SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_085121241.1 NCBI__GCF_900177295.1:WP_085121241.1 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)

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)
39% identity, 98% coverage: 4:479/484 of query aligns to 26:513/518 of O94788

query
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O94788

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E50 (= E20) to G: in dbSNP:rs34266719
A110 (≠ M77) to V: in dbSNP:rs35365164
Q182 (≠ L149) to K: in DIH4; decreased retinoic acid biosynthetic process
IPW 184:186 (≠ IAA 151:153) binding NAD(+)
KPAE 210:213 (≠ KSAE 177:180) binding NAD(+)
STE 264:266 (≠ STA 231:233) binding NAD(+)
C320 (= C286) active site, Nucleophile
R347 (≠ Q313) to H: in DIH4; decreased expression; dbSNP:rs141245344
V348 (≠ K314) to I: in dbSNP:rs4646626
KQYNK 366:370 (≠ RQLNN 330:334) binding NAD(+)
A383 (= A347) to T: in DIH4; uncertain significance; dbSNP:rs749124508
E417 (= E381) binding NAD(+)
E436 (≠ A400) to K: in dbSNP:rs34744827
S461 (= S425) 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)
39% identity, 98% coverage: 5:479/484 of query aligns to 1:487/492 of 6b5hA

query
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6b5hA

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active site: N161 (= N154), E260 (= E252), C294 (= C286), E468 (= E460)
binding 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide: V112 (≠ G104), G116 (= G108), F162 (≠ T155), W169 (= W162), Q284 (≠ L276), F288 (≠ S280), T295 (≠ A287), N449 (≠ G441), L451 (vs. gap), N452 (≠ E443), F457 (= F448)
binding nicotinamide-adenine-dinucleotide: I157 (= I150), I158 (= I151), W160 (≠ A153), N161 (= N154), K184 (= K177), G217 (= G210), G221 (= G214), F235 (= F228), T236 (= T229), G237 (= G230), S238 (= S231), V241 (= V234), E260 (= E252), L261 (= L253), C294 (= C286), F393 (= F383)

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)
39% identity, 98% coverage: 5:479/484 of query aligns to 1:487/492 of 6b5gA

query
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6b5gA

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P

G

G

V

V

L

I

N

N

V

I

V

L

H

P

G

G

L

Y

G
|
G

A

P

E

T

A

A

G
|
G

Q

A

P

A

L

I

V

A

D

S

H

H

P

I

G

G

V

I

D

D

V

K

L

I

S

A

F
|
F

T
|
T

G
|
G

S
|
S

T

T

A

E

V
|
V

G

G

R

K

R

L

I

I

A

Q

E

E

S

A

C

A

G

G

R

R

-

S

Q

N

L

L

K

K

K

R

L

V

S

T

L

L

E
|
E

L
|
L

G

G

K

K

N

S

P

P

F

N

V

I

C

F

D

A

D

D

A

A

D

D

L

L

D

D

N

Y

A

A

V

V

K

E

W

Q

A

A

C

H

L

Q

S

G

A

V

Y

F

S
x
F

N

N

A

Q

G

G

Q

Q

R
x
C

C
|
C

A
x
T

A

A

G

G

S

S

R

R

F

I

L

F

V

V

F

E

E

E

S

S

V

I

Y

Y

E

E

A

E

F

F

R

V

D

R

K

R

L

S

V

V

E

E

A

R

T

A

R

K

A

R

Q

R

K

V

L

V

G

G

V

S

E

P

E

F

D

D

-

P

-

T

C

T

D

E

L

Q

G

G

P

P

V

Q

I

I

N

D

E

K

R

K

Q

Q

L

Y

N

N

N

K

M

I

L

L

G

E

A

L

I

I

E

Q

R

S

A

G

T

V

G

A

K

E

G

G

A

A

K

K

V

L

L

E

I

C

G

G

R

K

R

G

A

L

G

G

D

R

K

K

G

G

C

F

Y

F

L

I

E

E

P

P

T

T

V

V

V

F

E

S

G

N

A

V

A

T

P

D

D

D

D

M

E

R

I

I

S

A

Q

K

T

E

E
|
E

L

I

F
|
F

G

G

P

P

V

V

A

Q

S

E

L

I

Y

L

R

R

V

F

R

K

D

T

F

M

A

D

Q

E

A

V

L

I

A

E

M

R

A

A

N

N

D

N

H

S

P

D

Y

F

G

G

L

L

T

V

A

A

C

A

I

V

H

F

T

T

R

N

S

D

L

I

D

N

R

K

A

A

L

L

A

T

F

V

S

S

H

S

G

A

V

M

Q

Q

A

A

G

G

A

T

T

V

V

W

V

I

N

N

A

C

G

-

T

-

Y

Y

G
x
N

S

A

-
x
L

E

N

P

A

H

Q

M

S

P

P

F

F

G

G

P

F

K

K

Q

M

S

S

G

G

N

N

G

G

T

-

R

R

E
|
E

P

M

G

G

T

E

E

F

A

G

L

L

D

R

V

E

Y

Y

S

S

E

E

L

V

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K

D

T

I

V

Y

T

L

V

N

K

V

I

active site: N161 (= N154), E260 (= E252), C294 (= C286), E468 (= E460)
binding (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone: F162 (≠ T155), L165 (≠ P158), W169 (= W162), F288 (≠ S280), C293 (≠ R285), C294 (= C286), T295 (≠ A287), N449 (≠ G441), L451 (vs. gap)
binding nicotinamide-adenine-dinucleotide: I157 (= I150), I158 (= I151), P159 (≠ A152), W160 (≠ A153), N161 (= N154), M166 (≠ N159), K184 (= K177), E187 (= E180), G217 (= G210), G221 (= G214), F235 (= F228), T236 (= T229), G237 (= G230), S238 (= S231), V241 (= V234), E260 (= E252), L261 (= L253), C294 (= C286), E391 (= E381), F393 (= F383)

6aljA Aldh1a2 liganded with NAD and compound win18,446 (see paper)
39% identity, 98% coverage: 5:479/484 of query aligns to 1:487/492 of 6aljA

query
sites
6aljA

P

P

S

S

I

P

L

T

P

P

N

N

L

L

-

E

-

I

-

K

-

Y

-

T

-

K

-

I

-

F

I

I

G

N

E

E

E

W

R

Q

P

N

A

S

E

E

S

S

G

G

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R

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V

F

F

A

P

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Y

N

N

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P

H

A

D

T

G

G

S

E

E

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C

Q

E

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V

A

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E

S

A

E

D

A

K

A

A

D

D

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I

S

D

A

K

A

A

V

V

A

Q

A

A

R

R

A

L

A

A

Q

F

P

S

-

L

-

G

-

S

G

V

W

W

A

R

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M

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D

A

A

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S

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E

R

R

G

G

H

R

I

L

L

L

H

D

Q

K

V

L

M

A

N

D

A

L

L

V

E

E

A

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R

D

A

R

D

A

E

V

I

L

A

A

A

T

A

M

V

E

A

S

A

L

E

N

A

G

G

G

K

K

-

P

R

F

L

L

K

Q

D

A

S

F

K

Y

G

V

E

D

V

L

G

Q

G
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G

A

V

I

I

L

K

C

T

G

F

R

R

F

Y

A

A

G

G

E

W

G

A

Q

D

R

K

L

I

F

H

G

G

R

M

T

T

M

I

P

P

S

V

G

D

T

G

P

-

N

D

K

Y

Y

F

N

T

M

F

T

T

V

R

R

H

T

E

P

P

C

I

G

G

V

V

A

C

G

G

L

Q

I
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I

A
x
P

A
x
W

N
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N

T
x
F

P

P

A

L

P
x
L

N
x
M

F

F

A

A

W
|
W

K

K

V

I

F

A

P

P

A

A

L

L

I

C

C

C

G

G

N

N

A

T

V

V

L

I

K
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K

S

P

A

A

E
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E

D

Q

T

T

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P

V

L

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S

A

A

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L

L

Y

M

M

A

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R

A

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C

I

E

K

E

E

A

A

G

G

L

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P

G

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N

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G

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G

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A

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A

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D

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H

P

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G

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I

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F

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G

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S

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A

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V

G

G

R

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R

L

I

I

A

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E

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S

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C

A

G

G

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R

-

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N

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L

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K

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R

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L

L

E
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E

L

L

G

G

K

K

N

S

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P

F

N

V

I

C

F

D

A

D

D

A

A

D

D

L

L

D

D

N

Y

A

A

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K

E

W

Q

A

A

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H

L

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S

G

A

V

Y

F

S

F

N

N

A

Q

G

G

Q

Q

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x
C

C
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C

A

T

A

A

G

G

S

S

R

R

F

I

L

F

V

V

F

E

E

E

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S

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I

Y

Y

E

E

A

E

F

F

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V

E

E

A

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T

A

R

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A

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Q

R

K

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L

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G

G

V

S

E

P

E

F

D

D

-

P

-

T

C

T

D

E

L

Q

G

G

P

P

V

Q

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I

N

D

E

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Q
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Q

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Y

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N

N
x
K

M

I

L

L

G

E

A

L

I

I

E

Q

R

S

A

G

T

V

G

A

K

E

G

G

A

A

K

K

V

L

L

E

I

C

G

G

R

K

R

G

A

L

G

G

D

R

K

K

G

G

C

F

Y

F

L

I

E

E

P

P

T

T

V

V

V

F

E

S

G

N

A

V

A

T

P

D

D

D

D

M

E

R

I

I

S

A

Q

K

T

E

E
|
E

L

I

F
|
F

G

G

P

P

V

V

A

Q

S

E

L

I

Y

L

R

R

V

F

R

K

D

T

F

M

A

D

Q

E

A

V

L

I

A

E

M

R

A

A

N

N

D

N

H

S

P

D

Y

F

G

G

L

L

T

V

A

A

C

A

I

V

H

F

T

T

R

N

S

D

L

I

D

N

R

K

A

A

L

L

A

T

F

V

S

S

H

S

G

A

V

M

Q

Q

A

A

G

G

A

T

T

V

V

W

V

I

N

N

A

C

G

-

T

-

Y

Y

G

N

S

A

-
x
L

E
x
N

P
x
A

H

Q

M

S

P

P

F

F

G

G

P

F

K

K

Q

M

S

S

G

G

N

N

G

G

T

-

R

R

E
|
E

P

M

G

G

T

E

E

F

A

G

L

L

D

R

V

E

Y

Y

S

S

E

E

L

V

K

K

D

T

I

V

Y

T

L

V

N

K

V

I

active site: N161 (= N154), E260 (= E252), C294 (= C286), E468 (= E460)
binding N,N'-(octane-1,8-diyl)bis(2,2-dichloroacetamide): G116 (= G108), F162 (≠ T155), L165 (≠ P158), M166 (≠ N159), W169 (= W162), E260 (= E252), C293 (≠ R285), C294 (= C286), L451 (vs. gap), N452 (≠ E443), A453 (≠ P444)
binding nicotinamide-adenine-dinucleotide: I157 (= I150), I158 (= I151), P159 (≠ A152), W160 (≠ A153), N161 (= N154), K184 (= K177), E187 (= E180), G217 (= G210), G221 (= G214), F235 (= F228), G237 (= G230), S238 (= S231), V241 (= V234), Q341 (= Q331), K344 (≠ N334), E391 (= E381), F393 (= F383)

