K

D

T

E

I

D

E

E

E

V

V

I

V

A

G

M

R

A

A

N

N

D

N

S

S

E

T

F

Y

G

G

L

L

G

A

G

A

A

A

V

V

W

F

S

T

K

K

D

D

I

L

N

D

C

K

A

A

M

N

R

Y

V

L

A

S

R

Q

K

A

V

L

E

Q

T

A

G

G

R

T

M

V

W

W

I

V

N

N

T

C

Y

Y

N
x
D

Q

V

L
x
F

P

G

A

A

H

Q

S

S

P

P

F

F

G

G

G

G

Y

Y

K

K

K

M

S

S

G

G

I

S

G

G

R

R

E
|
E

T

L

H

G

K

E

M

Y

M

G

L

L

A

Q

H

A

Y

Y

S

T

Q

E

T

V

K

K

N

T

I

V

F

T

I

V

S

K

M

V

D

P

E

Q

K

K

active site: N163 (= N155), K186 (= K178), E262 (= E252), C296 (= C286), E393 (= E387), E470 (= E464)
binding 7-bromo-5-methyl-1H-indole-2,3-dione: F164 (= F156), M168 (= M160), C295 (≠ V285), C296 (= C286), C297 (= C287), D451 (≠ N445), F453 (≠ L447)

4kwfA Crystal structure analysis of aldh2+aldib33 (see paper)
42% identity, 99% coverage: 2:486/491 of query aligns to 7:492/494 of 4kwfA

