SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing SMa2213 SMa2213 aldehyde dehydrogenase 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)

7radA Crystal structure analysis of aldh1b1
45% identity, 98% coverage: 3:486/494 of query aligns to 9:491/493 of 7radA

query
sites
7radA

N

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N

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N

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C

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P

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N

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binding nicotinamide-adenine-dinucleotide: I158 (= I150), I159 (≠ V151), P160 (= P152), W161 (= W153), N162 (= N154), M167 (≠ L159), K185 (= K177), E188 (= E180), G218 (= G210), G222 (= G214), A223 (≠ E215), T237 (= T229), G238 (= G230), S239 (= S231), V242 (≠ T234), 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 (≠ H105), E117 (≠ Y109), F163 (≠ A155), E285 (≠ G276), F289 (≠ G280), N450 (≠ R445), V452 (≠ I447)

7mjdA Crystal structure analysis of aldh1b1
45% identity, 98% coverage: 3:486/494 of query aligns to 9:491/493 of 7mjdA

query
sites
7mjdA

N

D

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Y

L

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A

A

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W

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N

N

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x
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binding nicotinamide-adenine-dinucleotide: I158 (= I150), I159 (≠ V151), P160 (= P152), W161 (= W153), N162 (= N154), M167 (≠ L159), K185 (= K177), E188 (= E180), G218 (= G210), G222 (= G214), F236 (= F228), T237 (= T229), G238 (= G230), S239 (= S231), V242 (≠ T234), 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 (≠ Y109), E285 (≠ G276), F289 (≠ G280), N450 (≠ R445), V452 (≠ I447)

7mjcA Crystal structure analysis of aldh1b1
45% identity, 98% coverage: 3:486/494 of query aligns to 9:491/493 of 7mjcA

query
sites
7mjcA

N

D

L

I

P

P

K

Y

L

N

S

Q

M

L

Y

F

I

I

D

N

G

N

Q

E

W

W

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Q

A

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A

A

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S

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K

E

K

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N

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A

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A

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G

N

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A

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D

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K

A

A

A

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A

A

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G

G

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A

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E

E

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L

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R

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F

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A

A

A

D

L

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E

E

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A

Y

L

L

A

A

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E

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D

D

N

N

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E

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W

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K

A

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A

A

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G

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K

E

T
x
V

G

G

A

-

H

H

L

L

Y

I

S

Q

L

K

A

A

A

A

K

G

D

D

-

S

-

N

V

L

K

K

R

R

V

V

S

T

L

L

E
|
E

L
|
L

G

G

G

G

K

K

S

S

P

P

N

S

I

I

V

V

F

L

G

A

D

D

A

A

D

D

L

M

D

E

N

H

A

A

V

V

R

E

G

Q

V

C

V

H

G

E

G

A

I

L

F

F

G

F

A

N

V

M

G

G

Q

Q

T

C

C
|
C

I

C

A

A

G

G

S

S

R

R

L

T

L

F

V

V

H

E

R

E

S

S

I

I

H

Y

D

N

E

E

F

F

L

L

E

E

K

R

L

T

A

V

V

E

F

K

T

A

K

K

T

Q

A

R

R

K

I

V

G

G

D

N

P

P

R

F

K

E

V

L

E

D

T

T

Q

Q

I

Q

G

G

P

P

I

Q

A

V

N

D

S

K

M

E

Q

Q

F

F

E

E

K

R

V

V

L

L

G

G

Y

Y

I

I

D

Q

I

L

A

G

R

Q

R

K

E

E

G

G

A

A

E

K

L

L

I

L

L

C

G

G

G

G

G

E

R

R

P

F

D

G

L

E

E

R

E

-

C

-

G

-

T

-

G

G

Y

F

F

F

I

I

E

K

P

P

T

T

I

V

F

F

A

G

G

G

V

V

S

Q

N

D

D

D

M

M

R

R

I

I

A

A

R

K

E

E

E
|
E

V

I

F
|
F

G

G

P

P

V

V

L

Q

S

P

A

L

I

F

V

K

F

F

D

K

E

K

P

I

E

E

E

E

A

V

L

V

A

E

I

R

A

A

N

N

D

N

S

T

E

R

F

Y

G

G

L

L

G

A

A

A

G

A

V

V

W

F

T

T

S

R

D

D

M

L

R

D

L

K

A

A

L

M

K

Y

M

F

S

T

E

Q

R

A

L

L

E

Q

A

A

G

G

S

T

V

V

W

W

V

V

N

N

T

T

Y

Y

R

N

D

I

I

V

S

T

Y

C

T

H

T

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

N

L

G

G

V

E

A

D

G

G

I

L

Y

K

E

A

Y

Y

L

T

Q

E

T

V

K

K

A

T

V

V

W

T

L

I

S

K

T

V

A

P

E

Q

E

K

binding nicotinamide-adenine-dinucleotide: I158 (= I150), I159 (≠ V151), P160 (= P152), W161 (= W153), N162 (= N154), K185 (= K177), E188 (= E180), G218 (= G210), G222 (= G214), T237 (= T229), G238 (= G230), S239 (= S231), V242 (≠ T234), E261 (= E252), L262 (= L253), C295 (= C286), E392 (= E387), F394 (= F389)

5gtlA NADPH complex structure of aldehyde dehydrogenase from bacillus cereus
43% identity, 97% coverage: 6:482/494 of query aligns to 16:489/491 of 5gtlA

query
sites
5gtlA

K

E

L

I

S

K

M

M

Y

F

I

I

D

N

G

G

Q

E

W

F

V

V

A

S

P

A

A

I

S

G

G

G

E

K

Y

T

I

F

E

E

T

T

V

Y

D

N

P

P

F

A

T

T

A

E

R

D

P

V

W

L

A

A

L

V

V

V

P

C

R

E

G

A

N

Q

A

E

E

E

D

D

A

I

D

D

R

A

A

A

V

V

R

K

A

A

A

A

H

R

R

S

A

A

F

F

S

E

Q

S

G

G

P

P

W

W

G

A

K

E

M

M

H

T

P

T

T

A

E

E

R

R

G

A

R

H

I

L

I

I

Q

Y

R

K

F

L

A

A

A

D

L

L

I

I

E

E

E

E

H

H

A

R

D

E

A

E

L

L

A

A

D

Q

I

L

E

E

V

A

R

L

D

D

N

N

G

G

R

K

-

P

L

Y

L

Q

A

V

E

A

M

L

T

D

H

D

Q

D

I

I

R

S

Y

A

I

T

P

V

R

E

W

N

Y

Y

H

R

Y

Y

Y

Y

A

A

G

G

F

W

A

T

D

T

K

K

I

I

E

I

G

G

T

Q

L

T

H

I

P

P

C

I

D

S

K

K

P

D

A

Y

L

L

S

N

F

Y

S

T

R

R

H

H

E

E

P

P

L

V

G

G

V

V

C

V

V

G

G

Q

I
|
I

V

I

P
|
P

W

W

N
|
N

A

F

P

P

L

L

L

V

L

M

F

S

S

S

L

W

K

K

A

M

A

G

P

A

A

A

L

L

A

A

A

T

G

G

N

C

T

T

L

I

V

V

M

L

K
|
K

P

P

A
|
A

E
|
E

F
x
Q

T

T

S

P

A

L

T

S

A

L

L

L

K

Y

L

A

M

A

E

K

L

L

V

F

E

K

K

E

A

A

G

G

F

F

P

P

T

N

G

G

V

V

I

V

N

N

V

F

V

V

T

P

G

G

Y

F

G
|
G

P

P

E

E

V

A

G
|
G

E

A

P

A

L

I

V

V

T

N

H

H

P

H

L

D

T

I

R

D

H

K

V

V

G

A

F

F

T

T

G
|
G

S
|
S

T

T

K

V

T
|
T

G

G

A

K

H

Y

L

I

Y

M

S

R

L

Q

A

S

A

A

K

E

D

M

V

I

K

K

R

H

V

V

S

T

L

L

E
|
E

L
|
L

G

G

G

G

K

K

S

S

P

P

N

N

I

I

V

I

F

L

G

E

D

D

A

A

D

D

L

L

D

E

N

E

A

A

V

I

R

N

G

G

V

A

V

F

G

Q

G

G

I

I

F

M

G

Y

A

N

V

H

G

G

Q

Q

T

N

C
|
C

I

S

A

A

G

G

S

S

R

R

L

V

L

F

V

V

H

H

R

R

S

K

I

H

H

Y

D

E

E

T

F

V

L

V

E

D

K

A

L

L

A

V

V

K

F

M

T

A

K

N

T

N

A

V

R

K

I

L

G

G

D

A

P

G

R

M

K

E

V

K

E

E

T

T

Q

E

I

M

G

G

P

P

I

L

A

V

N

S

S

K

M

K

Q

Q

F

Q

E

E

K

R

V

V

L

L

G

N

Y

Y

I

I

D

E

I

Q

A

G

R

K

R

K

E

E

G

G

A

A

E

T

L

V

I

A

L

A

G

G

G

G

G

E

R

R

P

A

D

-

L

L

E

E

E

K

C

-

G

-

T

-

G

G

Y

Y

F

F

I

V

E

K

P

P

T

T

I

V

F

F

A

T

G

D

V

V

S

T

N

D

D

D

M

M

R

T

I

I

A

V

R

K

E

E

E
|
E

V

I

F
|
F

G

G

P

P

V

V

L

V

S

V

A

V

I

L

V

P

F

F

D

D

E

S

P

T

E

E

E

E

A

V

L

I

A

E

I

R

A

A

N

N

D

N

S

S

E

S

F

Y

G

G

L

L

G

A

A

A

G

G

V

V

W

W

T

T

S

Q

D

N

M

I

R

K

L

T

A

G

L

H

K

Q

M

V

S

A

E

N

R

K

L

L

E

K

A

A

G

G

S

T

V

V

W

W

V

I

N

N

T

D

Y

Y

R

N

D

L

I

E

S

N

Y

A

T

A

T

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

N

L

G

G

V

S

A

Y

G

A

I

L

Y

D

E

N

Y

Y

L

T

Q

E

T

V

K

K

A

S

V

V

W

W

L

V

S

N

active site: N165 (= N154), K188 (= K177), E263 (= E252), C297 (= C286), E394 (= E387), E471 (= E464)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: I161 (= I150), P163 (= P152), K188 (= K177), A190 (= A179), E191 (= E180), Q192 (≠ F181), G221 (= G210), G225 (= G214), G241 (= G230), S242 (= S231), T245 (= T234), L264 (= L253), C297 (= C286), E394 (= E387), F396 (= F389)