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)
38% identity, 98% coverage: 4:479/484 of query aligns to 26:513/518 of Q63639

query
sites
Q63639

L

L

P

P

S

S

I

P

L

T

P

P

N

N

L

L

-

E

-

I

-

K

-

Y

-

T

-

K

-

I

-

F

I

I

G

N

E

E

E

W

R

Q

P

N

A

S

E

E

S

S

G

G

R

R

S

V

F

F

A

P

N

V

V

C

N

N

P

P

H

A

D

T

G

G

S

E

E

Q

I

V

C

C

Q

E

V

V

A

Q

R

E

S

A

E

D

A

K

A

V

D

D

V

I

S

D

A

K

A

A

V

V

A

Q

A

A

R

R

A

L

A

A

-

F

-

S

-

L

Q

G

P

S

G

V

W

W

A

R

T

M

P

D

A

A

V

S

Q

E

R

R

G

G

H

R

I

L

L

L

H

D

Q

K

V

L

M

A

N

D

A

L

L

V

E

E

A

R

R

D

A

R

D

A

E

T

I

L

A

A

A

T

A

M

V

E

A

S

A

L

E

N

A

G

G

G

K

K

-

P

R

F

L

L

K

Q

D

A

S

F

K

Y

G

I

E

D

V

L

G

Q

G

G

A

V

I

I

L

K

C

T

G

L

R

R

F

Y

A

A

G

G

E

W

G

A

Q

D

R

K

L

I

F

H

G

G

R

M

T

T

M

I

P

P

S

V

G

D

T

G

P

-

N

D

K

Y

Y

F

N

T

M

F

T

T

V

R

R

H

T

E

P

P

C

I

G

G

V

V

A

C

G

G

L

Q

I

I

I
|
I

A
x
P

A
x
W

N

N

T

F

P

P

A

L

P

L

N

M

F

F

A

T

W

W

K

K

V

I

F

A

P

P

A

A

L

L

I

C

C

C

G

G

N

N

A

T

V

V

L

I

K
|
K

S
x
P

A
|
A

E
|
E

D

Q

T

T

P

P

V

L

S

S

A

A

W

L

L

Y

M

M

A

G

R

A

I

L

C

I

E

K

E

E

A

A

G

G

L

F

P

P

K

P

G

G

V

V

L

V

N

N

V

I

V

L

H

P

G

G

L

Y

G

G

A

P

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T

A

A

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G

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A

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A

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A

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H

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V

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I

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C

A

G

G

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-

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Q

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L

L

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K

K

R

L

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L

L

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E

L

L

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G

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A

D

D

A

A

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E

W

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A

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G

A

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Y

F

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F

N

N

A

Q

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G

Q

Q

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C

C

A

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A

A

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G

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S

R

R

F

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L

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V

F

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E

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E

A

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E

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A

R

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A

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K

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E

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D

D

-

P

-

T

C

T

D

E

L

Q

G

G

P

P

V

Q

I

I

N

D

E

K

R

K

Q

Q

L

Y

N

N

N

K

M

I

L

L

G

E

A

L

I

I

E

Q

R

S

A

G

T

V

G

A

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E

G

G

A

A

K

K

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L

L

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I

C

G

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R

K

R

G

A

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G

G

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K

K

G

G

C

F

Y

F

L

I

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E

P

P

T

T

V

V

V

F

E

S

G

N

A

V

A

T

P

D

D

D

D

M

E

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I

I

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A

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T

E

E

E

L

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F

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G

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A

Q

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I

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L

R

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F

R

K

D

T

F

M

A

D

Q

E

A

V

L

I

A

E

M

R

A

A

N

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D

N

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P

D

Y

F

G

G

L

L

T

V

A

A

C

A

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V

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F

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T

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D

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I

D

N

R

K

A

A

L

L

A

M

F

V

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H

S

G

A

V

M

Q

Q

A

A

G

G

A

T

T

V

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W

V

I

N

N

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C

G

-

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-

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G

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A

-

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A

H

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P

F

F

G

G

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F

K

K

Q

M

S

S

G

G

N

N

G

G

T

-

R

R

E

E

P

M

G

G

T

E

E

F

A

G

L

L

D

R

V

E

Y

Y

S

S

E

E

L

V

K

K

D

T

I

V

Y

T

L

V

N

K

V

I

IPW 184:186 (≠ IAA 151:153) binding NAD(+)
KPAE 210:213 (≠ KSAE 177:180) binding NAD(+)

7radA Crystal structure analysis of aldh1b1
39% identity, 97% coverage: 11:479/484 of query aligns to 16:488/493 of 7radA

query
sites
7radA

L

F

I

I

G

N

E

E

E

W

R

Q

P

D

A

A

E

V

S

S

G

K

R

K

S

T

F

F

A

P

N

T

V

V

N

N

P

P

H

T

D

T

G

G

S

E

E

V

I

I

C

G

Q

H

V

V

A

A

R

E

S

G

E

D

A

R

A

A

D

D

V

V

S

D

A

R

A

A

V

V

A

K

A

A

R

R

A

E

A

A

-

F

-

R

-

L

-

G

Q

S

P

P

G

-

W

W

A

R

T

M

P

D

A

A

V

S

Q

E

R

R

G

G

H

R

I

L

L

L

H

N

Q

R

V

L

M

A

N

D

A

L

L

V

E

E

A

R

R

D

A

R

D

V

E

Y

I

L

A

A

A

S

A

L

V

E

A

T

A

L

E

D

A

N

G

G

K

K

R

P

L

F

K

Q

D

E

S

S

K

Y

G

A

-
x
L

E

D

V

L

G

D

G
x
E

A

V

I

I

L

K

C

V

G

Y

R

R

F

Y

F

F

A

A

G

G

E

W

G

A

Q

D

R

K

L

W

F

H

G

G

R

K

T

T

M

I

P

P

S

M

G

D

T

G

P

Q

N

H

K

-

Y

F

N

C

M

F

T

T

V

R

R

H

T

E

P

P

C

V

G

G

V

V

A

C

G

G

L

Q

I
|
I

A
x
P

A
x
W

N
|
N

T
x
F

P

P

A

L

P

V

N
x
M

F

Q

A

G

W

W

K

K

V

L

F

A

P

P

A

A

L

L

I

A

C

T

G

G

N

N

A

T

V

V

L

M

K
|
K

S

V

A

A

E
|
E

D

Q

T

T

P

P

V

L

S

S

A

A

W

L

L

Y

M

L

A

A

R

S

I

L

C

I

E

K

E

E

A

A

G

G

L

F

P

P

K

P

G

G

V

V

L

V

N

N

V

I

H

T

G

G

L

Y

G
|
G

A

P

E

T

A

A

G
|
G

Q
x
A

P

A

L

I

V

A

D

Q

H

H

P

M

G

D

V

V

D

D

V

K

L

V

S

A

F

F

T
|
T

G
|
G

S
|
S

T

T

A

E

V
|
V

G

G

R

H

R

L

I

I

A

Q

E

K

S

A

C

A

G

G

-

D

R

S

Q

N

L

L

K

K

K

R

L

V

S

T

L

L

E
|
E

L
|
L

G

G

K

K

N

S

P

P

F

S

V

I

V

V

C

L

D

A

D

D

A

A

D

D

L

M

D

E

N

H

A

A

V

V

K

E

W

Q

A

C

C

H

L
x
E

S

A

A

L

Y

F

S
x
F

N

N

A

M

G

G

Q

Q

R

C

C
|
C

A

C

A

A

G

G

S

S

R

R

F

T

L

F

V

V

F

E

E

E

S

S

V

I

Y

Y

E

N

A

E

F

F

R

L

D

E

K

R

L

T

V

V

E

E

A

K

T

A

R

K

A

Q

Q

R

K

K

L

V

G

G

-

N

-

P

V

F

E

E

E

L

D

D

C

T

D

Q

L

Q

G

G

P

P

V

Q

I

V

N

D

E

K

R

E

Q

Q

L

F

N

E

N

R

M

V

L

L

G

G

A

Y

I

I

E

Q

R

L

A

G

T

Q

G

K

K

E

G

G

A

A

K

K

V

L

L

L

I

C

G

G

R

E

R

R

A

F

G

G

D

E

K

R

G

G

C

F

Y

F

L

I

E

K

P

P

T

T

V

V

V

F

E

G

G

G

A

V

A

Q

P

D

D

D

D

M

E

R

I

I

S

A

Q

K

T

E

E
|
E

L

I

F
|
F

G

G

P

P

V

V

A

Q

S

P

L

L

Y

F

R

K

V

F

R

K

D

K

F

I

A

E

Q

E

A

V

L

V

A

E

M

R

A

A

N

N

D

N

H

T

P

R

Y

Y

G

G

L

L

T

A

A

A

C

A

I

V

H

F

T

T

R

R

S

D

L

L

D

D

R

K

A

A

L

M

A

Y

F

F

S

T

H

Q

G

A

V

L

Q

Q

A

A

G

G

A

T

T

V

V

W

V

V

N

N

A

-

G

-

T

T

Y

Y

G
x
N

S

I

E
x
V

P

T

-

C

H

H

M

T

P

P

F

F

G

G

P

F

K

K

Q

E

S

S

G

G

N

N

G

G

T

-

R

R

E

E

P

L

G

G

T

E

E

D

A

G

L

L

D

K

V

A

Y

Y

S

T

E

E

L

V

K

K

D

T

I

V

Y

T

L

I

N

K

V

V

binding nicotinamide-adenine-dinucleotide: I158 (= I150), I159 (= I151), P160 (≠ A152), W161 (≠ A153), N162 (= N154), M167 (≠ N159), K185 (= K177), E188 (= E180), G218 (= G210), G222 (= G214), A223 (≠ Q215), T237 (= T229), G238 (= G230), S239 (= S231), V242 (= V234), E261 (= E252), L262 (= L253), C295 (= C286), E392 (= E381), F394 (= F383)
binding 3-(2-methoxyphenyl)-1-(4-phenylphenyl)-6,7,8,9-tetrahydro-5~{H}-imidazo[1,2-a][1,3]diazepine: L113 (vs. gap), E117 (≠ G108), F163 (≠ T155), E285 (≠ L276), F289 (≠ S280), N450 (≠ G441), V452 (≠ E443)

7mjdA Crystal structure analysis of aldh1b1
39% identity, 97% coverage: 11:479/484 of query aligns to 16:488/493 of 7mjdA

query
sites
7mjdA

L

F

I

I

G

N

E

E

E

W

R

Q

P

D

A

A

E

V

S

S

G

K

R

K

S

T

F

F

A

P

N

T

V

V

N

N

P

P

H

T

D

T

G

G

S

E

E

V

I

I

C

G

Q

H

V

V

A

A

R

E

S

G

E

D

A

R

A

A

D

D

V

V

S

D

A

R

A

A

V

V

A

K

A

A

R

R

A

E

A

A

-

F

-

R

-

L

-

G

Q

S

P

P

G

-

W

W

A

R

T

M

P

D

A

A

V

S

Q

E

R

R

G

G

H

R

I

L

L

L

H

N

Q

R

V

L

M

A

N

D

A

L

L

V

E

E

A

R

R

D

A

R

D

V

E

Y

I

L

A

A

A

S

A

L

V

E

A

T

A

L

E

D

A

N

G

G

K

K

R

P

L

F

K

Q

D

E

S

S

K

Y

G

A

-

L

E

D

V

L

G

D

G
x
E

A

V

I

I

L

K

C

V

G

Y

R

R

F

Y

F

F

A

A

G

G

E

W

G

A

Q

D

R

K

L

W

F

H

G

G

R

K

T

T

M

I

P

P

S

M

G

D

T

G

P

Q

N

H

K

-

Y

F

N

C

M

F

T

T

V

R

R

H

T

E

P

P

C

V

G

G

V

V

A

C

G

G

L

Q

I
|
I

A
x
P

A
x
W

N
|
N

T

F

P

P

A

L

P

V

N
x
M

F

Q

A

G

W

W

K

K

V

L

F

A

P

P

A

A

L

L

I

A

C

T

G

G

N

N

A

T

V

V

L

M

K
|
K

S

V

A

A

E
|
E

D

Q

T

T

P

P

V

L

S

S

A

A

W

L

L

Y

M

L

A

A

R

S

I

L

C

I

E

K

E

E

A

A

G

G

L

F

P

P

K

P

G

G

V

V

L

V

N

N

V

I

H

T

G

G

L

Y

G
|
G

A

P

E

T

A

A

G
|
G

Q

A

P

A

L

I

V

A

D

Q

H

H

P

M

G

D

V

V

D

D

V

K

L

V

S

A

F
|
F

T
|
T

G
|
G

S
|
S

T

T

A

E

V
|
V

G

G

R

H

R

L

I

I

A

Q

E

K

S

A

C

A

G

G

-

D

R

S

Q

N

L

L

K

K

K

R

L

V

S

T

L

L

E
|
E

L
|
L

G

G

K

K

N

S

P

P

F

S

V

I

V

V

C

L

D

A

D

D

A

A

D

D

L

M

D

E

N

H

A

A

V

V

K

E

W

Q

A

C

C

H

L
x
E

S

A

A

L

Y

F

S
x
F

N

N

A

M

G

G

Q

Q

R

C

C
|
C

A

C

A

A

G

G

S

S

R

R

F

T

L

F

V

V

F

E

E

E

S

S

V

I

Y

Y

E

N

A

E

F

F

R

L

D

E

K

R

L

T

V

V

E

E

A

K

T

A

R

K

A

Q

Q

R

K

K

L

V

G

G

-

N

-

P

V

F

E

E

E

L

D

D

C

T

D

Q

L

Q

G

G

P

P

V

Q

I

V

N

D

E

K

R

E

Q

Q

L

F

N

E

N

R

M

V

L

L

G

G

A

Y

I

I

E

Q

R

L

A

G

T

Q

G

K

K

E

G

G

A

A

K

K

V

L

L

L

I

C

G

G

R

E

R

R

A

F

G

G

D

E

K

R

G

G

C

F

Y

F

L

I

E

K

P

P

T

T

V

V

V

F

E

G

G

G

A

V

A

Q

P

D

D

D

D

M

E

R

I

I

S

A

Q

K

T

E

E
|
E

L

I

F
|
F

G

G

P

P

V

V

A

Q

S

P

L

L

Y

F

R

K

V

F

R

K

D

K

F

I

A

E

Q

E

A

V

L

V

A

E

M

R

A

A

N

N

D

N

H

T

P

R

Y

Y

G

G

L

L

T

A

A

A

C

A

I

V

H

F

T

T

R

R

S

D

L

L

D

D

R

K

A

A

L

M

A

Y

F

F

S

T

H

Q

G

A

V

L

Q

Q

A

A

G

G

A

T

T

V

V

W

V

V

N

N

A

-

G

-

T

T

Y

Y

G
x
N

S

I

E
x
V

P

T

-

C

H

H

M

T

P

P

F

F

G

G

P

F

K

K

Q

E

S

S

G

G

N

N

G

G

T

-

R

R

E

E

P

L

G

G

T

E

E

D

A

G

L

L

D

K

V

A

Y

Y

S

T

E

E

L

V

K

K

D

T

I

V

Y

T

L

I

N

K

V

V

binding nicotinamide-adenine-dinucleotide: I158 (= I150), I159 (= I151), P160 (≠ A152), W161 (≠ A153), N162 (= N154), M167 (≠ N159), K185 (= K177), E188 (= E180), G218 (= G210), G222 (= G214), F236 (= F228), T237 (= T229), G238 (= G230), S239 (= S231), V242 (= V234), E261 (= E252), L262 (= L253), C295 (= C286), E392 (= E381), F394 (= F383)
binding 8-(2-methoxyphenyl)-10-(4-phenylphenyl)-1$l^{4},8-diazabicyclo[5.3.0]deca-1(7),9-diene: E117 (≠ G108), E285 (≠ L276), F289 (≠ S280), N450 (≠ G441), V452 (≠ E443)