query
sites
4kwfA

Q

Q

N

Q

P

P

I

E

D

V

Q

F

S

C

Y

N

K

Q

L

I

Y

F

I

I

D

N

G

N

K

E

W

W

I

H

E

D

N

A

K

V

E

S

G

R

K

K

T

T

F

F

K

P

V

T

F

V

C

N

P

P

A

S

N

T

G

G

Q

E

Q

V

L

I

S

C

T

Q

C

V

V

A

N

E

A

G

G

D

K

K

E

E

E

D

V

V

D

D

M

K

A

A

V

V

E

K

A

A

A

A

K

R

K

A

A

A

F

F

E

Q

L

L

-

G

-

S

-

P

W

W

K

R

D

R

I

M

S

D

P

A

Q

S

D

H

R

R

A

G

S

R

Y

L

L

L

L

N

K

R

I

L

A

A

D

D

A

L

I

I

D

E

A

R

E

D

A

R

D

T

K

Y

L

L

A

A

M

A

V

L

E

E

T

T

L

L

D

D

N

N

G

G

K

K

P

P

I

Y

R

V

E

I

T

S

K

Y

N

L

I

V

D

D

I

L

P

D

L

M

A

V

S

L

D

K

H

C

F

L

R

R

Y

Y

F

Y

A

A

S

G

A

W

V

A

R

D

T

K

D

Y

E

H

G

G

S

K

A

T

T

I

M

P

I

I

D

D

K

G

D

D

T

F

M

F

S

S

I

Y

I

T

L

R

H

H

E

E

P

P

I

V

G

G

V

V

V

C

G

G

Q

Q

I

I

I

I

P

P

W

W

N
|
N

F
|
F

P

P

F

L

L

L

M
|
M

A

Q

A

A

W
|
W

K

K

I

L

A

G

P

P

A

A

I

L

A

A

A

T

G

G

N

N

T

V

V

V

V

V

I

M

K
|
K

P

V

S

A

S

E

E

Q

T

T

S

P

L

L

S

T

M

A

L

L

E

Y

F

V

A

A

K

N

I

L

I

I

D

K

K

E

I

A

-

G

L

F

P

P

P

P

G

G

V

V

V

V

N

N

I

I

V

V

T

P

G

G

G

F

G

G

S

P

S

T

T

A

G

G

N

A

Y

A

I

I

L

A

E

S

H

H

E

E

G

D

F

V

S

D

K

K

L

V

A

A

F

F

T

T

G

G

S

S

T

T

D

E

I

I

G

G

Y

R

M

V

I

I

A

Q

D

V

A

A

A

A

-

G

A

S

K

S

K

N

L

L

I

K

P

R

A

V

T

T

L

L

E
|
E

L

L

G

G

G

G

K

K

S

S

A

P

N

N

I

I

Y

I

F

M

P

S

D

D

C

A

P

D

W

M

E

D

K

W

A

A

V

V

E

E

G

Q

A

A

L

H

L

F

G

A

I

L

L

F

F

F

N

N

Q

Q

G

G

Q

Q

V
x
C

C
|
C

C
|
C

A

A

G

G

S

S

R

R

I

T

F

F

V

V

H

Q

E

E

E

D

I

I

Y

Y

D

D

R

E

F

F

L

V

A

E

A

R

I

S

T

V

E

A

K

R

F

A

E

K

S

S

V

R

K

V

V

V

G

G

L

N

P

P

W

F

E

D

E

S

D

K

T

T

M

E

M

Q

G

G

S

P

I

Q

I

V

N

D

E

E

K

T

Q

Q

L

F

N

K

Q

K

V

I

M

L

G

G

C

Y

I

I

E

N

A

T

G

G

K

K

K

Q

E

E

G

G

A

A

K

K

L

L

V

L

T

C

G

G

G

G

T

G

K

I

I

A

T

A

E

D

G

-

E

-

L

-

G

-

K

R

G

G

S

Y

F

F

L

I

K

Q

P

P

T

T

I

V

F

F

A

G

D

D

V

V

D

Q

N

D

S

G

M

M

D

T

I

I

A

A

Q

K

Q

E

E
|
E

I

I

F

F

G

G

P

P

V

V

V

M

C

Q

V

I

I

L

K

K

F

F

K

K

D

T

E

I

D

E

E

E

V

V

I

V

A

G

M

R

A

A

N

N

D

N

S

S

E

T

F

Y

G

G

L

L

G

A

G

A

A

A

V

V

W

F

S

T

K

K

D

D

I

L

N

D

C

K

A

A

M

N

R

Y

V

L

A

S

R

Q

K

A

V

L

E

Q

T

A

G

G

R

T

M

V

W

W

I

V

N

N

T

C

Y

Y

N
x
D

Q

V

L
x
F

P

G

A

A

H

Q

S

S

P

P

F
|
F

G

G

G

G

Y

Y

K

K

K

M

S

S

G

G

I

S

G

G

R

R

E
|
E

T

L

H

G

K

E

M

Y

M

G

L

L

A

Q

H

A

Y

Y

S

T

Q

E

T

V

K

K

N

T

I

V

F

T

I

V

S

K

M

V

D

P

E

Q

K

K

active site: N163 (= N155), K186 (= K178), E262 (= E252), C296 (= C286), E393 (= E387), E470 (= E464)
binding 1-benzyl-1H-indole-2,3-dione: F164 (= F156), M168 (= M160), W171 (= W163), E262 (= E252), C295 (≠ V285), C296 (= C286), C297 (= C287), D451 (≠ N445), F453 (≠ L447), F459 (= F453)

3sz9A Crystal structure of human aldh2 modified with the beta-elimination product of aldi-3; 1-(4-ethylbenzene)prop-2-en-1-one (see paper)
42% identity, 99% coverage: 2:486/491 of query aligns to 7:492/494 of 3sz9A