5gtkA NAD+ complex structure of aldehyde dehydrogenase from bacillus cereus
43% identity, 97% coverage: 6:482/494 of query aligns to 16:489/491 of 5gtkA

query
sites
5gtkA

K

E

L

I

S

K

M

M

Y

F

I

I

D

N

G

G

Q

E

W

F

V

V

A

S

P

A

A

I

S

G

G

G

E

K

Y

T

I

F

E

E

T

T

V

Y

D

N

P

P

F

A

T

T

A

E

R

D

P

V

W

L

A

A

L

V

V

V

P

C

R

E

G

A

N

Q

A

E

E

E

D

D

A

I

D

D

R

A

A

A

V

V

R

K

A

A

A

A

H

R

R

S

A

A

F

F

S

E

Q

S

G

G

P

P

W

W

G

A

K

E

M

M

H

T

P

T

T

A

E

E

R

R

G

A

R

H

I

L

I

I

Q

Y

R

K

F

L

A

A

A

D

L

L

I

I

E

E

E

E

H

H

A

R

D

E

A

E

L

L

A

A

D

Q

I

L

E

E

V

A

R

L

D

D

N

N

G

G

R

K

-

P

L

Y

L

Q

A

V

E

A

M

L

T

D

H

D

Q

D

I

I

R

S

Y

A

I

T

P

V

R

E

W

N

Y

Y

H

R

Y

Y

Y

Y

A

A

G

G

F

W

A

T

D

T

K

K

I

I

E

I

G

G

T

Q

L

T

H

I

P

P

C

I

D

S

K

K

P

D

A

Y

L

L

S

N

F

Y

S

T

R

R

H

H

E

E

P

P

L

V

G

G

V

V

C

V

V

G

G

Q

I
|
I

V
x
I

P
|
P

W
|
W

N
|
N

A

F

P

P

L

L

L

V

L

M

F

S

S

S

L

W

K

K

A

M

A

G

P

A

A

A

L

L

A

A

A

T

G

G

N

C

T

T

L

I

V

V

M

L

K
|
K

P

P

A

A

E
|
E

F

Q

T

T

S

P

A

L

T

S

A

L

L

L

K

Y

L

A

M

A

E

K

L

L

V

F

E

K

K

E

A

A

G

G

F

F

P

P

T

N

G

G

V

V

I

V

N

N

V

F

V

V

T

P

G

G

Y

F

G
|
G

P

P

E

E

V

A

G
|
G

E
x
A

P

A

L

I

V

V

T

N

H

H

P

H

L

D

T

I

R

D

H

K

V

V

G

A

F
|
F

T

T

G
|
G

S
|
S

T

T

K

V

T
|
T

G

G

A

K

H
x
Y

L

I

Y

M

S

R

L

Q

A

S

A

A

K

E

D

M

V

I

K

K

R

H

V

V

S

T

L

L

E
|
E

L
|
L

G

G

G

G

K

K

S

S

P

P

N

N

I

I

V

I

F

L

G

E

D

D

A

A

D

D

L

L

D

E

N

E

A

A

V

I

R

N

G

G

V

A

V

F

G

Q

G

G

I

I

F

M

G

Y

A

N

V

H

G

G

Q

Q

T

N

C
|
C

I

S

A

A

G

G

S

S

R

R

L

V

L

F

V

V

H

H

R

R

S

K

I

H

H

Y

D

E

E

T

F

V

L

V

E

D

K

A

L

L

A

V

V

K

F

M

T

A

K

N

T

N

A

V

R

K

I

L

G

G

D

A

P

G

R

M

K

E

V

K

E

E

T

T

Q

E

I

M

G

G

P

P

I

L

A

V

N

S

S

K

M

K

Q
|
Q

F

Q

E

E

K
x
R

V

V

L

L

G

N

Y

Y

I

I

D

E

I

Q

A

G

R

K

R

K

E

E

G

G

A

A

E

T

L

V

I

A

L

A

G

G

G

G

G

E

R

R

P

A

D

-

L

L

E

E

E

K

C

-

G

-

T

-

G

G

Y

Y

F

F

I

V

E

K

P

P

T

T

I

V

F

F

A

T

G

D

V

V

S

T

N

D

D

D

M

M

R

T

I

I

A

V

R

K

E

E

E
|
E

V

I

F
|
F

G

G

P

P

V

V

L

V

S

V

A

V

I

L

V

P

F

F

D

D

E

S

P

T

E

E

E

E

A

V

L

I

A

E

I

R

A

A

N

N

D

N

S

S

E

S

F

Y

G

G

L

L

G

A

A

A

G

G

V

V

W

W

T

T

S

Q

D

N

M

I

R

K

L

T

A

G

L

H

K

Q

M

V

S

A

E

N

R

K

L

L

E

K

A

A

G

G

S

T

V

V

W

W

V

I

N

N

T

D

Y

Y

R

N

D

L

I

E

S

N

Y

A

T

A

T

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

N

L

G

G

V

S

A

Y

G

A

I

L

Y

D

E

N

Y

Y

L

T

Q

E

T

V

K

K

A

S

V

V

W

W

L

V

S

N

active site: N165 (= N154), K188 (= K177), E263 (= E252), C297 (= C286), E394 (= E387), E471 (= E464)
binding nicotinamide-adenine-dinucleotide: I161 (= I150), I162 (≠ V151), P163 (= P152), W164 (= W153), K188 (= K177), E191 (= E180), G221 (= G210), G225 (= G214), A226 (≠ E215), F239 (= F228), G241 (= G230), S242 (= S231), T245 (= T234), Y248 (≠ H237), L264 (= L253), C297 (= C286), Q344 (= Q333), R347 (≠ K336), E394 (= E387), F396 (= F389)

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)
43% identity, 97% coverage: 9:486/494 of query aligns to 23:499/501 of P51977

query
sites
P51977

M

I

Y

F

I

I

D

N

G

N

Q

E

W

W

V

H

A

S

P

S

A

V

S

S

G

G

E

K

Y

K

I

F

E

P

T

V

V

F

D

N

P

P

F

A

T

T

A

E

R

E

P

K

W

L

A

C

L

E

V

V

P

E

R

E

G

G

N

D

A

K

E

E

D

D

A

V

D

D

R

K

A

A

V

V

R

K

A

A

A

A

H

R

R

Q

A

A

F

F

S

Q

Q

I

G

G

-

S

P

P

W

W

G

R

K

T

M

M

H

D

P

A

T

S

E

E

R

R

G

G

R

R

I

L

I

L

Q

N

R

K

F

L

A

A

A

D

L

L

I

I

E

E

E

R

H

D

A

R

D

L

A

L

L

L

A

A

D

T

I

M

E

E

V

A

R

M

D

N

N

G

G

G

R

K

L

L

L

F

A

S

E

N

-

A

M

Y

T

L

H

M

Q

D

I

L

R

G

Y

G

I

C

P

I

R

K

W

T

Y

L

H

R

Y

Y

Y

C

A

A

G

G

F

W

A

A

D

D

K

K

I

I

E

Q

G

G

T

R

L

T

H

I

P

P

C

M

D

D

K

G

P

N

A

F

L

F

S

T

F

Y

S

T

R

R

H

S

E

E

P

P

L

V

G

G

V

V

C

C

V

G

G

Q

I

I

V
x
I

P
|
P

W
|
W

N
|
N

A

F

P

P

L

L

L

L

L

M

F

F

S

L

L

W

K

K

A

I

A

G

P

P

A

A

L

L

A

S

A

C

G

G

N

N

T

T

L

V

V

V

M

V

K
|
K

P
|
P

A
|
A

E
|
E

F

Q

T

T

S

P

A

L

T

T

A

A

L

L

K

H

L

M

M

G

E

S

L

L

V

I

E

K

K

E

A

A

G

G

F

F

P

P

T

P

G

G

V

V

I

V

N

N

V

I

V

V

T

P

G

G

Y

Y

G
|
G

P
|
P

E

T

V

A

G

G

E

A

P

A

L

I

V

S

T

S

H

H

P

M

L

D

T

V

R

D

H

K

V

V

G

A

F

F

T

T

G
|
G

S
|
S

T

T

K

E

T

V

G

G

A

K

H

L

L

I

Y

K

S

E

L

A

A

A

A

G

K

K

-

S

D

N

V

L

K

K

R

R

V

V

S

S

L

L

E
|
E

L
|
L

G
|
G

G

G

K

K

S

S

P

P

N

C

I

I

V

V

F

F

G

A

D

D

A

A

D

D

L

L

D

D

N

N

A

A

V

V

R

E

G

F

V

A

V

H

G

Q

G

G

I

V

F

F

G

Y

A

H

V

Q

G

G

Q

Q

T

C

C

C

I

I

A

A

G

A

S

S

R

R

L

L

L

F

V

V

H

E

R

E

S

S

I

I

H

Y

D

D

E

E

F

F

L

V

E

R

K

R

L

S

A

V

V

E

F

R

T

A

K

K

T

K

A

Y

R

V

I

L

G

G

D

N

P

P

R

L

K

T

V

P

E

G

T

V

Q

S

I

Q

G

G

P

P

I

Q

A

I

N

D

S

K

M
x
E

Q
|
Q

F
x
Y

E
|
E

K
|
K

V

I

L

L

G

D

Y

L

I

I

D

E

I

S

A

G

R

K

R

K

E

E

G

G

A

A

E

K

L

L

I

E

L

C

G

G

G

G

G

G

R

-

P

-

D

-

L

-

E

P

E

W

C

G

G

N

T

K

G

G

Y

Y

F

F

I

I

E

Q

P

P

T

T

I

V

F

F

A

S

G

D

V

V

S

T

N

D

D

D

M

M

R

R

I

I

A

A

R

K

E

E

E
|
E

V
x
I

F
|
F

G

G

P

P

V

V

L

Q

S

Q

A

I

I

M

V

K

F

F

D

K

E

S

P

L

E

D

E

D

A

V

L

I

A

K

I

R

A

A

N

N

D

N

S

T

E

F

F

Y

G

G

L

L

G

S

A

A

G

G

V

I

W

F

T

T

S

N

D

D

M

I

R

D

L

K

A

A

L

I

K

T

M

V

S

S

E

S

R

A

L

L

E

Q

A

S

G

G

S

T

V

V

W

W

V

V

N

N

T

C

Y

Y

R

S

D

V

I

V

S

S

Y

A

T

Q

T

C

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

N

L

G

G

V

E

A

Y

G

G

I

F

Y

H

E

E

Y

Y

L

T

Q

E

T

V

K

K

A

T

V

V

W

T

L

I

S

K

T

I

A

S

E

Q

E

K

IPWN 167:170 (≠ VPWN 151:154) binding
KPAE 193:196 (= KPAE 177:180) binding
GP 226:227 (= GP 210:211) binding
GS 246:247 (= GS 230:231) binding
ELG 269:271 (= ELG 252:254) binding
EQYEK 349:353 (≠ MQFEK 332:336) binding
EIF 400:402 (≠ EVF 387:389) binding