7mjcA Crystal structure analysis of aldh1b1
39% identity, 97% coverage: 11:479/484 of query aligns to 16:488/493 of 7mjcA

query
sites
7mjcA

L

F

I

I

G

N

E

E

E

W

R

Q

P

D

A

A

E

V

S

S

G

K

R

K

S

T

F

F

A

P

N

T

V

V

N

N

P

P

H

T

D

T

G

G

S

E

E

V

I

I

C

G

Q

H

V

V

A

A

R

E

S

G

E

D

A

R

A

A

D

D

V

V

S

D

A

R

A

A

V

V

A

K

A

A

R

R

A

E

A

A

-

F

-

R

-

L

-

G

Q

S

P

P

G

-

W

W

A

R

T

M

P

D

A

A

V

S

Q

E

R

R

G

G

H

R

I

L

L

L

H

N

Q

R

V

L

M

A

N

D

A

L

L

V

E

E

A

R

R

D

A

R

D

V

E

Y

I

L

A

A

A

S

A

L

V

E

A

T

A

L

E

D

A

N

G

G

K

K

R

P

L

F

K

Q

D

E

S

S

K

Y

G

A

-

L

E

D

V

L

G

D

G

E

A

V

I

I

L

K

C

V

G

Y

R

R

F

Y

F

F

A

A

G

G

E

W

G

A

Q

D

R

K

L

W

F

H

G

G

R

K

T

T

M

I

P

P

S

M

G

D

T

G

P

Q

N

H

K

-

Y

F

N

C

M

F

T

T

V

R

R

H

T

E

P

P

C

V

G

G

V

V

A

C

G

G

L

Q

I
|
I

A
x
P

A
x
W

N
|
N

T

F

P

P

A

L

P

V

N

M

F

Q

A

G

W

W

K

K

V

L

F

A

P

P

A

A

L

L

I

A

C

T

G

G

N

N

A

T

V

V

L

M

K
|
K

S

V

A

A

E
|
E

D

Q

T

T

P

P

V

L

S

S

A

A

W

L

L

Y

M

L

A

A

R

S

I

L

C

I

E

K

E

E

A

A

G

G

L

F

P

P

K

P

G

G

V

V

L

V

N

N

V

I

H

T

G

G

L

Y

G
|
G

A

P

E

T

A

A

G
|
G

Q

A

P

A

L

I

V

A

D

Q

H

H

P

M

G

D

V

V

D

D

V

K

L

V

S

A

F

F

T
|
T

G
|
G

S
|
S

T

T

A

E

V
|
V

G

G

R

H

R

L

I

I

A

Q

E

K

S

A

C

A

G

G

-

D

R

S

Q

N

L

L

K

K

K

R

L

V

S

T

L

L

E
|
E

L
|
L

G

G

K

K

N

S

P

P

F

S

V

I

V

V

C

L

D

A

D

D

A

A

D

D

L

M

D

E

N

H

A

A

V

V

K

E

W

Q

A

C

C

H

L

E

S

A

A

L

Y

F

S

F

N

N

A

M

G

G

Q

Q

R

C

C
|
C

A

C

A

A

G

G

S

S

R

R

F

T

L

F

V

V

F

E

E

E

S

S

V

I

Y

Y

E

N

A

E

F

F

R

L

D

E

K

R

L

T

V

V

E

E

A

K

T

A

R

K

A

Q

Q

R

K

K

L

V

G

G

-

N

-

P

V

F

E

E

E

L

D

D

C

T

D

Q

L

Q

G

G

P

P

V

Q

I

V

N

D

E

K

R

E

Q

Q

L

F

N

E

N

R

M

V

L

L

G

G

A

Y

I

I

E

Q

R

L

A

G

T

Q

G

K

K

E

G

G

A

A

K

K

V

L

L

L

I

C

G

G

R

E

R

R

A

F

G

G

D

E

K

R

G

G

C

F

Y

F

L

I

E

K

P

P

T

T

V

V

V

F

E

G

G

G

A

V

A

Q

P

D

D

D

D

M

E

R

I

I

S

A

Q

K

T

E

E
|
E

L

I

F
|
F

G

G

P

P

V

V

A

Q

S

P

L

L

Y

F

R

K

V

F

R

K

D

K

F

I

A

E

Q

E

A

V

L

V

A

E

M

R

A

A

N

N

D

N

H

T

P

R

Y

Y

G

G

L

L

T

A

A

A

C

A

I

V

H

F

T

T

R

R

S

D

L

L

D

D

R

K

A

A

L

M

A

Y

F

F

S

T

H

Q

G

A

V

L

Q

Q

A

A

G

G

A

T

T

V

V

W

V

V

N

N

A

-

G

-

T

T

Y

Y

G

N

S

I

E

V

P

T

-

C

H

H

M

T

P

P

F

F

G

G

P

F

K

K

Q

E

S

S

G

G

N

N

G

G

T

-

R

R

E

E

P

L

G

G

T

E

E

D

A

G

L

L

D

K

V

A

Y

Y

S

T

E

E

L

V

K

K

D

T

I

V

Y

T

L

I

N

K

V

V

binding nicotinamide-adenine-dinucleotide: I158 (= I150), I159 (= I151), P160 (≠ A152), W161 (≠ A153), N162 (= N154), K185 (= K177), E188 (= E180), G218 (= G210), G222 (= G214), T237 (= T229), G238 (= G230), S239 (= S231), V242 (= V234), E261 (= E252), L262 (= L253), C295 (= C286), E392 (= E381), F394 (= F383)

6fkuA Structure and function of aldehyde dehydrogenase from thermus thermophilus: an enzyme with an evolutionarily-distinct c-terminal arm (recombinant protein with shortened c-terminal, in complex with NADP) (see paper)
40% identity, 95% coverage: 10:470/484 of query aligns to 16:493/511 of 6fkuA

query
sites
6fkuA

N

H

L

L

I

V

G

G

E

E

R

-

P

-

A

V

E

L

S

E

G

G

R

P

S

L

F

L

A

E

N

R

V

R

N

N

P

P

H

S

D

D

G

R

S

E

E

D

I

V

C

-

Q

-

V

V

A

A

R

R

S

F

E

P

A

E

A

A

D

D

-

K

-

D

-

L

V

V

S

R

A

K

A

A

V

A

A

L

A

K

A

A

R

R

A

E

A

A

Q

F

P

A

G

E

W

W

A

S

A

R

T

T

P

P

A

A

V

P

Q

I

R

R

G

G

H

Q

I

V

L

L

H

F

Q

N

V

L

M

V

N

K

A

I

L

L

E

E

A

R

R

E

A

K

D

P

E

T

I

L

A

T

A

R

A

L

V

M

A

V

A

R

E

E

A

V

G

G

K

K

R

T

L

P

K

K

D

E

S

A

K

A

G

G

E

D

V

V

G

Q

G

E

A

A

I

I

L

D

C

T

G

A

R

L

F

F

A

A

G

S

E

E

G

G

Q

R

R

R

L

L

F

Y

G

G

R

Q

T

T

M

V

P

P

S

S

G

E

T

M

P

R

N

D

K

K

Y

E

N

L

M

F

T

T

V

F

R

R

T

R

P

P

C

L

G

G

V

V

A

V

G

G

L

I

I
|
I

I
x
T

A

A

A

G

N
|
N

T

F

P

P

A

I

P

A

N

V

F

P

A

S

W

W

K

K

V

L

F

I

P

P

A

A

L

V

I

L

C

T

G

G

N

N

A

T

V

V

L

W

K
|
K

S

P

A
x
S

E
|
E

D

D

T

A

P

P

V

T

S

L

A

S

W

F

L

V

M

F

A

A

R

K

I

L

C

F

E

E

A

A

G

G

L

L

P

P

K

P

G

G

V

V

L

L

N

N

V

V

H

F

G

G

L
x
G

G
|
G

-
x
K

A

G

E

S

A

T

G
|
G

Q
|
Q

-

W

-

M

-

V

P

E

L

L

V

M

D

D

H

E

P

G

G

L

V

F

D

Q

V

K

L

F

S

A

F
|
F

T
|
T

G
|
G

S
|
S

T

T

A

Q

V
|
V

G

G

R

R

R

W

I

I

A

G

E

E

S

V

C

A

G

G

R

R

Q

N

L

L

K

I

K

R

L

P

S

T

L

L

E
|
E

L
|
L

G

G

K

K

N

N

P

P

F

L

V

V

C

M

D

R

D

D

A

A

D

D

L

L

D

D

N

L

A

A

V

V

K

E

W

G

A

A

C

W

L

W

S

S

A

A

Y

F

S

A

N

T

A

G

G

G

Q

Q

R

R

C
|
C

A

T

A

S

G

A

S

G

R

N

F

I

L

L

V

V

F

D

E

A

S

P

V

I

Y

Y

E

E

A

E

F

F

R

K

D

R

K

R

L

F

V

L

E

E

A

R

T

V

R

E

A

A

Q

T

K

L

L

V

G

G

-

N

-

P

-

L

V

L

E

H

E

P

D

E

C

V

D

T

L

Y

G

G

P

P

V

F

I

I

N

N

E

E

R
|
R

Q
x
F

L

F

N

A

N

R

M

W

L

Q

G

E

A

H

I

Y

E

R

R

V

A

G

T

E

G

A

K

E

G

G

A

A

K

R

V

L

L

L

I

F

G

G

G

R

-

G

-

R

-

I

-

T

-

R

-

E

-

N

-

P

-

Y

-

P

R

R

R

F

A

L

G

G

D

D

-

P

-

E

K

A

G

G

C

L

Y

Y

L

G

E

W

P

P

T

T

V

V

V

W

E

E

G

-

A

V

A

R

P

P

D

G

D

T

E

R

I

L

S

F

Q

T

T

E

E
|
E

L

V

F
|
F

G

G

P

P

V

T

A

I

S

N

L

L

Y

V

R

K

V

V

R

D

D

G

F

I

A

E

Q

E

A

A

L

I

A

A

M

V

A

A

N

N

D

S

H

T

P

P

Y

Y

G

G

L

L

T

S

A

S

C

A

I

I

H

Y

T

T

R

N

S

H

L

R

D

H

R

W

A

A

L

Y

A

L

F

F

S

K

H

V

G

G

V

I

Q

R

A

A

G

G

A

M

T

T

V

S

V

I

N

N

A

N

G

A

T

T

Y

V

G

G

S

A

E

E

P

A

H

H

M

L

P

P

F

F

G

G

P

V

K

K

Q

A

S

S

G

G

N

N

G

G

T

G

R

R

E
|
E

P

S

G

G

T

I

E

W

A

V

L

L

D

E

V

E

Y

Y

S

T

active site: N159 (= N154), E261 (= E252), C295 (= C286), E483 (= E460)
binding nadp nicotinamide-adenine-dinucleotide phosphate: I155 (= I150), T156 (≠ I151), N159 (= N154), K182 (= K177), S184 (≠ A179), E185 (= E180), G214 (≠ L209), G215 (= G210), K216 (vs. gap), G220 (= G214), Q221 (= Q215), F237 (= F228), T238 (= T229), G239 (= G230), S240 (= S231), V243 (= V234), E261 (= E252), L262 (= L253), C295 (= C286), R342 (= R330), F343 (≠ Q331), E404 (= E381), F406 (= F383)