query
sites
3sz9A

Q

Q

N

Q

P

P

I

E

D

V

Q

F

S

C

Y

N

K

Q

L

I

Y

F

I

I

D

N

G

N

K

E

W

W

I

H

E

D

N

A

K

V

E

S

G

R

K

K

T

T

F

F

K

P

V

T

F

V

C

N

P

P

A

S

N

T

G

G

Q

E

Q

V

L

I

S

C

T

Q

C

V

V

A

N

E

A

G

G

D

K

K

E

E

E

D

V

V

D

D

M

K

A

A

V

V

E

K

A

A

A

A

K

R

K

A

A

A

F

F

E

Q

L

L

-

G

-

S

-

P

W

W

K

R

D

R

I

M

S

D

P

A

Q

S

D

H

R

R

A

G

S

R

Y

L

L

L

L

N

K

R

I

L

A

A

D

D

A

L

I

I

D

E

A

R

E

D

A

R

D

T

K

Y

L

L

A

A

M

A

V

L

E

E

T

T

L

L

D

D

N

N

G

G

K

K

P

P

I

Y

R

V

E

I

T

S

K

Y

N

L

I

V

D

D

I

L

P

D

L

M

A

V

S

L

D

K

H

C

F

L

R

R

Y

Y

F

Y

A

A

S

G

A

W

V

A

R

D

T

K

D

Y

E

H

G

G

S

K

A

T

T

I

M

P

I

I

D

D

K

G

D

D

T

F

M

F

S

S

I

Y

I

T

L

R

H

H

E

E

P

P

I

V

G

G

V

V

V

C

G

G

Q

Q

I

I

I

I

P

P

W

W

N
|
N

F
|
F

P

P

F

L

L

L

M

M

A

Q

A

A

W

W

K

K

I

L

A

G

P

P

A

A

I

L

A

A

A

T

G

G

N

N

T

V

V

V

V

V

I

M

K
|
K

P

V

S

A

S

E

E

Q

T

T

S

P

L

L

S

T

M

A

L

L

E

Y

F

V

A

A

K

N

I

L

I

I

D

K

K

E

I

A

-

G

L

F

P

P

P

P

G

G

V

V

V

V

N

N

I

I

V

V

T

P

G

G

G

F

G

G

S

P

S

T

T

A

G

G

N

A

Y

A

I

I

L

A

E

S

H

H

E

E

G

D

F

V

S

D

K

K

L

V

A

A

F

F

T

T

G

G

S

S

T

T

D

E

I

I

G

G

Y

R

M

V

I

I

A

Q

D

V

A

A

A

A

-

G

A

S

K

S

K

N

L

L

I

K

P

R

A

V

T

T

L

L

E
|
E

L

L

G

G

G

G

K

K

S

S

A

P

N

N

I

I

Y

I

F

M

P

S

D

D

C

A

P

D

W

M

E

D

K

W

A

A

V

V

E

E

G

Q

A

A

L

H

L

F

G

A

I

L

L

F

F

F

N

N

Q

Q

G

G

Q

Q

V
x
C

C
|
C

C

C

A

A

G

G

S

S

R

R

I

T

F

F

V

V

H

Q

E

E

E

D

I

I

Y

Y

D

D

R

E

F

F

L

V

A

E

A

R

I

S

T

V

E

A

K

R

F

A

E

K

S

S

V

R

K

V

V

V

G

G

L

N

P

P

W

F

E

D

E

S

D

K

T

T

M

E

M

Q

G

G

S

P

I

Q

I

V

N

D

E

E

K

T

Q

Q

L

F

N

K

Q

K

V

I

M

L

G

G

C

Y

I

I

E

N

A

T

G

G

K

K

K

Q

E

E

G

G

A

A

K

K

L

L

V

L

T

C

G

G

G

G

T

G

K

I

I

A

T

A

E

D

G

-

E

-

L

-

G

-

K

R

G

G

S

Y

F

F

L

I

K

Q

P

P

T

T

I

V

F

F

A

G

D

D

V

V

D

Q

N

D

S

G

M

M

D

T

I

I

A

A

Q

K

Q

E

E
|
E

I

I

F

F

G

G

P

P

V

V

V

M

C

Q

V

I

I

L

K

K

F

F

K

K

D

T

E

I

D

E

E

E

V

V

I

V

A

G

M

R

A

A

N

N

D

N

S

S

E

T

F

Y

G

G

L

L

G

A

G

A

A

A

V

V

W

F

S

T

K

K

D

D

I

L

N

D

C

K

A

A

M

N

R

Y

V

L

A

S

R

Q

K

A

V

L

E

Q

T

A

G

G

R

T

M

V

W

W

I

V

N

N

T

C

Y

Y

N
x
D

Q

V

L
x
F

P

G

A

A

H

Q

S

S

P

P

F
|
F

G

G

G

G

Y

Y

K

K

K

M

S

S

G

G

I

S

G

G

R

R

E
|
E

T

L

H

G

K

E

M

Y

M

G

L

L

A

Q

H

A

Y

Y

S

T

Q

E

T

V

K

K

N

T

I

V

F

T

I

V

S

K

M

V

D

P

E

Q

K

K

active site: N163 (= N155), K186 (= K178), E262 (= E252), C296 (= C286), E393 (= E387), E470 (= E464)
binding 1-(4-ethylphenyl)propan-1-one: F164 (= F156), C295 (≠ V285), C296 (= C286), D451 (≠ N445), F453 (≠ L447), F459 (= F453)

Query Sequence

>WP_027179882.1 NCBI__GCF_000429985.1:WP_027179882.1
MQNPIDQSYKLYIDGKWIENKEGKTFKVFCPANGQQLSTCVNAGKEEVDMAVEAAKKAFE
LWKDISPQDRASYLLKIADAIDAEADKLAMVETLDNGKPIRETKNIDIPLASDHFRYFAS
AVRTDEGSATMIDKDTMSIILHEPIGVVGQIIPWNFPFLMAAWKIAPAIAAGNTVVIKPS
SETSLSMLEFAKIIDKILPPGVVNIVTGGGSSTGNYILEHEGFSKLAFTGSTDIGYMIAD
AAAKKLIPATLELGGKSANIYFPDCPWEKAVEGALLGILFNQGQVCCAGSRIFVHEEIYD
RFLAAITEKFESVKVGLPWEEDTMMGSIINEKQLNQVMGCIEAGKKEGAKLVTGGTKITE
GELGKGSFLKPTIFADVDNSMDIAQQEIFGPVVCVIKFKDEDEVIAMANDSEFGLGGAVW
SKDINCAMRVARKVETGRMWINTYNQLPAHSPFGGYKKSGIGRETHKMMLAHYSQTKNIF
ISMDEKPFGLY

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