5ac0A Ovis aries aldehyde dehydrogenase 1a1 in complex with a duocarmycin analog (see paper)
43% identity, 97% coverage: 9:486/494 of query aligns to 16:492/494 of 5ac0A

query
sites
5ac0A

M

I

Y

F

I

I

D

N

G

N

Q

E

W

W

V

H

A

S

P

S

A

V

S

S

G

G

E

K

Y

K

I

F

E

P

T

V

V

F

D

N

P

P

F

A

T

T

A

E

R

E

P

K

W

L

A

C

L

E

V

V

P

E

R

E

G

G

N

D

A

K

E

E

D

D

A

V

D

D

R

K

A

A

V

V

R

K

A

A

A

A

H

R

R

Q

A

A

F

F

S

Q

Q

I

G

G

-

S

P

P

W

W

G

R

K

T

M

M

H

D

P

A

T

S

E

E

R

R

G

G

R

R

I

L

I

L

Q

N

R

K

F

L

A

A

A

D

L

L

I

I

E

E

E

R

H

D

A

R

D

L

A

L

L

L

A

A

D

T

I

M

E

E

V

A

R

M

D

N

N

G

G

G

R

K

L

L

L

F

A

S

E

N

-

A

M

Y

T

L

H
x
M

Q

D

I

L

R

G

Y

G

I

C

P

I

R

K

W

T

Y

L

H

R

Y

Y

Y

C

A

A

G

G

F

W

A

A

D

D

K

K

I

I

E

Q

G

G

T

R

L

T

H

I

P

P

C

M

D

D

K

G

P

N

A

F

L

F

S

T

F

Y

S

T

R

R

H

S

E

E

P

P

L

V

G

G

V

V

C

C

V

G

G

Q

I
|
I

V
x
I

P
|
P

W
|
W

N
|
N

A
x
F

P

P

L

L

L

L

L

M

F

F

S

L

L
x
W

K

K

A

I

A

G

P

P

A

A

L

L

A

S

A

C

G

G

N

N

T

T

L

V

V

V

M

V

K
|
K

P

P

A

A

E
|
E

F

Q

T

T

S

P

A

L

T

T

A

A

L

L

K

H

L

M

M

G

E

S

L

L

V

I

E

K

K

E

A

A

G

G

F

F

P

P

T

P

G

G

V

V

I

V

N

N

V

I

V

V

T

P

G

G

Y

Y

G
|
G

P

P

E

T

V

A

G
|
G

E
x
A

P

A

L

I

V

S

T

S

H

H

P

M

L

D

T

V

R

D

H

K

V

V

G

A

F
|
F

T

T

G
|
G

S
|
S

T

T

K

E

T
x
V

G

G

A

K

H

L

L

I

Y

K

S

E

L

A

A

A

A

G

K

K

-

S

D

N

V

L

K

K

R

R

V

V

S

S

L

L

E
|
E

L

L

G
|
G

G

G

K

K

S

S

P

P

N

C

I

I

V

V

F

F

G

A

D

D

A

A

D

D

L

L

D

D

N

N

A

A

V

V

R

E

G

F

V

A

V

H

G

Q

G

G

I

V

F

F

G
x
Y

A

H

V

Q

G

G

Q

Q

T
x
C

C
|
C

I

I

A

A

G

A

S

S

R

R

L

L

L

F

V

V

H

E

R

E

S

S

I

I

H

Y

D

D

E

E

F

F

L

V

E

R

K

R

L

S

A

V

V

E

F

R

T

A

K

K

T

K

A

Y

R

V

I

L

G

G

D

N

P

P

R

L

K

T

V

P

E

G

T

V

Q

S

I

Q

G

G

P

P

I

Q

A

I

N

D

S

K

M

E

Q
|
Q

F

Y

E

E

K
|
K

V

I

L

L

G

D

Y

L

I

I

D

E

I

S

A

G

R

K

R

K

E

E

G

G

A

A

E

K

L

L

I

E

L

C

G

G

G

G

G

G

R

P

P

W

D

G

L

-

E

-

E

-

C

-

G

N

T

K

G

G

Y

Y

F

F

I

I

E

Q

P

P

T

T

I

V

F

F

A

S

G

D

V

V

S

T

N

D

D

D

M

M

R

R

I

I

A

A

R

K

E

E

E
|
E

V

I

F

F

G

G

P

P

V

V

L

Q

S

Q

A

I

I

M

V

K

F

F

D

K

E

S

P

L

E

D

E

D

A

V

L

I

A

K

I

R

A

A

N

N

D

N

S

T

E

F

F

Y

G

G

L

L

G

S

A

A

G

G

V

I

W

F

T

T

S

N

D

D

M

I

R

D

L

K

A

A

L

I

K

T

M

V

S

S

E

S

R

A

L

L

E

Q

A

S

G

G

S

T

V

V

W

W

V

V

N

N

T

C

Y

Y

R

S

D

V

I

V

S

S

Y

A

T

Q

T

C

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

N

L

G

G

V

E

A

Y

G

G

I

F

Y

H

E

E

Y

Y

L

T

Q

E

T

V

K

K

A

T

V

V

W

T

L

I

S

K

T

I

A

S

E

Q

E

K

active site: N163 (= N154), K186 (= K177), E262 (= E252), C296 (= C286), E393 (= E387), E470 (= E464)
binding 1-[(1S)-1-methyl-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]hexan-1-one: M114 (≠ H105), F164 (≠ A155), W171 (≠ L162), Y290 (≠ G280), C295 (≠ T285), C296 (= C286)
binding nicotinamide-adenine-dinucleotide: I159 (= I150), I160 (≠ V151), P161 (= P152), W162 (= W153), K186 (= K177), E189 (= E180), G219 (= G210), G223 (= G214), A224 (≠ E215), F237 (= F228), G239 (= G230), S240 (= S231), V243 (≠ T234), G264 (= G254), C296 (= C286), Q343 (= Q333), K346 (= K336), E393 (= E387)

5abmA Sheep aldehyde dehydrogenase 1a1 (see paper)
43% identity, 97% coverage: 9:486/494 of query aligns to 16:492/494 of 5abmA

query
sites
5abmA

M

I

Y

F

I

I

D

N

G

N

Q

E

W

W

V

H

A

S

P

S

A

V

S

S

G

G

E

K

Y

K

I

F

E

P

T

V

V

F

D

N

P

P

F

A

T

T

A

E

R

E

P

K

W

L

A

C

L

E

V

V

P

E

R

E

G

G

N

D

A

K

E

E

D

D

A

V

D

D

R

K

A

A

V

V

R

K

A

A

A

A

H

R

R

Q

A

A

F

F

S

Q

Q

I

G

G

-

S

P

P

W

W

G

R

K

T

M

M

H

D

P

A

T

S

E

E

R

R

G

G

R

R

I

L

I

L

Q

N

R

K

F

L

A

A

A

D

L

L

I

I

E

E

E

R

H

D

A

R

D

L

A

L

L

L

A

A

D

T

I

M

E

E

V

A

R

M

D

N

N

G

G

G

R

K

L

L

L

F

A

S

E

N

-

A

M

Y

T

L

H

M

Q

D

I

L

R

G

Y

G

I

C

P

I

R

K

W

T

Y

L

H

R

Y

Y

Y

C

A

A

G

G

F

W

A

A

D

D

K

K

I

I

E

Q

G

G

T

R

L

T

H

I

P

P

C

M

D

D

K

G

P

N

A

F

L

F

S

T

F

Y

S

T

R

R

H

S

E

E

P

P

L

V

G

G

V

V

C

C

V

G

G

Q

I
|
I

V
x
I

P
|
P

W
|
W

N
|
N

A

F

P

P

L

L

L

L

L

M

F

F

S

L

L

W

K

K

A

I

A

G

P

P

A

A

L

L

A

S

A

C

G

G

N

N

T

T

L

V

V

V

M

V

K
|
K

P

P

A

A

E
|
E

F

Q

T

T

S

P

A

L

T

T

A

A

L

L

K

H

L

M

M

G

E

S

L

L

V

I

E

K

K

E

A

A

G

G

F

F

P

P

T

P

G

G

V

V

I

V

N

N

V

I

V

V

T

P

G

G

Y

Y

G
|
G

P

P

E

T

V

A

G
|
G

E

A

P

A

L

I

V

S

T

S

H

H

P

M

L

D

T

V

R

D

H

K

V

V

G

A

F
|
F

T

T

G
|
G

S
|
S

T

T

K

E

T
x
V

G

G

A

K

H

L

L

I

Y

K

S

E

L

A

A

A

A

G

K

K

-

S

D

N

V

L

K

K

R

R

V

V

S

S

L

L

E
|
E

L

L

G
|
G

G

G

K

K

S

S

P

P

N

C

I

I

V

V

F

F

G

A

D

D

A

A

D

D

L

L

D

D

N

N

A

A

V

V

R

E

G

F

V

A

V

H

G

Q

G

G

I

V

F

F

G

Y

A

H

V

Q

G

G

Q

Q

T

C

C
|
C

I

I

A

A

G

A

S

S

R

R

L

L

L

F

V

V

H

E

R

E

S

S

I

I

H

Y

D

D

E

E

F

F

L

V

E

R

K

R

L

S

A

V

V

E

F

R

T

A

K

K

T

K

A

Y

R

V

I

L

G

G

D

N

P

P

R

L

K

T

V

P

E

G

T

V

Q

S

I

Q

G

G

P

P

I

Q

A

I

N

D

S

K

M

E

Q
|
Q

F

Y

E

E

K
|
K

V

I

L

L

G

D

Y

L

I

I

D

E

I

S

A

G

R

K

R

K

E

E

G

G

A

A

E

K

L

L

I

E

L

C

G

G

G

G

G

G

R

P

P

W

D

G

L

-

E

-

E

-

C

-

G

N

T

K

G

G

Y

Y

F

F

I

I

E

Q

P

P

T

T

I

V

F

F

A

S

G

D

V

V

S

T

N

D

D

D

M

M

R

R

I

I

A

A

R

K

E

E

E
|
E

V

I

F
|
F

G

G

P

P

V

V

L

Q

S

Q

A

I

I

M

V

K

F

F

D

K

E

S

P

L

E

D

E

D

A

V

L

I

A

K

I

R

A

A

N

N

D

N

S

T

E

F

F

Y

G

G

L

L

G

S

A

A

G

G

V

I

W

F

T

T

S

N

D

D

M

I

R

D

L

K

A

A

L

I

K

T

M

V

S

S

E

S

R

A

L

L

E

Q

A

S

G

G

S

T

V

V

W

W

V

V

N

N

T

C

Y

Y

R

S

D

V

I

V

S

S

Y

A

T

Q

T

C

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

N

L

G

G

V

E

A

Y

G

G

I

F

Y

H

E

E

Y

Y

L

T

Q

E

T

V

K

K

A

T

V

V

W

T

L

I

S

K

T

I

A

S

E

Q

E

K

active site: N163 (= N154), K186 (= K177), E262 (= E252), C296 (= C286), E393 (= E387), E470 (= E464)
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 (≠ V151), P161 (= P152), W162 (= W153), K186 (= K177), E189 (= E180), G219 (= G210), G223 (= G214), F237 (= F228), G239 (= G230), S240 (= S231), V243 (≠ T234), G264 (= G254), Q343 (= Q333), K346 (= K336), E393 (= E387), F395 (= F389)