4o6rA Crystal structure of a putative aldehyde dehydrogenase from burkholderia cenocepacia
39% identity, 94% coverage: 28:480/484 of query aligns to 24:480/489 of 4o6rA

query
sites
4o6rA

V

L

N

N

P

P

H

H

D

D

G

G

S

S

E

V

I

I

C

T

Q

K

V

I

A

A

R

A

S

A

E

T

A

A

D

D

V

V

S

D

A

L

A

A

V

V

A

D

A

A

R

T

A

R

A

A

Q

F

P

P

G

A

W

W

A

S

A

A

T

M

P

P

A

A

V

A

Q

E

R

R

G

G

H

R

I

L

L

L

H

L

Q

R

V

L

M

A

N

D

A

A

L

I

E

E

A

A

R

N

A

T

D

E

E

A

I

L

A

A

A

Q

A

L

V

E

A

S

A

L

E

D

A

T

G

G

K

H

R

P

L

I

K

R

D

D

S

S

K

R

G

A

-

L

E

D

V

V

G

P

G

R

A

T

I

A

L

A

C

C

G

F

R

R

F

Y

F

F

A

G

G

G

E

M

G

A

Q

D

R

K

L

L

F

Q

G

G

R

S

T

V

M

I

P

P

S

V

G

D

T

T

P

-

N

G

K

F

Y

L

N

N

M

Y

T

V

V

Q

R

R

T

A

P

P

C

I

G

G

V

V

A

V

G

G

L

Q

I
|
I

I
x
V

A

P

A

W

N
|
N

T

F

P

P

A

L

P

M

N

F

F

T

A

S

W

W

K

K

V

M

F

G

P

P

A

A

L

L

I

A

C

A

G

G

N

N

A

T

V

V

L

L

K
|
K

S

P

A

S

E

E

D

I

T

T

P

P

V

L

S

S

A

T

W

L

L

R

M

I

A

V

R

E

I

L

C

M

E

A

E

E

A

V

G

G

L

F

P

P

K

A

G

G

V

V

L

V

N

N

V

I

V

V

H

P

G

G

L

Y

G
|
G

A

H

E

T

A

A

G
|
G

Q
|
Q

P

R

L

L

V

A

D

E

H

H

P

P

G

G

V

V

D

G

V

K

L

I

S

A

F
|
F

T

T

G
|
G

S
|
S

T

T

A

A

V
x
T

G

G

R

R

R
|
R

I

I

A

V

E

E

S

A

C

S

G

Q

R

G

Q

N

L

L

K

K

K

R

L

V

S

Q

L

L

E
|
E

L

L

G

G

K

K

N

G

P

A

F

N

V

I

V

V

C

F

D

D

A

A

D

N

L

L

D

D

N

A

A

A

V

I

K

N

W

G

A

A

C

A

L

W

S

A

A

I

Y

F

S

H

N

N

A

Q

G

G

Q

Q

R

A

C
|
C

A

I

A

A

G

G

S

S

R

R

F

L

L

V

V

L

F

H

E

E

S

R

V

I

Y

A

E

D

A

A

F

F

R

L

D

E

K

R

L

F

V

V

E

A

A

L

T

A

R

S

A

S

Q

I

K

R

L

I

G

G

-

N

-

P

V

L

E

D

E

P

D

N

C

T

D

E

L

M

G

G

P

P

V

L

I

T

N

S

E

K

R

Q

Q

H

L

L

N

D

N

R

M

V

L

L

G

S

A

Y

I

V

E

D

R

V

A

A

T

R

G

E

K

Q

G

G

A

G

K

R

V

V

L

L

I

T

G

G

R

S

R

A

A

P

G

Q

D

D

-

P

-

A

-

L

-

A

K

N

G

G

C

Y

Y

Y

L

V

E

R

P

P

T

T

V

I

V

V

E

E

G

A

A

K

A

H

P

A

D

T

D

D

E

R

I

V

S

A

Q

Q

T

E

E
|
E

L

V

F

F

G

G

P

P

V

F

A

V

S

T

L

V

Y

L

R

R

V

F

R

G

D

S

F

D

A

D

Q

E

A

A

L

L

A

A

M

I

A

A

N

N

D

A

H

T

P

E

Y

Y

G

G

L

L

T

G

A

S

C

G

I

L

H

W

T

T

R

N

S

D

L

L

D

S

R

R

A

A

L

H

A

R

F

M

S

A

H

A

G

R

V

I

Q

D

A

A

G

G

A

M

T

C

V

W

V

I

N

N

A

C

G

Y

T

K

Y

R

G

-

S

V

E

N

P

P

H

G

M

S

P

P

F

F

G

G

P

V

K

G

Q

K

S

S

G

G

N

Y

G

G

T

-

R

R

E
|
E

P

M

G

G

T

F

E

E

A

A

L

M

D

H

V

D

Y

Y

S

T

E

E

L

A

K

R

D

S

I

V

Y

W

L

V

N

N

V

V

D

D

active site: N150 (= N154), K173 (= K177), E248 (= E252), C282 (= C286), E383 (= E381), E460 (= E460)
binding adenosine monophosphate: I146 (= I150), V147 (≠ I151), K173 (= K177), G206 (= G210), G210 (= G214), Q211 (= Q215), F224 (= F228), G226 (= G230), S227 (= S231), T230 (≠ V234), R233 (= R237)

8rwkA Cryoem structure of the central ald4 filament determined by filamentid (see paper)
37% identity, 99% coverage: 4:480/484 of query aligns to 7:494/495 of 8rwkA

query
sites
8rwkA

L

V

P

P

S

I

I

K

L

L

P

P

N

N

-

G

-

L

-

E

-

Y

-

E

-

Q

-

P

-

T

-

G

-

L

L

F

I

I

G

N

E

K

E

F

R

V

P

P

A

S

E

K

S

Q

G

N

R

K

S

T

F

F

A

E

N

V

V

I

N

N

P

P

H

S

D

T

G

E

S

E

E

E

I

I

C

C

Q

H

V

I

A

Y

R

E

S

G

E

R

A

E

A

D

D

D

V

V

S

E

A

E

A

A

V

V

A

Q

A

A

-

D

R

R

A

A

A

F

Q

S

P

N

G

G

-

S

W

W

A

N

A

G

T

I

P

D

A

P

V

I

Q

D

R

R

G

G

H

K

I

A

L

L

H

Y

Q

R

V

L

M

A

N

E

A

L

L

I

E

E

A

Q

R

D

A

K

D

D

E

V

I

I

A

A

A

S

A

I

V

E

A

T

A

L

E

D

A

N

G

G

K

K

R

A

L

I

K

S

D

S

S

S

K

R

G

G

E

D

V

V

G

D

G

L

A

V

I

I

L

N

C

Y

G

L

R

K

F

S

A

A

G

G

E

F

G

A

Q

D

R

K

L

I

F

D

G

G

R

R

T

M

M

I

P

D

S

T

G

G

T

R

P

T

N

H

K

-

Y

F

N

S

M

Y

T

T

V

K

R

R

T

Q

P

P

C

L

G

G

V

V

A

C

G

G

L

Q

I

I

A

P

A

W

N
|
N

T

F

P

P

A

L

P

L

N

M

F

W

A

A

W

W

K

K

V

I

F

A

P

P

A

A

L

L

I

V

C

T

G

G

N

N

A

T

V

V

L

L

K

K

S

T

A

A

E
|
E

D

S

T

T

P

P

V

L

S

S

A

A

W

L

L

Y

M

V

A

S

R

K

I

Y

C

I

E

P

E

Q

A

A

G

G

L

I

P

P

K

P

G

G

V

V

L

I

N

N

V

I

V

V

H

S

G

G

L

F

G
|
G

A

K

E

I

A

V

G
|
G

Q

E

P

A

L

I

V

T

D

N

H

H

P

P

G

K

V

I

D

K

V

K

L

V

S

A

F
|
F

T

T

G

G

S
|
S

T

T

A

A

V
x
T

G

G

R

R

R

H

I

I

A

Y

E

Q

S

S

C

A

G

A

R

A

Q

G

L

L

K

K

L

V

S

T

L

L

E

E

L

L

G

G

K

K

N

S

P

P

F

N

V

I

V

V

C

F

D

A

D

D

A

A

D

E

L

L

D

K

N

K

A

A

V

V

K

Q

W

N

A

I

C

I

L

L

S

G

A

I

Y

Y

S

Y

N

N

A

S

G

G

Q

E

R

V

C
|
C

A

C

A

A

G

G

S

S

R

R

F

V

L

Y

V

V

F

E

E

E

S

S

V

I

Y

Y

E

D

A

K

F

F

R

I

D

E

K

E

L

F

V

K

E

A

A

A

T

S

R

E

A

S

Q

I

K

K

L

V

G

G

-

D

-

P

V

F

E

D

E

E

D

S

C

T

D

F

L

Q

G

G

P

A

V

Q

I

T

N

S

E

Q

R

M

Q

Q

L

L

N

N

N

K

M

I

L

L

G

K

A

Y

I

V

E

D

R

I

A

G

T

K

G

N

K

E

G

G

A

A

K

T

V

L

L

I

I

T

G

G

R

E

R

R

A

L

G

G

D

S

K

K

G

G

C

Y

Y

F

L

I

E

K

P

P

T

T

V

V

V

F

E

G

G

D

A

V

A

K

P

E

D

D

D

M

E

R

I

I

S

V

Q

K

T

E

E
|
E

L

I

F

F

G

G

P

P

V

V

A

V

S

T

L

V

Y

T

R

K

V

F

R

K

D

S

F

A

A

D

Q

E

A

V

L

I

A

N

M

M

A

A

N

N

D

D

H

S

P

E

Y

Y

G

G

L

L

T

A

A

A

C

G

I

I

H

H

T

T

R

S

S

N

L

I

D

N

R

T

A

A

L

L

A

K

F

V

S

A

H

D

G

R

V

V

Q

N

A

A

G

G

A

T

T

V

V

W

V

I

N

N

A

-

G

-

T

T

Y

Y

G

N

S

D

E

F

P

H

H

H

-

A

M

V

P

P

F

F

G

G

P

F

K

N

Q

A

S

S

G

G

N

L

G

G

T

-

R

R

E

E

P

M

G

S

T

V

E

D

A

A

L

L

D

Q

V

N

Y

Y

S

L

E

Q

L

V

K

K

D

A

I

V

Y

R

L

A

N

K

V

L

D

D

binding nadp nicotinamide-adenine-dinucleotide phosphate: N168 (= N154), E194 (= E180), G224 (= G210), G228 (= G214), F242 (= F228), S245 (= S231), T248 (≠ V234), C300 (= C286), E397 (= E381)