1bxsA Sheep liver class 1 aldehyde dehydrogenase with NAD bound (see paper)
43% identity, 97% coverage: 9:486/494 of query aligns to 16:492/494 of 1bxsA

query
sites
1bxsA

M

I

Y

F

I

I

D

N

G

N

Q

E

W

W

V

H

A

S

P

S

A

V

S

S

G

G

E

K

Y

K

I

F

E

P

T

V

V

F

D

N

P

P

F

A

T

T

A

E

R

E

P

K

W

L

A

C

L

E

V

V

P

E

R

E

G

G

N

D

A

K

E

E

D

D

A

V

D

D

R

K

A

A

V

V

R

K

A

A

A

A

H

R

R

Q

A

A

F

F

S

Q

Q

I

G

G

-

S

P

P

W

W

G

R

K

T

M

M

H

D

P

A

T

S

E

E

R

R

G

G

R

R

I

L

I

L

Q

N

R

K

F

L

A

A

A

D

L

L

I

I

E

E

E

R

H

D

A

R

D

L

A

L

L

L

A

A

D

T

I

M

E

E

V

A

R

M

D

N

N

G

G

G

R

K

L

L

L

F

A

S

E

N

-

A

M

Y

T

L

H

M

Q

D

I

L

R

G

Y

G

I

C

P

I

R

K

W

T

Y

L

H

R

Y

Y

Y

C

A

A

G

G

F

W

A

A

D

D

K

K

I

I

E

Q

G

G

T

R

L

T

H

I

P

P

C

M

D

D

K

G

P

N

A

F

L

F

S

T

F

Y

S

T

R

R

H

S

E

E

P

P

L

V

G

G

V

V

C

C

V

G

G

Q

I
|
I

V
x
I

P
|
P

W
|
W

N
|
N

A

F

P

P

L

L

L

L

L

M

F

F

S

L

L

W

K

K

A

I

A

G

P

P

A

A

L

L

A

S

A

C

G

G

N

N

T

T

L

V

V

V

M

V

K
|
K

P

P

A

A

E
|
E

F

Q

T

T

S

P

A

L

T

T

A

A

L

L

K

H

L

M

M

G

E

S

L

L

V

I

E

K

K

E

A

A

G

G

F

F

P

P

T

P

G

G

V

V

I

V

N

N

V

I

V

V

T

P

G

G

Y

Y

G
|
G

P

P

E

T

V

A

G
|
G

E

A

P

A

L

I

V

S

T

S

H

H

P

M

L

D

T

V

R

D

H

K

V

V

G

A

F
|
F

T

T

G
|
G

S
|
S

T

T

K

E

T
x
V

G

G

A

K

H

L

L

I

Y

K

S

E

L

A

A

A

A

G

K

K

-

S

D

N

V

L

K

K

R

R

V

V

S

S

L

L

E
|
E

L
|
L

G

G

G

G

K

K

S

S

P

P

N

C

I

I

V

V

F

F

G

A

D

D

A

A

D

D

L

L

D

D

N

N

A

A

V

V

R

E

G

F

V

A

V

H

G

Q

G

G

I

V

F

F

G

Y

A

H

V

Q

G

G

Q

Q

T

C

C
|
C

I

I

A

A

G

A

S

S

R

R

L

L

L

F

V

V

H

E

R

E

S

S

I

I

H

Y

D

D

E

E

F

F

L

V

E

R

K

R

L

S

A

V

V

E

F

R

T

A

K

K

T

K

A

Y

R

V

I

L

G

G

D

N

P

P

R

L

K

T

V

P

E

G

T

V

Q

S

I

Q

G

G

P

P

I

Q

A

I

N

D

S

K

M

E

Q
|
Q

F

Y

E

E

K
|
K

V

I

L

L

G

D

Y

L

I

I

D

E

I

S

A

G

R

K

R

K

E

E

G

G

A

A

E

K

L

L

I

E

L

C

G

G

G

G

G

G

R

P

P

W

D

G

L

-

E

-

E

-

C

-

G

N

T

K

G

G

Y

Y

F

F

I

I

E

Q

P

P

T

T

I

V

F

F

A

S

G

D

V

V

S

T

N

D

D

D

M

M

R

R

I

I

A

A

R

K

E

E

E
|
E

V

I

F
|
F

G

G

P

P

V

V

L

Q

S

Q

A

I

I

M

V

K

F

F

D

K

E

S

P

L

E

D

E

D

A

V

L

I

A

K

I

R

A

A

N

N

D

N

S

T

E

F

F

Y

G

G

L

L

G

S

A

A

G

G

V

I

W

F

T

T

S

N

D

D

M

I

R

D

L

K

A

A

L

I

K

T

M

V

S

S

E

S

R

A

L

L

E

Q

A

S

G

G

S

T

V

V

W

W

V

V

N

N

T

C

Y

Y

R

S

D

V

I

V

S

S

Y

A

T

Q

T

C

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

N

L

G

G

V

E

A

Y

G

G

I

F

Y

H

E

E

Y

Y

L

T

Q

E

T

V

K

K

A

T

V

V

W

T

L

I

S

K

T

I

A

S

E

Q

E

K

active site: N163 (= N154), K186 (= K177), E262 (= E252), C296 (= C286), E393 (= E387), E470 (= E464)
binding nicotinamide-adenine-dinucleotide: I159 (= I150), I160 (≠ V151), P161 (= P152), W162 (= W153), K186 (= K177), E189 (= E180), G219 (= G210), G223 (= G214), F237 (= F228), G239 (= G230), S240 (= S231), V243 (≠ T234), L263 (= L253), C296 (= C286), Q343 (= Q333), K346 (= K336), E393 (= E387), F395 (= F389)

5l13A Structure of aldh2 in complex with 2p3 (see paper)
43% identity, 97% coverage: 8:486/494 of query aligns to 15:492/494 of 5l13A

query
sites
5l13A

S

Q

M

I

Y

F

I

I

D

N

G

N

Q

E

W

W

V

H

A

D

P

A

A

V

S

S

G

R

E

K

Y

T

I

F

E

P

T

T

V

V

D

N

P

P

F

S

T

T

A

G

R

E

P

V

W

I

A

C

L

Q

V

V

P

A

R

E

G

G

N

D

A

K

E

E

D

D

A

V

D

D

R

K

A

A

V

V

R

K

A

A

A

A

H

R

R

A

A

A

F

F

S

Q

Q

L

G

G

-

S

P

P

W

W

G

R

K

R

M

M

H

D

P

A

T

S

E

H

R

R

G

G

R

R

I

L

I

L

Q

N

R

R

F

L

A

A

A

D

L

L

I

I

E

E

E

R

H

D

A

R

D

T

A

Y

L

L

A

A

D

A

I

L

E

E

V

T

R

L

D

D

N

N

G

G

R

K

-

P

L

Y

L

V

A

I

E

S

M

Y

T

L

H

V

Q

D

I

L

R

D

Y

M

I

V

P

L

R

K

W

C

Y

L

H

R

Y

Y

Y

Y

A

A

G

G

F

W

A

A

D

D

K

K

I

Y

E

H

G

G

T

K

L

T

H

I

P

P

C

I

D

D

K

G

P

D

A

F

L

F

S

S

F

Y

S

T

R

R

H

H

E

E

P

P

L

V

G

G

V

V

C

C

V

G

G

Q

I

I

V

I

P

P

W

W

N
|
N

A
x
F

P

P

L

L

L

L

L
x
M

F

Q

S

A

L
x
W

K

K

A

L

A

G

P

P

A

A

L

L

A

A

A

T

G

G

N

N

T

V

L

V

V

V

M

M

K
|
K

P

V

A

A

E

E

F

Q

T

T

S

P

A

L

T

T

A

A

L

L

K

Y

L

V

M

A

E

N

L

L

V

I

E

K

K

E

A

A

G

G

F

F

P

P

T

P

G

G

V

V

I

V

N

N

V

I

V

V

T

P

G

G

Y

F

G

G

P

P

E

T

V

A

G

G

E

A

P

A

L

I

V

A

T

S

H

H

P

E

L

D

T

V

R

D

H

K

V

V

G

A

F

F

T

T

G

G

S

S

T

T

K

E

T

I

G

G

A

R

H

V

L

I

Y

Q

S

V

L

A

A

A

-

G

A

S

K

S

D

N

V

L

K

K

R

R

V

V

S

T

L

L

E
|
E

L

L

G

G

G

G

K

K

S

S

P

P

N

N

I

I

V

I

F

M

G

S

D

D

A

A

D

D

L

M

D

D

N

W

A

A

V

V

R

E

G

Q

V

A

V

H

G

F

G

A

I

L

F

F

G
x
F

A

N

V

Q

G

G

Q

Q

T
x
C

C
|
C

I
x
C

A

A

G

G

S

S

R

R

L

T

L

F

V

V

H

Q

R

E

S

D

I

I

H

Y

D

D

E

E

F

F

L

V

E

E

K

R

L

S

A

V

V

A

F

R

T

A

K

K

T

S

A

R

R

V

I

V

G

G

D

N

P

P

R

F

K

D

V

S

E

K

T

T

Q

E

I

Q

G

G

P

P

I

Q

A

V

N

D

S

E

M

T

Q

Q

F

F

E

K

K

K

V

I

L

L

G

G

Y

Y

I

I

D

N

I

T

A

G

R

K

R

Q

E

E

G

G

A

A

E

K

L

L

I

L

L

C

G

G

G

G

G

G

R

I

P

A

D

-

L

-

E

-

E

-

C

A

G

D

T

R

G

G

Y

Y

F

F

I

I

E

Q

P

P

T

T

I

V

F

F

A

G

G

D

V

V

S

Q

N

D

D

G

M

M

R

T

I

I

A

A

R

K

E

E

E
|
E

V

I

F

F

G

G

P

P

V

V

L

M

S

Q

A

I

I

L

V

K

F

F

D

K

E

T

P

I

E

E

E

E

A

V

L

V

A

G

I

R

A

A

N

N

D

N

S

S

E

T

F

Y

G

G

L

L

G

A

A

A

G

A

V

V

W

F

T

T

S

K

D

D

M

L

R

D

L

K

A

A

L

N

K

Y

M

L

S

S

E

Q

R

A

L

L

E

Q

A

A

G

G

S

T

V

V

W

W

V

V

N

N

T

C

Y

Y

R
x
D

D

V

I
x
F

S

G

Y

A

T

Q

T

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

N

L

G

G

V

E

A

Y

G

G

I

L

Y

Q

E

A

Y

Y

L

T

Q

E

T

V

K

K

A

T

V

V

W

T

L

V

S

K

T

V

A

P

E

Q

E

K

active site: N163 (= N154), K186 (= K177), 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 (≠ A155), M168 (≠ L159), W171 (≠ L162), F290 (≠ G280), C295 (≠ T285), C296 (= C286), C297 (≠ I287), D451 (≠ R445), F453 (≠ I447)

4kwgA Crystal structure analysis of aldh2+aldib13 (see paper)
43% identity, 97% coverage: 8:486/494 of query aligns to 15:492/494 of 4kwgA

query
sites
4kwgA

S

Q

M

I

Y

F

I

I

D

N

G

N

Q

E

W

W

V

H

A

D

P

A

A

V

S

S

G

R

E

K

Y

T

I

F

E

P

T

T

V

V

D

N

P

P

F

S

T

T

A

G

R

E

P

V

W

I

A

C

L

Q

V

V

P

A

R

E

G

G

N

D

A

K

E

E

D

D

A

V

D

D

R

K

A

A

V

V

R

K

A

A

A

A

H

R

R

A

A

A

F

F

S

Q

Q

L

G

G

-

S

P

P

W

W

G

R

K

R

M

M

H

D

P

A

T

S

E

H

R

R

G

G

R

R

I

L

I

L

Q

N

R

R

F

L

A

A

A

D

L

L

I

I

E

E

E

R

H

D

A

R

D

T

A

Y

L

L

A

A

D

A

I

L

E

E

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T

R

L

D

D

N

N

G

G

R

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-

P

L

Y

L

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A

I

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M

Y

T

L

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D

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P

L

V

G

G

V

V

C

C

V

G

G

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I

I

V

I

P

P

W

W

N
|
N

A
x
F

P

P

L

L

L

L

L
x
M

F

Q

S

A

L

W

K

K

A

L

A

G

P

P

A

A

L

L

A

A

A

T

G

G

N

N

T

V

L

V

V

V

M

M

K
|
K

P

V

A

A

E

E

F

Q

T

T

S

P

A

L

T

T

A

A

L

L

K

Y

L

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M

A

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L

L

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K

K

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A

A

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G

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F

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G

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V

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N

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K

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L

L

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|
E

L

L

G

G

G

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K

K

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S

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P

N

N

I

I

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I

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M

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D

D

A

A

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D

L

M

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W

A

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A

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G

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F

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G

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x
C

C
|
C

I
x
C

A

A

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G

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S

R

R

L

T

L

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V

V

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F

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K

K

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L

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G

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Y

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K

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G

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A

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K

L

L

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G

G

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G

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-

L

-

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-

E

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A

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Y

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F

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V

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M

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A

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|
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P

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V

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N

D

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Y

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L

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A

A

A

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A

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V

W

F

T

T

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K

D

D

M

L

R

D

L

K

A

A

L

N

K

Y

M

L

S

S

E

Q

R

A

L

L

E

Q

A

A

G

G

S

T

V

V

W

W

V

V

N

N

T

C

Y

Y

R
x
D

D

V

I
x
F

S

G

Y

A

T

Q

T

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

N

L

G

G

V

E

A

Y

G

G

I

L

Y

Q

E

A

Y

Y

L

T

Q

E

T

V

K

K

A

T

V

V

W

T

L

V

S

K

T

V

A

P

E

Q

E

K

active site: N163 (= N154), K186 (= K177), E262 (= E252), C296 (= C286), E393 (= E387), E470 (= E464)
binding 7-bromo-5-methyl-1H-indole-2,3-dione: F164 (≠ A155), M168 (≠ L159), C295 (≠ T285), C296 (= C286), C297 (≠ I287), D451 (≠ R445), F453 (≠ I447)

4kwfA Crystal structure analysis of aldh2+aldib33 (see paper)
43% identity, 97% coverage: 8:486/494 of query aligns to 15:492/494 of 4kwfA

query
sites
4kwfA

S

Q

M

I

Y

F

I

I

D

N

G

N

Q

E

W

W

V

H

A

D

P

A

A

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S

S

G

R

E

K

Y

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V

D

N

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T

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A

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V

W

I

A

C

L

Q

V

V

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A

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G

G

N

D

A

K

E

E

D

D

A

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D

D

R

K

A

A

V

V

R

K

A

A

A

A

H

R

R

A

A

A

F

F

S

Q

Q

L

G

G

-

S

P

P

W

W

G

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K

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M

M

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D

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A

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G

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R

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I

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N

R

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L

A

A

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L

L

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I

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E

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A

R

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A

Y

L

L

A

A

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A

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L

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L

D

D

N

N

G

G

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K

-

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L

Y

L

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A

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M

Y

T

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I

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M

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W

C

Y

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Y

Y

Y

Y

A

A

G

G

F

W

A

A

D

D

K

K

I

Y

E

H

G

G

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K

L

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I

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C

I

D

D

K

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A

F

L

F

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R

R

H

H

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E

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P

L

V

G

G

V

V

C

C

V

G

G

Q

I

I

V

I

P

P

W

W

N
|
N

A
x
F

P

P

L

L

L

L

L
x
M

F

Q

S

A

L
x
W

K

K

A

L

A

G

P

P

A

A

L

L

A

A

A

T

G

G

N

N

T

V

L

V

V

V

M

M

K
|
K

P

V

A

A

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E

F

Q

T

T

S

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A

L

T

T

A

A

L

L

K

Y

L

V

M

A

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N

L

L

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I

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K

K

E

A

A

G

G

F

F

P

P

T

P

G

G

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V

I

V

N

N

V

I

V

V

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G

G

Y

F

G

G

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P

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A

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G

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A

L

I

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A

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H

H

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D

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V

R

D

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K

V

V

G

A

F

F

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T

G

G

S

S

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T

K

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I

G

G

A

R

H

V

L

I

Y

Q

S

V

L

A

A

A

-

G

A

S

K

S

D

N

V

L

K

K

R

R

V

V

S

T

L

L

E
|
E

L

L

G

G

G

G

K

K

S

S

P

P

N

N

I

I

V

I

F

M

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D

D

A

A

D

D

L

M

D

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W

A

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A

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F

G

A

I

L

F

F

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A

N

V

Q

G

G

Q

Q

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x
C

C
|
C

I
x
C

A

A

G

G

S

S

R

R

L

T

L

F

V

V

H

Q

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V

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K

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F

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K

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I

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K

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A

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K

L

L

I

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L

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G

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G

G

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L

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A

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Y

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F

I

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F

F

A

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G

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V

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N

D

D

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M

M

R

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I

I

A

A

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E

E

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|
E

V

I

F

F

G

G

P

P

V

V

L

M

S

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A

I

I

L

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K

F

F

D

K

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T

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I

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V

L

V

A

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I

R

A

A

N

N

D

N

S

S

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T

F

Y

G

G

L

L

G

A

A

A

G

A

V

V

W

F

T

T

S

K

D

D

M

L

R

D

L

K

A

A

L

N

K

Y

M

L

S

S

E

Q

R

A

L

L

E

Q

A

A

G

G

S

T

V

V

W

W

V

V

N

N

T

C

Y

Y

R
x
D

D

V

I
x
F

S

G

Y

A

T

Q

T

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

N

L

G

G

V

E

A

Y

G

G

I

L

Y

Q

E

A

Y

Y

L

T

Q

E

T

V

K

K

A

T

V

V

W

T

L

V

S

K

T

V

A

P

E

Q

E

K

active site: N163 (= N154), K186 (= K177), E262 (= E252), C296 (= C286), E393 (= E387), E470 (= E464)
binding 1-benzyl-1H-indole-2,3-dione: F164 (≠ A155), M168 (≠ L159), W171 (≠ L162), E262 (= E252), C295 (≠ T285), C296 (= C286), C297 (≠ I287), D451 (≠ R445), F453 (≠ I447), 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)
43% identity, 97% coverage: 8:486/494 of query aligns to 15:492/494 of 3sz9A

query
sites
3sz9A

S

Q

M

I

Y

F

I

I

D

N

G

N

Q

E

W

W

V

H

A

D

P

A

A

V

S

S

G

R

E

K

Y

T

I

F

E

P

T

T

V

V

D

N

P

P

F

S

T

T

A

G

R

E

P

V

W

I

A

C

L

Q

V

V

P

A

R

E

G

G

N

D

A

K

E

E

D

D

A

V

D

D

R

K

A

A

V

V

R

K

A

A

A

A

H

R

R

A

A

A

F

F

S

Q

Q

L

G

G

-

S

P

P

W

W

G

R

K

R

M

M

H

D

P

A

T

S

E

H

R

R

G

G

R

R

I

L

I

L

Q

N

R

R

F

L

A

A

A

D

L

L

I

I

E

E

E

R

H

D

A

R

D

T

A

Y

L

L

A

A

D

A

I

L

E

E

V

T

R

L

D

D

N

N

G

G

R

K

-

P

L

Y

L

V

A

I

E

S

M

Y

T

L

H

V

Q

D

I

L

R

D

Y

M

I

V

P

L

R

K

W

C

Y

L

H

R

Y

Y

Y

Y

A

A

G

G

F

W

A

A

D

D

K

K

I

Y

E

H

G

G

T

K

L

T

H

I

P

P

C

I

D

D

K

G

P

D

A

F

L

F

S

S

F

Y

S

T

R

R

H

H

E

E

P

P

L

V

G

G

V

V

C

C

V

G

G

Q

I

I

V

I

P

P

W

W

N
|
N

A
x
F

P

P

L

L

L

L

L

M

F

Q

S

A

L

W

K

K

A

L

A

G

P

P

A

A

L

L

A

A

A

T

G

G

N

N

T

V

L

V

V

V

M

M

K
|
K

P

V

A

A

E

E

F

Q

T

T

S

P

A

L

T

T

A

A

L

L

K

Y

L

V

M

A

E

N

L

L

V

I

E

K

K

E

A

A

G

G

F

F

P

P

T

P

G

G

V

V

I

V

N

N

V

I

V

V

T

P

G

G

Y

F

G

G

P

P

E

T

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A

G

G

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A

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A

L

I

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A

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S

H

H

P

E

L

D

T

V

R

D

H

K

V

V

G

A

F

F

T

T

G

G

S

S

T

T

K

E

T

I

G

G

A

R

H

V

L

I

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Q

S

V

L

A

A

A

-

G

A

S

K

S

D

N

V

L

K

K

R

R

V

V

S

T

L

L

E
|
E

L

L

G

G

G

G

K

K

S

S

P

P

N

N

I

I

V

I

F

M

G

S

D

D

A

A

D

D

L

M

D

D

N

W

A

A

V

V

R

E

G

Q

V

A

V

H

G

F

G

A

I

L

F

F

G

F

A

N

V

Q

G

G

Q

Q

T
x
C

C
|
C

I

C

A

A

G

G

S

S

R

R

L

T

L

F

V

V

H

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A

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V

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A

K

K

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G

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N

P

P

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S

E

K

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T

Q

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G

G

P

P

I

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A

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N

D

S

E

M

T

Q

Q

F

F

E

K

K

K

V

I

L

L

G

G

Y

Y

I

I

D

N

I

T

A

G

R

K

R

Q

E

E

G

G

A

A

E

K

L

L

I

L

L

C

G

G

G

G

G

G

R

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P

A

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-

L

-

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-

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C

A

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Y

F

F

I

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D

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V

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D

D

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M

M

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A

A

R

K

E

E

E
|
E

V

I

F

F

G

G

P

P

V

V

L

M

S

Q

A

I

I

L

V

K

F

F

D

K

E

T

P

I

E

E

E

E

A

V

L

V

A

G

I

R

A

A

N

N

D

N

S

S

E

T

F

Y

G

G

L

L

G

A

A

A

G

A

V

V

W

F

T

T

S

K

D

D

M

L

R

D

L

K

A

A

L

N

K

Y

M

L

S

S

E

Q

R

A

L

L

E

Q

A

A

G

G

S

T

V

V

W

W

V

V

N

N

T

C

Y

Y

R
x
D

D

V

I
x
F

S

G

Y

A

T

Q

T

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

N

L

G

G

V

E

A

Y

G

G

I

L

Y

Q

E

A

Y

Y

L

T

Q

E

T

V

K

K

A

T

V

V

W

T

L

V

S

K

T

V

A

P

E

Q

E

K

active site: N163 (= N154), K186 (= K177), E262 (= E252), C296 (= C286), E393 (= E387), E470 (= E464)
binding 1-(4-ethylphenyl)propan-1-one: F164 (≠ A155), C295 (≠ T285), C296 (= C286), D451 (≠ R445), F453 (≠ I447), F459 (= F453)