7a6qB Crystal structure of human aldehyde dehydrogenase 1a3 in complex with selective nr6 inhibitor compound (see paper)
38% identity, 97% coverage: 11:479/484 of query aligns to 17:489/489 of 7a6qB

query
sites
7a6qB

L

F

I

I

G

N

E

E

E

W

R

H

P

E

A

S

E

K

S

S

G

G

R

K

S

K

F

F

A
|
A

N
x
T

V
x
C

N

N

P
|
P

H

S

D

T

G

R

S

E

E

Q

I

I

C

C

Q

E

V

V

A

E

R

E

S

G

E

D

A

K

A

P

D

D

V

V

S

D

A

K

A

A

V

V

A

E

A

A

R

Q

A

V

A

A

-

F

Q

Q

P

R

G

G

-

S

-

P

W

W

A

R

T

L

P

D

A

A

V

L

Q

S

R

R

G

G

H

R

I

L

L

L

H

H

Q

Q

V

L

M

A

N

D

A

L

L

V

E

E

A

R

R

D

A

R

D

A

E

T

I

L

A

A

A

L

V

E

A

T

A

M

E
x
D

A

T

G

G

K

K

-

P

R

F

L

L

K

H

D

A

S

F

K

F

G

I

E

D

V

L

G

E

G
|
G

A

C

I

I

L

R

C

T

G

L

R

R

F

Y

F

F

A

A

G

G

E

W

G

A

Q

D

R

K

L

I

F

Q

G

G

R

K

T

T

M

I

P

P

S

T

G
x
D

T

D

P

-

N
|
N

K

V

Y

V

N

C

M

F

T

T

V

R

R

H

T

E

P

P

C

I

G

G

V

V

A

C

G

G

L

A

I
|
I

I

T

A

P

A
x
W

N
|
N

T

F

P

P

A

L

P

L

N

M

F

L

A

V

W

W

K

K

V

L

F

A

P

P

A

A

L

L

I

C

C

C

G

G

N

N

A

T

V

M

V

V

L

L

K
|
K

S

P

A

A

E
|
E

D
x
Q

T

T

P

P

V

L

S

T

A

A

W

L

L

Y

M

L

A

G

R

S

I

L

C

I

E

K

E

E

A

A

G

G

L

F

P

P

K

P

G

G

V

V

L

V

N

N

V

I

V

V

H

P

G

G

L
x
F

G
|
G

A

P

E

T

A

V

G
|
G

Q

A

P

A

L

I

V

S

D

S

H

H

P

P

G

Q

V

I

D

N

V

K

L

I

S

A

F

F

T

T

G

G

S
|
S

T

T

A

E

V
|
V

G

G

R

K

R

L

I

V

A

K

E

E

S

A

C

A

G

S

R

R

-

S

Q

N

L

L

K

K

K

R

L

V

S

T

L

L

E
|
E

L

L

G

G

K

K

N

N

P

P

F

C

V

I

V

V

C

C

D

A

D

D

A

A

D

D

L

L

D

D

N

L

A

A

V

V

K

E

W

C

A

A

C

H

L

Q

S

G

A

V

Y

F

S

F

N

N

A

Q

G

G

Q

Q

R

C

C
|
C

A

T

A

A

G

A

S

S

R

R

F

V

L

F

V

V

F

E

E

E

S

Q

V

V

Y

Y

E

S

A

E

F

F

R

V

D

R

K

R

L

S

V

V

E

E

A

Y

T

A

R

K

A

K

Q

R

K

P

L

V

G

G

V

D

E

P

E

F

D

D

C

V

-

K

-

T

D

E

L

Q

G

G

P

P

V

Q

I
|
I

N
x
D

E

Q

R
x
K

Q

Q

L

F

N

D

N

K

M

I

L

L

G

E

A

L

I

I

E

E

R

S

A

G

T

K

G

K

K

E

G

G

A

A

K

K

V

L

L

E

I

C

G

G

R

S

R

A

A

M

G

E

D

D

K

K

G

G

C

L

Y

F

L

I

E

K

P

P

T

T

V

V

V

F

E

S

G

E

A

V

A

T

P

D

D

N

D

M

E

R

I

I

S

A

Q

K

T

E

E

E

L

I

F

F

G

G

P

P

V

V

A

Q

S

P

L

I

Y

L

R

K

V

F

R

K

D

S

F

I

A

E

Q

E

A

V

L

I

A

K

M

R

A

A

N

N

D

S

H

T

P

D

Y

Y

G

G

L

L

T

T

A

A

C

A

I

V

H

F

T

T

R

K

S

N

L

L

D

D

R

K

A

A

L

L

A

K

F

L

S

A

H

S

G

A

V

L

Q

E

A

S

G

G

A

T

T

V

V

W

V

I

N

N

A

C

G

Y

T
x
N

Y

-

G

A

S
x
L

E

Y

P
x
A

H

Q

M

A

P

P

F

F

G

G

P

F

K

K

Q

M

S

S

G

G

N

N

G

G

T

-

R

R

E
|
E

P

L

G

G

T

E

E

Y

A

A

L

L

D

A

V

E

Y

Y

S

T

E

E

L

V

K

K

D

T

I

V

Y

T

L

I

N

K

V

L

active site: N163 (= N154), E262 (= E252), C296 (= C286), E470 (= E460)
binding nicotinamide-adenine-dinucleotide: I159 (= I150), W162 (≠ A153), K186 (= K177), E189 (= E180), G219 (= G210), G223 (= G214), S240 (= S231), V243 (= V234), K342 (≠ R330)
binding (3-oxidanylidene-3-sodiooxy-propanoyl)oxysodium: A32 (= A26), T33 (≠ N27), C34 (≠ V28), P36 (= P30), D103 (≠ E94), E189 (= E180), Q190 (≠ D181), F218 (≠ L209), I339 (= I327), D340 (≠ N328)
binding 3-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzenecarbonitrile: G118 (= G108), D141 (≠ G131), N143 (= N134), N451 (≠ T439), L453 (≠ S442), A455 (≠ P444)

7a6qA Crystal structure of human aldehyde dehydrogenase 1a3 in complex with selective nr6 inhibitor compound (see paper)
38% identity, 97% coverage: 11:479/484 of query aligns to 17:489/489 of 7a6qA

query
sites
7a6qA

L

F

I

I

G

N

E

E

E

W

R

H

P

E

A

S

E

K

S

S

G

G

R

K

S

K

F

F

A

A

N

T

V

C

N

N

P

P

H

S

D

T

G

R

S

E

E

Q

I

I

C

C

Q

E

V

V

A

E

R

E

S

G

E

D

A

K

A

P

D

D

V

V

S

D

A

K

A

A

V

V

A

E

A

A

R

Q

A

V

A

A

-

F

Q

Q

P

R

G

G

-

S

-

P

W

W

A

R

T

L

P

D

A

A

V

L

Q

S

R

R

G

G

H

R

I

L

L

L

H

H

Q

Q

V

L

M

A

N

D

A

L

L

V

E

E

A

R

R

D

A

R

D

A

E

T

I

L

A

A

A

L

V

E

A

T

A

M

E

D

A

T

G

G

K

K

-

P

R

F

L

L

K

H

D

A

S

F

K

F

G

I

E

D

V

L

G

E

G
|
G

A

C

I

I

L

R

C

T

G

L

R

R

F

Y

F

F

A

A

G

G

E

W

G

A

Q

D

R

K

L

I

F

Q

G

G

R

K

T

T

M

I

P

P

S

T

G
x
D

T

D

P

-

N
|
N

K

V

Y

V

N

C

M

F

T

T

V

R

R

H

T

E

P

P

C

I

G

G

V

V

A

C

G

G

L

A

I
|
I

I
x
T

A

P

A
x
W

N
|
N

T

F

P

P

A

L

P

L

N

M

F

L

A

V

W

W

K

K

V

L

F

A

P

P

A

A

L

L

I

C

C

C

G

G

N

N

A

T

V

M

V

V

L

L

K
|
K

S

P

A
|
A

E
|
E

D

Q

T

T

P

P

V

L

S

T

A

A

W

L

L

Y

M

L

A

G

R

S

I

L

C

I

E

K

E

E

A

A

G

G

L

F

P

P

K

P

G

G

V

V

L

V

N

N

V

I

V

V

H

P

G

G

L

F

G
|
G

A

P

E

T

A

V

G
|
G

Q

A

P

A

L

I

V

S

D

S

H

H

P

P

G

Q

V

I

D

N

V

K

L

I

S

A

F

F

T

T

G

G

S
|
S

T

T

A

E

V
|
V

G

G

R

K

R

L

I

V

A

K

E

E

S

A

C

A

G

S

R

R

-

S

Q

N

L

L

K

K

K

R

L

V

S

T

L

L

E
|
E

L

L

G

G

K

K

N

N

P

P

F

C

V

I

V

V

C

C

D

A

D

D

A

A

D

D

L

L

D

D

N

L

A

A

V

V

K

E

W

C

A

A

C

H

L

Q

S

G

A

V

Y

F

S

F

N

N

A

Q

G

G

Q

Q

R

C

C
|
C

A

T

A

A

G

A

S

S

R

R

F

V

L

F

V

V

F

E

E

E

S

Q

V

V

Y

Y

E

S

A

E

F

F

R

V

D

R

K

R

L

S

V

V

E

E

A

Y

T

A

R

K

A

K

Q

R

K

P

L

V

G

G

V

D

E

P

E

F

D

D

C

V

-

K

-

T

D

E

L

Q

G

G

P

P

V

Q

I

I

N

D

E

Q

R
x
K

Q

Q

L

F

N

D

N
x
K

M

I

L

L

G

E

A

L

I

I

E

E

R

S

A

G

T

K

G

K

K

E

G

G

A

A

K

K

V

L

L

E

I

C

G

G

R

S

R

A

A

M

G

E

D

D

K

K

G

G

C

L

Y

F

L

I

E

K

P

P

T

T

V

V

V

F

E

S

G

E

A

V

A

T

P

D

D

N

D

M

E

R

I

I

S

A

Q

K

T

E

E

E

L

I

F

F

G

G

P

P

V

V

A

Q

S

P

L

I

Y

L

R

K

V

F

R

K

D

S

F

I

A

E

Q

E

A

V

L

I

A

K

M

R

A

A

N

N

D

S

H

T

P

D

Y

Y

G

G

L

L

T

T

A

A

C

A

I

V

H

F

T

T

R

K

S

N

L

L

D

D

R

K

A

A

L

L

A

K

F

L

S

A

H

S

G

A

V

L

Q

E

A

S

G

G

A

T

T

V

V

W

V

I

N

N

A

C

G

Y

T
x
N

Y

-

G

A

S
x
L

E
x
Y

P

A

H

Q

M

A

P

P

F

F

G

G

P

F

K

K

Q

M

S

S

G

G

N

N

G

G

T

-

R

R

E
|
E

P

L

G

G

T

E

E

Y

A

A

L

L

D

A

V

E

Y

Y

S

T

E

E

L

V

K

K

D

T

I

V

Y

T

L

I

N

K

V

L

active site: N163 (= N154), E262 (= E252), C296 (= C286), E470 (= E460)
binding nicotinamide-adenine-dinucleotide: I159 (= I150), T160 (≠ I151), W162 (≠ A153), K186 (= K177), A188 (= A179), E189 (= E180), G219 (= G210), G223 (= G214), S240 (= S231), V243 (= V234), K342 (≠ R330), K346 (≠ N334)
binding 3-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzenecarbonitrile: G118 (= G108), D141 (≠ G131), N143 (= N134), N451 (≠ T439), L453 (≠ S442), Y454 (≠ E443)

5fhzA Human aldehyde dehydrogenase 1a3 complexed with NAD(+) and retinoic acid (see paper)
38% identity, 97% coverage: 11:479/484 of query aligns to 17:489/489 of 5fhzA