3injA Human mitochondrial aldehyde dehydrogenase complexed with agonist alda-1 (see paper)
43% identity, 97% coverage: 8:486/494 of query aligns to 15:492/494 of 3injA

query
sites
3injA

S

Q

M

I

Y

F

I

I

D

N

G

N

Q

E

W

W

V

H

A

D

P

A

A

V

S

S

G

R

E

K

Y

T

I

F

E

P

T

T

V

V

D

N

P

P

F

S

T

T

A

G

R

E

P

V

W

I

A

C

L

Q

V

V

P

A

R

E

G

G

N

D

A

K

E

E

D

D

A

V

D

D

R

K

A

A

V

V

R

K

A

A

A

A

H

R

R

A

A

A

F

F

S

Q

Q

L

G

G

-

S

P

P

W

W

G

R

K

R

M

M

H

D

P

A

T

S

E

H

R

R

G

G

R

R

I

L

I

L

Q

N

R

R

F

L

A

A

A

D

L

L

I

I

E

E

E

R

H

D

A

R

D

T

A

Y

L

L

A

A

D

A

I

L

E

E

V

T

R

L

D

D

N

N

G

G

R

K

-

P

L

Y

L

V

A

I

E

S

M

Y

T

L

H

V

Q

D

I

L

R

D

Y
x
M

I

V

P

L

R

K

W

C

Y

L

H

R

Y

Y

Y

Y

A

A

G

G

F

W

A

A

D

D

K

K

I

Y

E

H

G

G

T

K

L

T

H

I

P

P

C

I

D

D

K

G

P

D

A

F

L

F

S

S

F

Y

S

T

R

R

H

H

E

E

P

P

L

V

G

G

V

V

C

C

V

G

G

Q

I

I

V

I

P

P

W

W

N
|
N

A
x
F

P

P

L

L

L
|
L

L

M

F

Q

S

A

L

W

K

K

A

L

A

G

P

P

A

A

L

L

A

A

A

T

G

G

N

N

T

V

L

V

V

V

M

M

K
|
K

P

V

A

A

E

E

F

Q

T

T

S

P

A

L

T

T

A

A

L

L

K

Y

L

V

M

A

E

N

L

L

V

I

E

K

K

E

A

A

G

G

F

F

P

P

T

P

G

G

V

V

I

V

N

N

V

I

V

V

T

P

G

G

Y

F

G

G

P

P

E

T

V

A

G

G

E

A

P

A

L

I

V

A

T

S

H

H

P

E

L

D

T

V

R

D

H

K

V

V

G

A

F

F

T

T

G

G

S

S

T

T

K

E

T

I

G

G

A

R

H

V

L

I

Y

Q

S

V

L

A

A

A

-

G

A

S

K

S

D

N

V

L

K

K

R

R

V

V

S

T

L

L

E
|
E

L

L

G

G

G

G

K

K

S

S

P

P

N

N

I

I

V

I

F

M

G

S

D

D

A

A

D

D

L

M

D

D

N

W

A

A

V

V

R

E

G

Q

V

A

V

H

G
x
F

G

A

I

L

F

F

G
x
F

A

N

V

Q

G

G

Q

Q

T

C

C
|
C

I

C

A

A

G

G

S

S

R

R

L

T

L

F

V

V

H

Q

R

E

S

D

I

I

H

Y

D

D

E

E

F

F

L

V

E

E

K

R

L

S

A

V

V

A

F

R

T

A

K

K

T

S

A

R

R

V

I

V

G

G

D

N

P

P

R

F

K

D

V

S

E

K

T

T

Q

E

I

Q

G

G

P

P

I

Q

A

V

N

D

S

E

M

T

Q

Q

F

F

E

K

K

K

V

I

L

L

G

G

Y

Y

I

I

D

N

I

T

A

G

R

K

R

Q

E

E

G

G

A

A

E

K

L

L

I

L

L

C

G

G

G

G

G

G

R

I

P

A

D

-

L

-

E

-

E

-

C

A

G

D

T

R

G

G

Y

Y

F

F

I

I

E

Q

P

P

T

T

I

V

F

F

A

G

G

D

V

V

S

Q

N

D

D

G

M

M

R

T

I

I

A

A

R

K

E

E

E
|
E

V

I

F

F

G

G

P

P

V

V

L

M

S

Q

A

I

I

L

V

K

F

F

D

K

E

T

P

I

E

E

E

E

A

V

L

V

A

G

I

R

A

A

N

N

D

N

S

S

E

T

F

Y

G

G

L

L

G

A

A

A

G

A

V

V

W

F

T

T

S

K

D

D

M

L

R

D

L

K

A

A

L

N

K

Y

M

L

S

S

E

Q

R

A

L

L

E

Q

A

A

G

G

S

T

V

V

W

W

V

V

N

N

T

C

Y

Y

R
x
D

D

V

I
x
F

S

G

Y

A

T

Q

T

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

N

L

G

G

V

E

A

Y

G

G

I

L

Y

Q

E

A

Y

Y

L

T

Q

E

T

V

K

K

A

T

V

V

W

T

L

V

S

K

T

V

A

P

E

Q

E

K

active site: N163 (= N154), K186 (= K177), E262 (= E252), C296 (= C286), E393 (= E387), E470 (= E464)
binding N-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide: M118 (≠ Y109), F164 (≠ A155), L167 (= L158), F286 (≠ G276), F290 (≠ G280), D451 (≠ R445), F453 (≠ I447)

2vleA The structure of daidzin, a naturally occurring anti alcohol- addiction agent, in complex with human mitochondrial aldehyde dehydrogenase (see paper)
43% identity, 97% coverage: 8:486/494 of query aligns to 15:492/494 of 2vleA

query
sites
2vleA

S

Q

M

I

Y

F

I

I

D

N

G

N

Q

E

W

W

V

H

A

D

P

A

A

V

S

S

G

R

E

K

Y

T

I

F

E

P

T

T

V

V

D

N

P

P

F

S

T

T

A

G

R

E

P

V

W

I

A

C

L

Q

V

V

P

A

R

E

G

G

N

D

A

K

E

E

D

D

A

V

D

D

R

K

A

A

V

V

R

K

A

A

A

A

H

R

R

A

A

A

F

F

S

Q

Q

L

G

G

-

S

P

P

W

W

G

R

K

R

M

M

H

D

P

A

T

S

E

H

R

R

G

G

R

R

I

L

I

L

Q

N

R

R

F

L

A

A

A

D

L

L

I

I

E

E

E

R

H

D

A

R

D

T

A

Y

L

L

A

A

D

A

I

L

E

E

V

T

R

L

D

D

N

N

G

G

R

K

-

P

L

Y

L

V

A

I

E

S

M

Y

T

L

H

V

Q

D

I

L

R

D

Y
x
M

I

V

P

L

R

K

W

C

Y

L

H

R

Y

Y

Y

Y

A

A

G

G

F

W

A

A

D

D

K

K

I

Y

E

H

G

G

T

K

L

T

H

I

P

P

C

I

D

D

K

G

P

D

A

F

L

F

S

S

F

Y

S

T

R

R

H

H

E

E

P

P

L

V

G

G

V

V

C

C

V

G

G

Q

I

I

V

I

P

P

W

W

N
|
N

A
x
F

P

P

L

L

L

L

L
x
M

F

Q

S

A

L
x
W

K

K

A

L

A

G

P

P

A

A

L

L

A

A

A

T

G

G

N

N

T

V

L

V

V

V

M

M

K
|
K

P

V

A

A

E

E

F

Q

T

T

S

P

A

L

T

T

A

A

L

L

K

Y

L

V

M

A

E

N

L

L

V

I

E

K

K

E

A

A

G

G

F

F

P

P

T

P

G

G

V

V

I

V

N

N

V

I

V

V

T

P

G

G

Y

F

G

G

P

P

E

T

V

A

G

G

E

A

P

A

L

I

V

A

T

S

H

H

P

E

L

D

T

V

R

D

H

K

V

V

G

A

F

F

T

T

G

G

S

S

T

T

K

E

T

I

G

G

A

R

H

V

L

I

Y

Q

S

V

L

A

A

A

-

G

A

S

K

S

D

N

V

L

K

K

R

R

V

V

S

T

L

L

E
|
E

L

L

G

G

G

G

K

K

S

S

P

P

N

N

I

I

V

I

F

M

G

S

D

D

A

A

D

D

L

M

D

D

N

W

A

A

V

V

R

E

G

Q

V

A

V

H

G
x
F

G

A

I

L

F

F

G
x
F

A

N

V

Q

G

G

Q

Q

T
x
C

C
|
C

I

C

A

A

G

G

S

S

R

R

L

T

L

F

V

V

H

Q

R

E

S

D

I

I

H

Y

D

D

E

E

F

F

L

V

E

E

K

R

L

S

A

V

V

A

F

R

T

A

K

K

T

S

A

R

R

V

I

V

G

G

D

N

P

P

R

F

K

D

V

S

E

K

T

T

Q

E

I

Q

G

G

P

P

I

Q

A

V

N

D

S

E

M

T

Q

Q

F

F

E

K

K

K

V

I

L

L

G

G

Y

Y

I

I

D

N

I

T

A

G

R

K

R

Q

E

E

G

G

A

A

E

K

L

L

I

L

L

C

G

G

G

G

G

G

R

I

P

A

D

-

L

-

E

-

E

-

C

A

G

D

T

R

G

G

Y

Y

F

F

I

I

E

Q

P

P

T

T

I

V

F

F

A

G

G

D

V

V

S

Q

N

D

D

G

M

M

R

T

I

I

A

A

R

K

E

E

E
|
E

V

I

F

F

G

G

P

P

V

V

L

M

S

Q

A

I

I

L

V

K

F

F

D

K

E

T

P

I

E

E

E

E

A

V

L

V

A

G

I

R

A

A

N

N

D

N

S

S

E

T

F

Y

G

G

L

L

G

A

A

A

G

A

V

V

W

F

T

T

S

K

D

D

M

L

R

D

L

K

A

A

L

N

K

Y

M

L

S

S

E

Q

R

A

L

L

E

Q

A

A

G

G

S

T

V

V

W

W

V

V

N

N

T

C

Y

Y

R
x
D

D
x
V

I
x
F

S

G

Y

A

T

Q

T

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

N

L

G

G

V

E

A

Y

G

G

I

L

Y

Q

E

A

Y

Y

L

T

Q

E

T

V

K

K

A

T

V

V

W

T

L

V

S

K

T

V

A

P

E

Q

E

K

active site: N163 (= N154), K186 (= K177), E262 (= E252), C296 (= C286), E393 (= E387), E470 (= E464)
binding daidzin: M118 (≠ Y109), F164 (≠ A155), M168 (≠ L159), W171 (≠ L162), F286 (≠ G276), F290 (≠ G280), C295 (≠ T285), C296 (= C286), D451 (≠ R445), V452 (≠ D446), F453 (≠ I447)

1o01B Human mitochondrial aldehyde dehydrogenase complexed with crotonaldehyde, NAD(h) and mg2+ (see paper)
43% identity, 97% coverage: 8:486/494 of query aligns to 15:492/494 of 1o01B

query
sites
1o01B

S

Q

M

I

Y

F

I

I

D

N

G

N

Q

E

W

W

V

H

A

D

P

A

A

V

S

S

G

R

E

K

Y

T

I

F

E

P

T

T

V

V

D

N

P

P

F

S

T

T

A

G

R

E

P

V

W

I

A

C

L

Q

V

V

P

A

R

E

G

G

N

D

A

K

E

E

D

D

A

V

D

D

R

K

A

A

V

V

R

K

A

A

A

A

H

R

R

A

A

A

F

F

S

Q

Q

L

G

G

-

S

P

P

W

W

G

R

K

R

M

M

H

D

P

A

T

S

E

H

R

R

G

G

R

R

I

L

I

L

Q

N

R

R

F

L

A

A

A

D

L

L

I

I

E

E

E

R

H

D

A

R

D

T

A

Y

L

L

A

A

D

A

I

L

E

E

V

T

R

L

D

D

N

N

G

G

R

K

-

P

L

Y

L

V

A

I

E

S

M

Y

T

L

H

V

Q

D

I

L

R

D

Y

M

I

V

P

L

R

K

W

C

Y

L

H

R

Y

Y

Y

Y

A

A

G

G

F

W

A

A

D

D

K

K

I

Y

E

H

G

G

T

K

L

T

H

I

P

P

C

I

D

D

K

G

P

D

A

F

L

F

S

S

F

Y

S

T

R

R

H

H

E

E

P

P

L

V

G

G

V

V

C

C

V

G

G

Q

I
|
I

V
x
I

P
|
P

W
|
W

N
|
N

A

F

P

P

L

L

L

L

L

M

F

Q

S

A

L

W

K

K

A

L

A

G

P

P

A

A

L

L

A

A

A

T

G

G

N

N

T

V

L

V

V

V

M

M

K
|
K

P

V

A

A

E
|
E

F

Q

T

T

S

P

A

L

T

T

A

A

L

L

K

Y

L

V

M

A

E

N

L

L

V

I

E

K

K

E

A

A

G

G

F

F

P

P

T

P

G

G

V

V

I

V

N

N

V

I

V

V

T

P

G

G

Y

F

G
|
G

P

P

E

T

V

A

G
|
G

E
x
A

P

A

L

I

V

A

T

S

H

H

P

E

L

D

T

V

R

D

H

K

V

V

G

A

F
|
F

T

T

G
|
G

S
|
S

T

T

K

E

T
x
I

G

G

A

R

H

V

L

I

Y

Q

S

V

L

A

A

A

-

G

A

S

K

S

D

N

V

L

K

K

R

R

V

V

S

T

L

L

E
|
E

L
|
L

G
|
G

G

G

K

K

S

S

P

P

N

N

I

I

V

I

F

M

G

S

D

D

A

A

D

D

L

M

D

D

N

W

A

A

V

V

R

E

G

Q

V

A

V

H

G

F

G

A

I

L

F

F

G

F

A

N

V

Q

G

G

Q

Q

T

C

C
|
C

I
x
C

A

A

G

G

S

S

R

R

L

T

L

F

V

V

H

Q

R

E

S

D

I

I

H

Y

D

D

E

E

F

F

L

V

E

E

K

R

L

S

A

V

V

A

F

R

T

A

K

K

T

S

A

R

R

V

I

V

G

G

D

N

P

P

R

F

K

D

V

S

E

K

T

T

Q

E

I

Q

G

G

P

P

I

Q

A

V

N

D

S

E

M

T

Q
|
Q

F

F

E

K

K

K

V

I

L

L

G

G

Y

Y

I

I

D

N

I

T

A

G

R

K

R

Q

E

E

G

G

A

A

E

K

L

L

I

L

L

C

G

G

G

G

G

G

R

I

P

A

D

-

L

-

E

-

E

-

C

A

G

D

T

R

G

G

Y

Y

F

F

I

I

E

Q

P

P

T

T

I

V

F

F

A

G

G

D

V

V

S

Q

N

D

D

G

M

M

R

T

I

I

A

A

R

K

E

E

E
|
E

V

I

F
|
F

G

G

P

P

V

V

L

M

S

Q

A

I

I

L

V

K

F

F

D

K

E

T

P

I

E

E

E

E

A

V

L

V

A

G

I

R

A

A

N

N

D

N

S

S

E

T

F

Y

G

G

L

L

G

A

A

A

G

A

V

V

W

F

T

T

S

K

D

D

M

L

R

D

L

K

A

A

L

N

K

Y

M

L

S

S

E

Q

R

A

L

L

E

Q

A

A

G

G

S

T

V

V

W

W

V

V

N

N

T

C

Y

Y

R

D

D

V

I
x
F

S

G

Y

A

T

Q

T

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

N

L

G

G

V

E

A

Y

G

G

I

L

Y

Q

E

A

Y

Y

L

T

Q

E

T

V

K

K

A

T

V

V

W

T

L

V

S

K

T

V

A

P

E

Q

E

K

active site: N163 (= N154), K186 (= K177), E262 (= E252), C296 (= C286), E393 (= E387), E470 (= E464)
binding (2e)-but-2-enal: C296 (= C286), C297 (≠ I287), F453 (≠ I447)
binding nicotinamide-adenine-dinucleotide: I159 (= I150), I160 (≠ V151), P161 (= P152), W162 (= W153), K186 (= K177), E189 (= E180), G219 (= G210), G223 (= G214), A224 (≠ E215), F237 (= F228), G239 (= G230), S240 (= S231), I243 (≠ T234), L263 (= L253), G264 (= G254), C296 (= C286), Q343 (= Q333), E393 (= E387), F395 (= F389)

1cw3A Human mitochondrial aldehyde dehydrogenase complexed with NAD+ and mn2+ (see paper)
43% identity, 97% coverage: 8:486/494 of query aligns to 15:492/494 of 1cw3A

query
sites
1cw3A

S

Q

M

I

Y

F

I

I

D

N

G

N

Q

E

W

W

V

H

A

D

P

A

A

V

S

S

G

R

E

K

Y

T

I

F

E

P

T

T

V
|
V

D

N

P

P

F

S

T

T

A

G

R

E

P

V

W

I

A

C

L

Q

V

V

P

A

R

E

G

G

N

D

A

K

E

E

D

D

A

V

D

D

R

K

A

A

V

V

R

K

A

A

A

A

H

R

R

A

A

A

F

F

S

Q

Q

L

G

G

-

S

P

P

W

W

G

R

K

R

M

M

H

D

P

A

T

S

E

H

R

R

G

G

R

R

I

L

I

L

Q

N

R

R

F

L

A

A

A

D

L

L

I

I

E

E

E

R

H

D

A

R

D

T

A

Y

L

L

A

A

D

A

I

L

E

E

V

T

R

L

D
|
D

N

N

G

G

R

K

-

P

L

Y

L

V

A

I

E

S

M

Y

T

L

H

V

Q

D

I

L

R

D

Y

M

I

V

P

L

R

K

W

C

Y

L

H

R

Y

Y

Y

Y

A

A

G

G

F

W

A

A

D

D

K

K

I

Y

E

H

G

G

T

K

L

T

H

I

P

P

C

I

D

D

K

G

P

D

A

F

L

F

S

S

F

Y

S

T

R

R

H

H

E

E

P

P

L

V

G

G

V

V

C

C

V

G

G

Q

I
|
I

V
x
I

P
|
P

W
|
W

N
|
N

A

F

P

P

L

L

L

L

L

M

F

Q

S

A

L

W

K

K

A

L

A

G

P

P

A

A

L

L

A

A

A

T

G

G

N

N

T

V

L

V

V

V

M

M

K
|
K

P

V

A

A

E

E

F
x
Q

T

T

S

P

A

L

T

T

A

A

L

L

K

Y

L

V

M

A

E

N

L

L

V

I

E

K

K

E

A

A

G

G

F

F

P

P

T

P

G

G

V

V

I

V

N

N

V

I

V

V

T

P

G

G

Y

F

G
|
G

P

P

E

T

V

A

G
|
G

E
x
A

P

A

L

I

V

A

T

S

H

H

P

E

L

D

T

V

R

D

H

K

V

V

G

A

F
|
F

T

T

G
|
G

S
|
S

T

T

K

E

T
x
I

G

G

A

R

H

V

L

I

Y

Q

S

V

L

A

A

A

-

G

A

S

K

S

D

N

V

L

K

K

R

R

V

V

S

T

L

L

E
|
E

L
|
L

G
|
G

G

G

K

K

S

S

P

P

N

N

I

I

V

I

F

M

G

S

D

D

A

A

D

D

L

M

D

D

N

W

A

A

V

V

R

E

G

Q

V

A

V

H

G

F

G

A

I

L

F

F

G

F

A

N

V

Q

G

G

Q

Q

T

C

C
|
C

I

C

A

A

G

G

S

S

R

R

L

T

L

F

V

V

H

Q

R

E

S

D

I

I

H

Y

D

D

E

E

F

F

L

V

E

E

K

R

L

S

A

V

V

A

F

R

T

A

K

K

T

S

A

R

R

V

I

V

G

G

D

N

P

P

R

F

K

D

V

S

E

K

T

T

Q

E

I

Q

G

G

P

P

I

Q

A

V

N

D

S

E

M

T

Q
|
Q

F

F

E

K

K
|
K

V

I

L

L

G

G

Y

Y

I

I

D

N

I

T

A

G

R

K

R

Q

E

E

G

G

A

A

E

K

L

L

I

L

L

C

G

G

G

G

G

G

R

I

P

A

D

-

L

-

E

-

E

-

C

A

G

D

T

R

G

G

Y

Y

F

F

I

I

E

Q

P

P

T

T

I

V

F

F

A

G

G

D

V

V

S

Q

N

D

D

G

M

M

R

T

I

I

A

A

R

K

E

E

E
|
E

V

I

F
|
F

G

G

P

P

V

V

L

M

S

Q

A

I

I

L

V

K

F

F

D

K

E

T

P

I

E

E

E

E

A

V

L

V

A

G

I

R

A

A

N

N

D

N

S

S

E

T

F

Y

G

G

L

L

G

A

A

A

G

A

V

V

W

F

T

T

S

K

D

D

M

L

R

D

L

K

A

A

L

N

K

Y

M

L

S

S

E

Q

R

A

L

L

E

Q

A

A

G

G

S

T

V

V

W

W

V

V

N

N

T

C

Y

Y

R

D

D

V

I

F

S

G

Y

A

T

Q

T

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

N

L

G

G

V

E

A

Y

G

G

I

L

Y

Q

E

A

Y

Y

L

T

Q

E

T

V

K

K

A

T

V

V

W

T

L

V

S

K

T

V

A

P

E

Q

E

K

active site: N163 (= N154), K186 (= K177), E262 (= E252), C296 (= C286), E393 (= E387), E470 (= E464)
binding magnesium ion: V34 (= V27), D103 (= D95), Q190 (≠ F181)
binding nicotinamide-adenine-dinucleotide: I159 (= I150), I160 (≠ V151), P161 (= P152), W162 (= W153), K186 (= K177), G219 (= G210), G223 (= G214), A224 (≠ E215), F237 (= F228), G239 (= G230), S240 (= S231), I243 (≠ T234), L263 (= L253), G264 (= G254), C296 (= C286), Q343 (= Q333), K346 (= K336), E393 (= E387), F395 (= F389)