query
sites
5fhzA

L

F

I

I

G

N

E

E

E

W

R

H

P

E

A

S

E

K

S

S

G

G

R

K

S

K

F

F

A

A

N

T

V

C

N

N

P

P

H

S

D

T

G

R

S

E

E

Q

I

I

C

C

Q

E

V

V

A

E

R

E

S

G

E

D

A

K

A

P

D

D

V

V

S

D

A

K

A

A

V

V

A

E

A

A

R

Q

A

V

A

A

-

F

Q

Q

P

R

G

G

-

S

-

P

W

W

A

R

T

L

P

D

A

A

V

L

Q

S

R

R

G

G

H

R

I

L

L

L

H

H

Q

Q

V

L

M

A

N

D

A

L

L

V

E

E

A

R

R

D

A

R

D

A

E

T

I

L

A

A

A

L

V

E

A

T

A

M

E

D

A

T

G

G

K

K

-

P

R

F

L

L

K

H

D

A

S

F

K

F

G

I

E

D

V

L

G

E

G
|
G

A

C

I

I

L
x
R

C

T

G

L

R

R

F

Y

F

F

A

A

G

G

E

W

G

A

Q

D

R

K

L

I

F

Q

G

G

R

K

T

T

M

I

P

P

S

T

G

D

T

D

P

-

N

N

K

V

Y

V

N

C

M

F

T

T

V

R

R

H

T

E

P

P

C

I

G

G

V

V

A

C

G

G

L

A

I
|
I

I
x
T

A

P

A
x
W

N
|
N

T
x
F

P

P

A

L

P

L

N
x
M

F

L

A

V

W
|
W

K

K

V

L

F

A

P

P

A

A

L

L

I

C

C

C

G

G

N

N

A

T

V

M

V

V

L

L

K
|
K

S

P

A

A

E
|
E

D

Q

T

T

P

P

V

L

S

T

A

A

W

L

L

Y

M

L

A

G

R

S

I

L

C

I

E

K

E

E

A

A

G

G

L

F

P

P

K

P

G

G

V

V

L

V

N

N

V

I

V

V

H

P

G

G

L

F

G
|
G

A

P

E

T

A

V

G
|
G

Q

A

P

A

L

I

V

S

D

S

H

H

P

P

G

Q

V

I

D

N

V

K

L

I

S

A

F
|
F

T

T

G
|
G

S
|
S

T
|
T

A

E

V
|
V

G

G

R

K

R

L

I

V

A

K

E

E

S

A

C

A

G

S

R

R

-

S

Q

N

L

L

K

K

K

R

L

V

S

T

L

L

E
|
E

L

L

G
|
G

G

G

K

K

N

N

P

P

F

C

V

I

V

V

C

C

D

A

D

D

A

A

D

D

L

L

D

D

N

L

A

A

V

V

K

E

W

C

A

A

C

H

L

Q

S

G

A

V

Y

F

S

F

N

N

A

Q

G

G

Q

Q

R
x
C

C
|
C

A

T

A

A

G

A

S

S

R

R

F

V

L

F

V

V

F

E

E

E

S

Q

V

V

Y

Y

E

S

A

E

F

F

R

V

D

R

K

R

L

S

V

V

E

E

A

Y

T

A

R

K

A

K

Q

R

K

P

L

V

G

G

V

D

E

P

E

F

D

D

C

V

-

K

-

T

D

E

L

Q

G

G

P

P

V

Q

I

I

N

D

E

Q

R

K

Q
|
Q

L

F

N

D

N

K

M

I

L

L

G

E

A

L

I

I

E

E

R

S

A

G

T

K

G

K

K

E

G

G

A

A

K

K

V

L

L

E

I

C

G

G

R

S

R

A

A

M

G

E

D

D

K

K

G

G

C

L

Y

F

L

I

E

K

P

P

T

T

V

V

V

F

E

S

G

E

A

V

A

T

P

D

D

N

D

M

E

R

I

I

S

A

Q

K

T

E

E
|
E

L

I

F

F

G

G

P

P

V

V

A

Q

S

P

L

I

Y

L

R

K

V

F

R

K

D

S

F

I

A

E

Q

E

A

V

L

I

A

K

M

R

A

A

N

N

D

S

H

T

P

D

Y

Y

G

G

L

L

T

T

A

A

C

A

I

V

H

F

T

T

R

K

S

N

L

L

D

D

R

K

A

A

L

L

A

K

F

L

S

A

H

S

G

A

V

L

Q

E

A

S

G

G

A

T

T

V

V

W

V

I

N

N

A

C

G

Y

T

N

Y

-

G

A

S
x
L

E

Y

P

A

H

Q

M

A

P

P

F

F

G

G

P

F

K

K

Q

M

S

S

G

G

N

N

G

G

T

-

R

R

E
|
E

P

L

G

G

T

E

E

Y

A

A

L

L

D

A

V

E

Y

Y

S

T

E

E

L

V

K

K

D

T

I

V

Y

T

L

I

N

K

V

L

active site: N163 (= N154), K186 (= K177), E262 (= E252), C296 (= C286), E393 (= E381), E470 (= E460)
binding nicotinamide-adenine-dinucleotide: I159 (= I150), T160 (≠ I151), W162 (≠ A153), K186 (= K177), E189 (= E180), G219 (= G210), G223 (= G214), F237 (= F228), G239 (= G230), S240 (= S231), T241 (= T232), V243 (= V234), G264 (= G254), Q343 (= Q331), E393 (= E381)
binding retinoic acid: G118 (= G108), R121 (≠ L111), F164 (≠ T155), M168 (≠ N159), W171 (= W162), C295 (≠ R285), C296 (= C286), L453 (≠ S442)

7qk9A Crystal structure of the aldh1a3-atp complex (see paper)
38% identity, 97% coverage: 11:479/484 of query aligns to 16:488/489 of 7qk9A

query
sites
7qk9A

L

F

I

I

G

N

E

E

E

W

R

H

P

E

A

S

E

K

S

S

G

G

R

K

S

K

F

F

A

A

N

T

V

C

N

N

P

P

H

S

D

T

G

R

S

E

E

Q

I

I

C

C

Q

E

V

V

A

E

R

E

S

G

E

D

A

K

A

P

D

D

V

V

S

D

A

K

A

A

V

V

A

E

A

A

R

Q

A

V

A

A

-

F

Q

Q

P

R

G

G

-

S

-

P

W

W

A

R

T

L

P

D

A

A

V

L

Q

S

R

R

G

G

H

R

I

L

L

L

H

H

Q

Q

V

L

M

A

N

D

A

L

L

V

E

E

A

R

R

D

A

R

D

A

E

T

I

L

A

A

A

L

V

E

A

T

A

M

E

D

A

T

G

G

K

K

-

P

R

F

L

L

K

H

D

A

S

F

K

F

G

I

E

D

V

L

G

E

G

G

A

C

I

I

L

R

C

T

G

L

R

R

F

Y

F

F

A

A

G

G

E

W

G

A

Q

D

R

K

L

I

F

Q

G

G

R

K

T

T

M

I

P

P

S

T

G

D

T

D

P

-

N

N

K

V

Y

V

N

C

M

F

T

T

V

R

R

H

T

E

P

P

C

I

G

G

V

V

A

C

G

G

L

A

I
|
I

I
x
T

A
x
P

A
x
W

N

N

T

F

P

P

A

L

P

L

N

M

F

L

A

V

W

W

K

K

V

L

F

A

P

P

A

A

L

L

I

C

C

C

G

G

N

N

A

T

V

M

V

V

L

L

K
|
K

S

P

A

A

E
|
E

D

Q

T

T

P

P

V

L

S

T

A

A

W

L

L

Y

M

L

A

G

R

S

I

L

C

I

E

K

E

E

A

A

G

G

L

F

P

P

K

P

G

G

V

V

L

V

N

N

V

I

V

V

H

P

G

G

L

F

G
|
G

A

P

E

T

A

V

G
|
G

Q

A

P

A

L

I

V

S

D

S

H

H

P

P

G

Q

V

I

D

N

V

K

L

I

S

A

F
|
F

T

T

G

G

S
|
S

T

T

A

E

V
|
V

G

G

R

K

R

L

I

V

A

K

E

E

S

A

C

A

G

S

R

R

-

S

Q

N

L

L

K

K

K

R

L

V

S

T

L

L

E

E

L

L

G

G

K

K

N

N

P

P

F

C

V

I

V

V

C

C

D

A

D

D

A

A

D

D

L

L

D

D

N

L

A

A

V

V

K

E

W

C

A

A

C

H

L

Q

S

G

A

V

Y

F

S

F

N

N

A

Q

G

G

Q

Q

R

C

C

C

A

T

A

A

G

A

S

S

R

R

F

V

L

F

V

V

F

E

E

E

S

Q

V

V

Y

Y

E

S

A

E

F

F

R

V

D

R

K

R

L

S

V

V

E

E

A

Y

T

A

R

K

A

K

Q

R

K

P

L

V

G

G

V

D

E

P

E

F

D

D

C

V

-

K

-

T

D

E

L

Q

G

G

P

P

V

Q

I

I

N

D

E

Q

R

K

Q

Q

L

F

N

D

N

K

M

I

L

L

G

E

A

L

I

I

E

E

R

S

A

G

T

K

G

K

K

E

G

G

A

A

K

K

V

L

L

E

I

C

G

G

R

S

R

A

A

M

G

E

D

D

K

K

G

G

C

L

Y

F

L

I

E

K

P

P

T

T

V

V

V

F

E

S

G

E

A

V

A

T

P

D

D

N

D

M

E

R

I

I

S

A

Q

K

T

E

E

E

L

I

F

F

G

G

P

P

V

V

A

Q

S

P

L

I

Y

L

R

K

V

F

R

K

D

S

F

I

A

E

Q

E

A

V

L

I

A

K

M

R

A

A

N

N

D

S

H

T

P

D

Y

Y

G

G

L

L

T

T

A

A

C

A

I

V

H

F

T

T

R

K

S

N

L

L

D

D

R

K

A

A

L

L

A

K

F

L

S

A

H

S

G

A

V

L

Q

E

A

S

G

G

A

T

T

V

V

W

V

I

N

N

A

C

G

-

T

-

Y

Y

G

N

S

A

-

L

E

Y

P

A

H

Q

M

A

P

P

F

F

G

G

P

F

K

K

Q

M

S

S

G

G

N

N

G

G

T

-

R

R

E

E

P

L

G

G

T

E

E

Y

A

A

L

L

D

A

V

E

Y

Y

S

T

E

E

L

V

K

K

D

T

I

V

Y

T

L

I

N

K

V

L

binding adenosine-5'-triphosphate: I158 (= I150), T159 (≠ I151), P160 (≠ A152), W161 (≠ A153), K185 (= K177), E188 (= E180), G218 (= G210), G222 (= G214), F236 (= F228), S239 (= S231), V242 (= V234)

P47895 Retinaldehyde dehydrogenase 3; RALDH-3; RalDH3; Aldehyde dehydrogenase 6; Aldehyde dehydrogenase family 1 member A3; ALDH1A3; EC 1.2.1.36 from Homo sapiens (Human) (see 2 papers)
38% identity, 97% coverage: 11:479/484 of query aligns to 35:507/512 of P47895

query
sites
P47895

L

F

I

I

G

N

E

E

E

W

R

H

P

E

A

S

E

K

S

S

G

G

R

K

S

K

F

F

A

A

N

T

V

C

N

N

P

P

H

S

D

T

G

R

S

E

E

Q

I

I

C

C

Q

E

V

V

A

E

R

E

S

G

E

D

A

K

A

P

D

D

V

V

S

D

A

K

A

A

V

V

A

E

A

A

R

Q

A

V

A

A

-

F

Q

Q

P

R

G

G

-

S

-

P

W

W

A
x
R

A

R

T

L

P

D

A

A

V

L

Q

S

R

R

G

G

H

R

I

L

L

L

H

H

Q

Q

V

L

M

A

N

D

A

L

L

V

E

E

A

R

R

D

A

R

D

A

E

T

I

L

A

A

A

L

V

E

A

T

A

M

E

D

A

T

G

G

K

K

-

P

R

F

L

L

K

H

D

A

S

F

K

F

G

I

E

D

V

L

G

E

G

G

A

C

I

I

L

R

C

T

G

L

R

R

F

Y

F

F

A

A

G

G

E

W

G

A

Q

D

R

K

L

I

F

Q

G

G

R

K

T

T

M

I

P

P

S

T

G

D

T

D

P

-

N

N

K

V

Y

V

N

C

M

F

T

T

V

R

R

H

T

E

P

P

C

I

G

G

V

V

A

C

G

G

L

A

I

I

I

T

A

P

A

W

N

N

T

F

P

P

A

L

P

L

N

M

F

L

A

V

W

W

K

K

V

L

F

A

P

P

A

A

L

L

I

C

C

C

G

G

N

N

A

T

V

M

V

V

L

L

K
|
K

S

P

A

A

E
|
E

D

Q

T

T

P

P

V

L

S

T

A

A

W

L

L

Y

M

L

A

G

R

S

I

L

C

I

E

K

E

E

A

A

G

G

L

F

P

P

K

P

G

G

V

V

L

V

N

N

V

I

V

V

H

P

G

G

L

F

G

G

A

P

E

T

A

V

G

G

Q

A

P

A

L

I

V

S

D

S

H

H

P

P

G

Q

V

I

D

N

V

K

L

I

S

A

F

F

T

T

G
|
G

S
|
S

T
|
T

A
x
E

V
|
V

G
|
G

R

K

R

L

I

V

A

K

E

E

S

A

C

A

G

S

R

R

-

S

Q

N

L

L

K

K

K

R

L

V

S

T

L

L

E

E

L

L

G

G

K

K

N

N

P

P

F

C

V

I

V

V

C

C

D

A

D

D

A

A

D

D

L

L

D

D

N

L

A

A

V

V

K

E

W

C

A

A

C

H

L

Q

S

G

A

V

Y

F

S

F

N

N

A

Q

G

G

Q

Q

R

C

C

C

A

T

A

A

G

A

S

S

R

R

F

V

L

F

V

V

F

E

E

E

S

Q

V

V

Y

Y

E

S

A

E

F

F

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V

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R

K

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L

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V

E

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A

Y

T

A

R

K

A

K

Q

R

K

P

L

V

G

G

V

D

E

P

E

F

D

D

C

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-

K

-

T

D

E

L

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G

G

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P

V

Q

I

I

N

D

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K

Q
|
Q

L

F

N

D

N

K

M

I

L

L

G

E

A

L

I

I

E

E

R

S

A

G

T

K

G

K

K

E

G

G

A

A

K

K

V

L

L

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I

C

G

G

R

S

R

A

A

M

G

E

D

D

K

K

G

G

C

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Y

F

L

I

E

K

P

P

T

T

V

V

V

F

E

S

G

E

A

V

A

T

P

D

D

N

D

M

E

R

I

I

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A

Q

K

T

E

E
|
E

L

I

F

F

G

G

P

P

V

V

A

Q

S

P

L

I

Y

L

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K

V

F

R

K

D

S

F

I

A

E

Q

E

A

V

L

I

A

K

M

R

A

A

N

N

D

S

H

T

P

D

Y

Y

G

G

L

L

T

T

A

A

C

A

I

V

H

F

T

T

R

K

S

N

L

L

D

D

R

K

A

A

L

L

A

K

F

L

S

A

H

S

G

A

V

L

Q

E

A

S

G

G

A

T

T

V

V

W

V

I

N

N

A

C

G

-

T

-

Y

Y

G

N

S

A

-

L

E

Y

P

A

H

Q

M

A

P

P

F

F

G

G

P

F

K

K

Q

M

S

S

G

G

N

N

G

G

T

-

R

R

E

E

P

L

G

G

T

E

E

Y

A
|
A

L

L

D

A

V

E

Y

Y

S

T

E

E

L

V

K

K

D

T

I

V

Y

T

L

I

N

K

V

L

R89 (≠ A62) to C: in MCOP8; does not affect ALDH1A3 expression; results in strongly reduced protein levels; dbSNP:rs397514652
K204 (= K177) binding NAD(+)
E207 (= E180) binding NAD(+)
GSTEVG 257:262 (≠ GSTAVG 230:235) binding NAD(+)
Q361 (= Q331) binding NAD(+)
E411 (= E381) binding NAD(+)
A493 (= A465) to P: in MCOP8; does not affect ALDH1A3 expression; results in strongly reduced protein levels; dbSNP:rs397514653

Sites not aligning to the query:

1 modified: Initiator methionine, Removed
2 modified: N-acetylalanine

P51977 Aldehyde dehydrogenase 1A1; 3-deoxyglucosone dehydrogenase; ALDH-E1; ALHDII; Aldehyde dehydrogenase family 1 member A1; Aldehyde dehydrogenase, cytosolic; Retinal dehydrogenase 1; RALDH 1; RalDH1; EC 1.2.1.19; EC 1.2.1.28; EC 1.2.1.3; EC 1.2.1.36 from Ovis aries (Sheep) (see 2 papers)
38% identity, 99% coverage: 1:479/484 of query aligns to 6:496/501 of P51977

query
sites
P51977

M

M

T

P

D

D

L

V

P

P

S

A

I

P

L

L

P

T

N

N

L

L

-

Q

-

F

-

K

-

Y

-

T

-

K

-

I

-

F

I

I

G

N

E

E

E

W

R

H

P

S

A

S

E

V

S

S

G

G

R

K

S

K

F

F

A

P

N

V

V

F

N

N

P

P

H

A

D

T

G

E

S

E

E

K

I

L

C

C

Q

E

V

V

A

E

R

E

S

G

E

D

A

K

A

E

D

D

V

V

S

D

A

K

A

A

V

V

A

K

A

A

R

R

A

Q

A

A

-

F

Q

Q

P

I

G

G

-

S

-

P

W

W

A

R

A

T

T

M

P

D

A

A

V

S

Q

E

R

R

G

G

H

R

I

L

L

L

H

N

Q

K

V

L

M

A

N

D

A

L

L

I

E

E

A

R

R

D

A

R

D

L

E

L

I

L

A

A

A

T

A

M

V

E

A

A

A

M

E

N

A

G

G

G

K

K

R

L

L

F

K

S

D

N

S

A

K

Y

-

L

G

M

E

D

V

L

G

G

A

C

I

I

L

K

C

T

G

L

R

R

F

Y

F

C

A

A

G

G

E

W

G

A

Q

D

R

K

L

I

F

Q

G

G

R

R

T

T

M

I

P

P

S

M

G

D

T

G

P

-

N

N

K

F

Y

F

N

T

M

Y

T

T

V

R

R

S

T

E

P

P

C

V

G

G

V

V

A

C

G

G

L

Q

I

I

I
|
I

A
x
P

A
x
W

N
|
N

T

F

P

P

A

L

P

L

N

M

F

F

A

L

W

W

K

K

V

I

F

G

P

P

A

A

L

L

I

S

C

C

G

G

N

N

A

T

V

V

L

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K
|
K

S
x
P

A
|
A

E
|
E

D

Q

T

T

P

P

V

L

S

T

A

A

W

L

L

H

M

M

A

G

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S

I

L

C

I

E

K

E

E

A

A

G

G

L

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P

P

K

P

G

G

V

V

L

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N

N

V

I

V

V

H

P

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G

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Y

G
|
G

A
x
P

E

T

A

A

G

G

Q

A

P

A

L

I

V

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D

S

H

H

P

M

G

D

V

V

D

D

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A

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T

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|
G

S
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S

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T

A

E

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V

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G

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K

R

L

I

I

A

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E

E

S

A

C

A

G

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R

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-

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N

L

L

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K

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R

L

V

S

S

L

L

E
|
E

L
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L

G
|
G

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G

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K

N

S

P

P

F

C

V

I

V

V

C

F

D

A

D

D

A

A

D

D

L

L

D

D

N

N

A

A

V

V

K

E

W

F

A

A

C

H

L

Q

S

G

A

V

Y

F

S

Y

N

H

A

Q

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G

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Q

R

C

C

C

A

I

A

A

G

A

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S

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R

F

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L

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V

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F

E

E

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S

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I

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Y

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D

A

E

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F

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V

D

R

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R

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S

V

V

E

E

A

R

T

A

R

K

A

K

Q

Y

K

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L

L

G

G

-

N

-

P

V

L

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T

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C

V

D

S

L

Q

G

G

P

P

V

Q

I

I

N

D

E

K

R
x
E

Q
|
Q

L
x
Y

N
x
E

N
x
K

M

I

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L

G

D

A

L

I

I

E

E

R

S

A

G

T

K

G

K

K

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G

G

A

A

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K

V

L

L

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C

G

G

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G

R

P

A

W

G

G

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N

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K

G

G

C

Y

Y

F

L

I

E

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P

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V

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V

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E

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A

V

A

T

P

D

D

D

D

M

E

R

I

I

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A

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K

T

E

E
|
E

L
x
I

F
|
F

G

G

P

P

V

V

A

Q

S

Q

L

I

Y

M

R

K

V

F

R

K

D

S

F

L

A

D

Q

D

A

V

L

I

A

K

M

R

A

A

N

N

D

N

H

T

P

F

Y

Y

G

G

L

L

T

S

A

A

C

G

I

I

H

F

T

T

R

N

S

D

L

I

D

D

R

K

A

A

L

I

A

T

F

V

S

S

H

S

G

A

V

L

Q

Q

A

S

G

G

A

T

T

V

V

W

V

V

N

N

A

C

G

Y

T

S

Y

V

G

V

S

S

E

-

P

A

H

Q

M

C

P

P

F

F

G

G

P

F

K

K

Q

M

S

S

G

G

N

N

G

G

T

-

R

R

E

E

P

L

G

G

T

E

E

Y

A

G

L

F

D

H

V

E

Y

Y

S

T

E

E

L

V

K

K

D

T

I

V

Y

T

L

I

N

K

V

I

IPWN 167:170 (≠ IAAN 151:154) binding NAD(+)
KPAE 193:196 (≠ KSAE 177:180) binding NAD(+)
GP 226:227 (≠ GA 210:211) binding NAD(+)
GS 246:247 (= GS 230:231) binding NAD(+)
ELG 269:271 (= ELG 252:254) binding NAD(+)
EQYEK 349:353 (≠ RQLNN 330:334) binding NAD(+)
EIF 400:402 (≠ ELF 381:383) binding NAD(+)

5ac0A Ovis aries aldehyde dehydrogenase 1a1 in complex with a duocarmycin analog (see paper)
38% identity, 99% coverage: 3:479/484 of query aligns to 1:489/494 of 5ac0A

query
sites
5ac0A

D

D

L

V

P

P

S

A

I

P

L

L

P

T

N

N

L

L

-

Q

-

F

-

K

-

Y

-

T

-

K

-

I

-

F

I

I

G

N

E

E

E

W

R

H

P

S

A

S

E

V

S

S

G

G

R

K

S

K

F

F

A

P

N

V

V

F

N

N

P

P

H

A

D

T

G

E

S

E

E

K

I

L

C

C

Q

E

V

V

A

E

R

E

S

G

E

D

A

K

A

E

D

D

V

V

S

D

A

K

A

A

V

V

A

K

A

A

R

R

A

Q

A

A

-

F

Q

Q

P

I

G

G

-

S

-

P

W

W

A

R

A

T

T

M

P

D

A

A

V

S

Q

E

R

R

G

G

H

R

I

L

L

L

H

N

Q

K

V

L

M

A

N

D

A

L

L

I

E

E

A

R

R

D

A

R

D

L

E

L

I

L

A

A

A

T

A

M

V

E

A

A

A

M

E

N

A

G

G

G

K

K

R

L

L

F

K

S

D

N

S

A

K

Y

-

L

G
x
M

E

D

V

L

G

G

A

C

I

I

L

K

C

T

G

L

R

R

F

Y

F

C

A

A

G

G

E

W

G

A

Q

D

R

K

L

I

F

Q

G

G

R

R

T

T

M

I

P

P

S

M

G

D

T

G

P

-

N

N

K

F

Y

F

N

T

M

Y

T

T

V

R

R

S

T

E

P

P

C

V

G

G

V

V

A

C

G

G

L

Q

I
|
I

A
x
P

A
x
W

N
|
N

T
x
F

P

P

A

L

P

L

N

M

F

F

A

L

W
|
W

K

K

V

I

F

G

P

P

A

A

L

L

I

S

C

C

G

G

N

N

A

T

V

V

L

V

K
|
K

S

P

A

A

E
|
E

D

Q

T

T

P

P

V

L

S

T

A

A

W

L

L

H

M

M

A

G

R

S

I

L

C

I

E

K

E

E

A

A

G

G

L

F

P

P

K

P

G

G

V

V

L

V

N

N

V

I

V

V

H

P

G

G

L

Y

G
|
G

A

P

E

T

A

A

G
|
G

Q
x
A

P

A

L

I

V

S

D

S

H

H

P

M

G

D

V

V

D

D

V

K

L

V

S

A

F
|
F

T

T

G
|
G

S
|
S

T

T

A

E

V
|
V

G

G

R

K

R

L

I

I

A

K

E

E

S

A

C

A

G

G

R

K

-

S

Q

N

L

L

K

K

K

R

L

V

S

S

L

L

E
|
E

L

L

G
|
G

G

G

K

K

N

S

P

P

F

C

V

I

V

V

C

F

D

A

D

D

A

A

D

D

L

L

D

D

N

N

A

A

V

V

K

E

W

F

A

A

C

H

L

Q

S

G

A

V

Y

F

S
x
Y

N

H

A

Q

G

G

Q

Q

R
x
C

C
|
C

A

I

A

A

G

A

S

S

R

R

F

L

L

F

V

V

F

E

E

E

S

S

V

I

Y

Y

E

D

A

E

F

F

R

V

D

R

K

R

L

S

V

V

E

E

A

R

T

A

R

K

A

K

Q

Y

K

V

L

L

G

G

-

N

-

P

V

L

E

T

E

P

D

G

C

V

D

S

L

Q

G

G

P

P

V

Q

I

I

N

D

E

K

R

E

Q
|
Q

L

Y

N

E

N
x
K

M

I

L

L

G

D

A

L

I

I

E

E

R

S

A

G

T

K

G

K

K

E

G

G

A

A

K

K

V

L

L

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I

C

G

G

R

G

R

P

A

W

G

G

D

N

K

K

G

G

C

Y

Y

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L

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V

V

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A

V

A

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P

D

D

D

D

M

E

R

I

I

S

A

Q

K

T

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E
|
E

L

I

F

F

G

G

P

P

V

V

A

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S

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L

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M

R

K

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R

K

D

S

F

L

A

D

Q

D

A

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A

K

M

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A

A

N

N

D

N

H

T

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F

Y

Y

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G

L

L

T

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A

A

C

G

I

I

H

F

T

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R

N

S

D

L

I

D

D

R

K

A

A

L

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A

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S

H

S

G

A

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L

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Q

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G

A

T

T

V

V

W

V

V

N

N

A

C

G

Y

T

S

Y

V

G

V

S

S

E

-

P

A

H

Q

M

C

P

P

F

F

G

G

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F

K

K

Q

M

S

S

G

G

N

N

G

G

T

-

R

R

E
|
E

P

L

G

G

T

E

E

Y

A

G

L

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D

H

V

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Y

Y

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E

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K

D

T

I

V

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T

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K

V

I

active site: N163 (= N154), K186 (= K177), E262 (= E252), C296 (= C286), E393 (= E381), E470 (= E460)
binding 1-[(1S)-1-methyl-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]hexan-1-one: M114 (≠ G104), F164 (≠ T155), W171 (= W162), Y290 (≠ S280), C295 (≠ R285), C296 (= C286)
binding nicotinamide-adenine-dinucleotide: I159 (= I150), I160 (= I151), P161 (≠ A152), W162 (≠ A153), K186 (= K177), E189 (= E180), G219 (= G210), G223 (= G214), A224 (≠ Q215), F237 (= F228), G239 (= G230), S240 (= S231), V243 (= V234), G264 (= G254), C296 (= C286), Q343 (= Q331), K346 (≠ N334), E393 (= E381)

5abmA Sheep aldehyde dehydrogenase 1a1 (see paper)
38% identity, 99% coverage: 3:479/484 of query aligns to 1:489/494 of 5abmA

query
sites
5abmA

D

D

L

V

P

P

S

A

I

P

L

L

P

T

N

N

L

L

-

Q

-

F

-

K

-

Y

-

T

-

K

-

I

-

F

I

I

G

N

E

E

E

W

R

H

P

S

A

S

E

V

S

S

G

G

R

K

S

K

F

F

A

P

N

V

V

F

N

N

P

P

H

A

D

T

G

E

S

E

E

K

I

L

C

C

Q

E

V

V

A

E

R

E

S

G

E

D

A

K

A

E

D

D

V

V

S

D

A

K

A

A

V

V

A

K

A

A

R

R

A

Q

A

A

-

F

Q

Q

P

I

G

G

-

S

-

P

W

W

A

R

A

T

T

M

P

D

A

A

V

S

Q

E

R

R

G

G

H

R

I

L

L

L

H

N

Q

K

V

L

M

A

N

D

A

L

L

I

E

E

A

R

R

D

A

R

D

L

E

L

I

L

A

A

A

T

A

M

V

E

A

A

A

M

E

N

A

G

G

G

K

K

R

L

L

F

K

S

D

N

S

A

K

Y

-

L

G

M

E

D

V

L

G

G

A

C

I

I

L

K

C

T

G

L

R

R

F

Y

F

C

A

A

G

G

E

W

G

A

Q

D

R

K

L

I

F

Q

G

G

R

R

T

T

M

I

P

P

S

M

G

D

T

G

P

-

N

N

K

F

Y

F

N

T

M

Y

T

T

V

R

R

S

T

E

P

P

C

V

G

G

V

V

A

C

G

G

L

Q

I
|
I

A
x
P

A
x
W

N
|
N

T

F

P

P

A

L

P

L

N

M

F

F

A

L

W

W

K

K

V

I

F

G

P

P

A

A

L

L

I

S

C

C

G

G

N

N

A

T

V

V

L

V

K
|
K

S

P

A

A

E
|
E

D

Q

T

T

P

P

V

L

S

T

A

A

W

L

L

H

M

M

A

G

R

S

I

L

C

I

E

K

E

E

A

A

G

G

L

F

P

P

K

P

G

G

V

V

L

V

N

N

V

I

V

V

H

P

G

G

L

Y

G
|
G

A

P

E

T

A

A

G
|
G

Q

A

P

A

L

I

V

S

D

S

H

H

P

M

G

D

V

V

D

D

V

K

L

V

S

A

F
|
F

T

T

G
|
G

S
|
S

T

T

A

E

V
|
V

G

G

R

K

R

L

I

I

A

K

E

E

S

A

C

A

G

G

R

K

-

S

Q

N

L

L

K

K

K

R

L

V

S

S

L

L

E
|
E

L

L

G
|
G

G

G

K

K

N

S

P

P

F

C

V

I

V

V

C

F

D

A

D

D

A

A

D

D

L

L

D

D

N

N

A

A

V

V

K

E

W

F

A

A

C

H

L

Q

S

G

A

V

Y

F

S

Y

N

H

A

Q

G

G

Q

Q

R

C

C
|
C

A

I

A

A

G

A

S

S

R

R

F

L

L

F

V

V

F

E

E

E

S

S

V

I

Y

Y

E

D

A

E

F

F

R

V

D

R

K

R

L

S

V

V

E

E

A

R

T

A

R

K

A

K

Q

Y

K

V

L

L

G

G

-

N

-

P

V

L

E

T

E

P

D

G

C

V

D

S

L

Q

G

G

P

P

V

Q

I

I

N

D

E

K

R

E

Q
|
Q

L

Y

N

E

N
x
K

M

I

L

L

G

D

A

L

I

I

E

E

R

S

A

G

T

K

G

K

K

E

G

G

A

A

K

K

V

L

L

E

I

C

G

G

R

G

R

P

A

W

G

G

D

N

K

K

G

G

C

Y

Y

F

L

I

E

Q

P

P

T

T

V

V

V

F

E

S

G

D

A

V

A

T

P

D

D

D

D

M

E

R

I

I

S

A

Q

K

T

E

E
|
E

L

I

F
|
F

G

G

P

P

V

V

A

Q

S

Q

L

I

Y

M

R

K

V

F

R

K

D

S

F

L

A

D

Q

D

A

V

L

I

A

K

M

R

A

A

N

N

D

N

H

T

P

F

Y

Y

G

G

L

L

T

S

A

A

C

G

I

I

H

F

T

T

R

N

S

D

L

I

D

D

R

K

A

A

L

I

A

T

F

V

S

S

H

S

G

A

V

L

Q

Q

A

S

G

G

A

T

T

V

V

W

V

V

N

N

A

C

G

Y

T

S

Y

V

G

V

S

S

E

-

P

A

H

Q

M

C

P

P

F

F

G

G

P

F

K

K

Q

M

S

S

G

G

N

N

G

G

T

-

R

R

E
|
E

P

L

G

G

T

E

E

Y

A

G

L

F

D

H

V

E

Y

Y

S

T

E

E

L

V

K

K

D

T

I

V

Y

T

L

I

N

K

V

I

active site: N163 (= N154), K186 (= K177), E262 (= E252), C296 (= C286), E393 (= E381), E470 (= E460)
binding [[(2R,3S,4R,5R)-5-[(3R)-3-aminocarbonyl-3,4-dihydro-2H-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate: I159 (= I150), I160 (= I151), P161 (≠ A152), W162 (≠ A153), K186 (= K177), E189 (= E180), G219 (= G210), G223 (= G214), F237 (= F228), G239 (= G230), S240 (= S231), V243 (= V234), G264 (= G254), Q343 (= Q331), K346 (≠ N334), E393 (= E381), F395 (= F383)

1bxsA Sheep liver class 1 aldehyde dehydrogenase with NAD bound (see paper)
38% identity, 99% coverage: 3:479/484 of query aligns to 1:489/494 of 1bxsA

query
sites
1bxsA

D

D

L

V

P

P

S

A

I

P

L

L

P

T

N

N

L

L

-

Q

-

F

-

K

-

Y

-

T

-

K

-

I

-

F

I

I

G

N

E

E

E

W

R

H

P

S

A

S

E

V

S

S

G

G

R

K

S

K

F

F

A

P

N

V

V

F

N

N

P

P

H

A

D

T

G

E

S

E

E

K

I

L

C

C

Q

E

V

V

A

E

R

E

S

G

E

D

A

K

A

E

D

D

V

V

S

D

A

K

A

A

V

V

A

K

A

A

R

R

A

Q

A

A

-

F

Q

Q

P

I

G

G

-

S

-

P

W

W

A

R

A

T

T

M

P

D

A

A

V

S

Q

E

R

R

G

G

H

R

I

L

L

L

H

N

Q

K

V

L

M

A

N

D

A

L

L

I

E

E

A

R

R

D

A

R

D

L

E

L

I

L

A

A

A

T

A

M

V

E

A

A

A

M

E

N

A

G

G

G

K

K

R

L

L

F

K

S

D

N

S

A

K

Y

-

L

G

M

E

D

V

L

G

G

A

C

I

I

L

K

C

T

G

L

R

R

F

Y

F

C

A

A

G

G

E

W

G

A

Q

D

R

K

L

I

F

Q

G

G

R

R

T

T

M

I

P

P

S

M

G

D

T

G

P

-

N

N

K

F

Y

F

N

T

M

Y

T

T

V

R

R

S

T

E

P

P

C

V

G

G

V

V

A

C

G

G

L

Q

I
|
I

A
x
P

A
x
W

N
|
N

T

F

P

P

A

L

P

L

N

M

F

F

A

L

W

W

K

K

V

I

F

G

P

P

A

A

L

L

I

S

C

C

G

G

N

N

A

T

V

V

L

V

K
|
K

S

P

A

A

E
|
E

D

Q

T

T

P

P

V

L

S

T

A

A

W

L

L

H

M

M

A

G

R

S

I

L

C

I

E

K

E

E

A

A

G

G

L

F

P

P

K

P

G

G

V

V

L

V

N

N

V

I

V

V

H

P

G

G

L

Y

G
|
G

A

P

E

T

A

A

G
|
G

Q

A

P

A

L

I

V

S

D

S

H

H

P

M

G

D

V

V

D

D

V

K

L

V

S

A

F
|
F

T

T

G
|
G

S
|
S

T

T

A

E

V
|
V

G

G

R

K

R

L

I

I

A

K

E

E

S

A

C

A

G

G

R

K

-

S

Q

N

L

L

K

K

K

R

L

V

S

S

L

L

E
|
E

L
|
L

G

G

K

K

N

S

P

P

F

C

V

I

V

V

C

F

D

A

D

D

A

A

D

D

L

L

D

D

N

N

A

A

V

V

K

E

W

F

A

A

C

H

L

Q

S

G

A

V

Y

F

S

Y

N

H

A

Q

G

G

Q

Q

R

C

C
|
C

A

I

A

A

G

A

S

S

R

R

F

L

L

F

V

V

F

E

E

E

S

S

V

I

Y

Y

E

D

A

E

F

F

R

V

D

R

K

R

L

S

V

V

E

E

A

R

T

A

R

K

A

K

Q

Y

K

V

L

L

G

G

-

N

-

P

V

L

E

T

E

P

D

G

C

V

D

S

L

Q

G

G

P

P

V

Q

I

I

N

D

E

K

R

E

Q
|
Q

L

Y

N

E

N
x
K

M

I

L

L

G

D

A

L

I

I

E

E

R

S

A

G

T

K

G

K

K

E

G

G

A

A

K

K

V

L

L

E

I

C

G

G

R

G

R

P

A

W

G

G

D

N

K

K

G

G

C

Y

Y

F

L

I

E

Q

P

P

T

T

V

V

V

F

E

S

G

D

A

V

A

T

P

D

D

D

D

M

E

R

I

I

S

A

Q

K

T

E

E
|
E

L

I

F
|
F

G

G

P

P

V

V

A

Q

S

Q

L

I

Y

M

R

K

V

F

R

K

D

S

F

L

A

D

Q

D

A

V

L

I

A

K

M

R

A

A

N

N

D

N

H

T

P

F

Y

Y

G

G

L

L

T

S

A

A

C

G

I

I

H

F

T

T

R

N

S

D

L

I

D

D

R

K

A

A

L

I

A

T

F

V

S

S

H

S

G

A

V

L

Q

Q

A

S

G

G

A

T

T

V

V

W

V

V

N

N

A

C

G

Y

T

S

Y

V

G

V

S

S

E

-

P

A

H

Q

M

C

P

P

F

F

G

G

P

F

K

K

Q

M

S

S

G

G

N

N

G

G

T

-

R

R

E
|
E

P

L

G

G

T

E

E

Y

A

G

L

F

D

H

V

E

Y

Y

S

T

E

E

L

V

K

K

D

T

I

V

Y

T

L

I

N

K

V

I

active site: N163 (= N154), K186 (= K177), E262 (= E252), C296 (= C286), E393 (= E381), E470 (= E460)
binding nicotinamide-adenine-dinucleotide: I159 (= I150), I160 (= I151), P161 (≠ A152), W162 (≠ A153), K186 (= K177), E189 (= E180), G219 (= G210), G223 (= G214), F237 (= F228), G239 (= G230), S240 (= S231), V243 (= V234), L263 (= L253), C296 (= C286), Q343 (= Q331), K346 (≠ N334), E393 (= E381), F395 (= F383)

Query Sequence

>WP_085121241.1 NCBI__GCF_900177295.1:WP_085121241.1
MTDLPSILPNLIGGEERPAESGRSFANVNPHDGSEICQVARSEAADVSAAVAAARAAQPG
WAATPAVQRGHILHQVMNALEARADEIAAAVAAEAGKRLKDSKGEVGGAILCGRFFAGEG
QRLFGRTMPSGTPNKYNMTVRTPCGVAGLIIAANTPAPNFAWKVFPALICGNAVVLKSAE
DTPVSAWLMARICEEAGLPKGVLNVVHGLGAEAGQPLVDHPGVDVLSFTGSTAVGRRIAE
SCGRQLKKLSLELGGKNPFVVCDDADLDNAVKWACLSAYSNAGQRCAAGSRFLVFESVYE
AFRDKLVEATRAQKLGVEEDCDLGPVINERQLNNMLGAIERATGKGAKVLIGGRRAGDKG
CYLEPTVVEGAAPDDEISQTELFGPVASLYRVRDFAQALAMANDHPYGLTACIHTRSLDR
ALAFSHGVQAGATVVNAGTYGSEPHMPFGGPKQSGNGTREPGTEALDVYSELKDIYLNVD
PAKL

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