P20000 Aldehyde dehydrogenase, mitochondrial; ALDH class 2; ALDH-E2; ALDHI; EC 1.2.1.3 from Bos taurus (Bovine) (see 2 papers)
44% identity, 96% coverage: 8:479/494 of query aligns to 41:511/520 of P20000

query
sites
P20000

S

Q

M

I

Y

F

I

I

D

N

G

N

Q

E

W

W

V

H

A

D

P

A

A

V

S

S

G

K

E

K

Y

T

I

F

E

P

T

T

V

V

D

N

P

P

F

S

T

T

A

G

R

D

P

V

W

I

A

C

L

H

V

V

P

A

R

E

G

G

N

D

A

K

E

A

D

D

A

V

D

D

R

R

A

A

V

V

R

K

A

A

A

A

H

R

R

A

A

A

F

F

S

Q

Q

L

G

G

-

S

P

P

W

W

G

R

K

R

M

M

H

D

P

A

T

S

E

E

R

R

G

G

R

R

I

L

I

L

Q

N

R

R

F

L

A

A

A

D

L

L

I

I

E

E

E

R

H

D

A

R

D

T

A

Y

L

L

A

A

D

A

I

L

E

E

V

T

R

L

D

D

N

N

G

G

R

K

-

P

L

Y

L

I

A

I

E

S

M

Y

T

L

H

V

Q

D

I

L

R

D

Y

M

I

V

P

L

R

K

W

C

Y

L

H

R

Y

Y

Y

Y

A

A

G

G

F

W

A

A

D

D

K

K

I

Y

E

H

G

G

T

K

L

T

H

I

P

P

C

I

D

D

K

G

P

D

A

Y

L

F

S

S

F

Y

S

T

R

R

H

H

E

E

P

P

L

V

G

G

V

V

C

C

V

G

G

Q

I

I

V
x
I

P
|
P

W
|
W

N
|
N

A

F

P

P

L

L

L

L

L

M

F

Q

S

A

L

W

K

K

A

L

A

G

P

P

A

A

L

L

A

A

A

T

G

G

N

N

T

V

L

V

V

V

M

M

K
|
K

P
x
V

A
|
A

E
|
E

F

Q

T

T

S

P

A

L

T

T

A

A

L

L

K

Y

L

V

M

A

E

N

L

L

V

I

E

K

K

E

A

A

G

G

F

F

P

P

T

P

G

G

V

V

I

V

N

N

V

V

V

I

T

P

G

G

Y

F

G
|
G

P

P

E

T

V

A

G

G

E

A

P

A

L

I

V

A

T

S

H

H

P

E

L

D

T

V

R

D

H

K

V

V

G

A

F

F

T

T

G
|
G

S
|
S

T
|
T

K
x
E

T
x
V

G
|
G

A

-

H

H

L

L

Y

I

S

Q

L

V

A

A

A

A

-

G

-

K

K

S

D

N

V

L

K

K

R

R

V

V

S

T

L

L

E
|
E

L

L

G

G

G

G

K

K

S

S

P

P

N

N

I

I

V

I

F

M

G

S

D

D

A

A

D

D

L

M

D

D

N

W

A

A

V

V

R

E

G

Q

V

A

V

H

G

F

G

A

I

L

F

F

G

F

A

N

V

Q

G

G

Q

Q

T

C

C

C

I

C

A

A

G

G

S

S

R

R

L

T

L

F

V

V

H

Q

R

E

S

D

I

I

H

Y

D

A

E

E

F

F

L

V

E

E

K

R

L

S

A

V

V

A

F

R

T

A

K

K

T

S

A

R

R

V

I

V

G

G

D

N

P

P

R

F

K

D

V

S

E

R

T

T

Q

E

I

Q

G

G

P

P

I

Q

A

V

N

D

S

E

M

T

Q

Q

F

F

E

K

K

K

V

V

L

L

G

G

Y

Y

I

I

D

K

I

S

A

G

R

K

R

E

E

E

G

G

A

A

E

K

L

L

I

L

L

C

G

G

G

G

G

G

R

-

P

-

D

-

L

-

E

A

E

A

C

A

G

D

T

R

G

G

Y

Y

F

F

I

I

E

Q

P

P

T

T

I

V

F

F

A

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G

D

V

V

S

Q

N

D

D

G

M

M

R

T

I

I

A

A

R

K

E

E

E
|
E

V
x
I

F
|
F

G

G

P

P

V

V

L

M

S

Q

A

I

I

L

V

K

F

F

D

K

E

S

P

M

E

E

E

E

A

V

L

V

A

G

I

R

A

A

N

N

D

N

S

S

E

K

F

Y

G

G

L

L

G

A

A

A

G

A

V

V

W

F

T

T

S

K

D

D

M

L

R

D

L

K

A

A

L

N

K

Y

M

L

S

S

E

Q

R

A

L

L

E

Q

A

A

G

G

S

T

V

V

W

W

V

V

N

N

T

C

Y

Y

R

D

D

V

I

F

S

G

Y

A

T

Q

T

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

N

L

G

G

V

E

A

Y

G

G

I

L

Y

Q

E

A

Y

Y

L

T

Q

E

T

V

K

K

A

T

V

V

IPW 186:188 (≠ VPW 151:153) binding
N189 (= N154) Transition state stabilizer
KVAE 212:215 (≠ KPAE 177:180) binding
G245 (= G210) binding
GSTEVG 265:270 (≠ GSTKTG 230:235) binding
E288 (= E252) binding
EIF 419:421 (≠ EVF 387:389) binding

Sites not aligning to the query:

1:21 modified: transit peptide, Mitochondrion

4fr8A Crystal structure of human aldehyde dehydrogenase-2 in complex with nitroglycerin (see paper)
43% identity, 97% coverage: 8:486/494 of query aligns to 14:491/493 of 4fr8A

query
sites
4fr8A

S

Q

M

I

Y

F

I

I

D

N

G

N

Q

E

W

W

V

H

A

D

P

A

A

V

S

S

G

R

E

K

Y

T

I

F

E

P

T

T

V

V

D

N

P

P

F

S

T

T

A

G

R

E

P

V

W

I

A

C

L

Q

V

V

P

A

R

E

G

G

N

D

A

K

E

E

D

D

A

V

D

D

R

K

A

A

V

V

R

K

A

A

A

A

H

R

R

A

A

A

F

F

S

Q

Q

L

G

G

-

S

P

P

W

W

G

R

K

R

M

M

H

D

P

A

T

S

E

H

R

R

G

G

R

R

I

L

I

L

Q

N

R

R

F

L

A

A

A

D

L

L

I

I

E

E

E

R

H

D

A

R

D

T

A

Y

L

L

A

A

D

A

I

L

E

E

V

T

R

L

D

D

N

N

G

G

R

K

-

P

L

Y

L

V

A

I

E

S

M

Y

T

L

H

V

Q

D

I

L

R

D

Y

M

I

V

P

L

R

K

W

C

Y

L

H

R

Y

Y

Y

Y

A

A

G

G

F

W

A

A

D

D

K

K

I

Y

E

H

G

G

T

K

L

T

H

I

P

P

C

I

D

D

K

G

P

D

A

F

L

F

S

S

F

Y

S

T

R

R

H

H

E

E

P

P

L

V

G

G

V

V

C

C

V

G

G

Q

I
|
I

V
x
I

P

P

W
|
W

N
|
N

A
x
F

P

P

L

L

L
|
L

L

M

F

Q

S

A

L
x
W

K

K

A

L

A

G

P

P

A

A

L

L

A

A

A

T

G

G

N

N

T

V

L

V

V

V

M

M

K
|
K

P

V

A

A

E

E

F

Q

T

T

S

P

A

L

T

T

A

A

L

L

K

Y

L

V

M

A

E

N

L

L

V

I

E

K

K

E

A

A

G

G

F

F

P

P

T

P

G

G

V

V

I

V

N

N

V

I

V

V

T

P

G

G

Y

F

G
|
G

P

P

E

T

V

A

G
|
G

E
x
A

P

A

L

I

V

A

T

S

H

H

P

E

L

D

T

V

R

D

H

K

V

V

G

A

F
|
F

T

T

G
|
G

S
|
S

T

T

K

E

T
x
I

G

G

A

R

H

V

L

I

Y

Q

S

V

L

A

A

A

-

G

A

S

K

S

D

N

V

L

K

K

R

R

V

V

S

T

L

L

E
x
Q

L

L

G

G

G

G

K

K

S

S

P

P

N

N

I

I

V

I

F

M

G

S

D

D

A

A

D

D

L

M

D

D

N

W

A

A

V

V

R

E

G

Q

V

A

V

H

G

F

G

A

I

L

F

F

G
x
F

A

N

V

Q

G

G

Q

Q

T
x
S

C
|
C

I

S

A

A

G

G

S

S

R

R

L

T

L

F

V

V

H

Q

R

E

S

D

I

I

H

Y

D

D

E

E

F

F

L

V

E

E

K

R

L

S

A

V

V

A

F

R

T

A

K

K

T

S

A

R

R

V

I

V

G

G

D

N

P

P

R

F

K

D

V

S

E

K

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T

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E

I

Q

G

G

P

P

I

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A

V

N

D

S

E

M

T

Q
|
Q

F

F

E

K

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|
K

V

I

L

L

G

G

Y

Y

I

I

D

N

I

T

A

G

R

K

R

Q

E

E

G

G

A

A

E

K

L

L

I

L

L

C

G

G

G

G

G

G

R

I

P

A

D

-

L

-

E

-

E

-

C

A

G

D

T

R

G

G

Y

Y

F

F

I

I

E

Q

P

P

T

T

I

V

F

F

A

G

G

D

V

V

S

Q

N

D

D

G

M

M

R

T

I

I

A

A

R

K

E

E

E
|
E

V

I

F
|
F

G

G

P

P

V

V

L

M

S

Q

A

I

I

L

V

K

F

F

D

K

E

T

P

I

E

E

E

E

A

V

L

V

A

G

I

R

A

A

N

N

D

N

S

S

E

T

F

Y

G

G

L

L

G

A

A

A

G

A

V

V

W

F

T

T

S

K

D

D

M

L

R

D

L

K

A

A

L

N

K

Y

M

L

S

S

E

Q

R

A

L

L

E

Q

A

A

G

G

S

T

V

V

W

W

V

V

N

N

T

C

Y

Y

R
x
D

D

V

I
x
F

S

G

Y

A

T

Q

T

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

N

L

G

G

V

E

A

Y

G

G

I

L

Y

Q

E

A

Y

Y

L

T

Q

E

T

V

K

K

A

T

V

V

W

T

L

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A

P

E

Q

E

K

active site: N162 (= N154), K185 (= K177), Q261 (≠ E252), C295 (= C286), E392 (= E387), E469 (= E464)
binding nicotinamide-adenine-dinucleotide: I158 (= I150), I159 (≠ V151), W161 (= W153), K185 (= K177), G218 (= G210), G222 (= G214), A223 (≠ E215), F236 (= F228), G238 (= G230), S239 (= S231), I242 (≠ T234), Q342 (= Q333), K345 (= K336), E392 (= E387), F394 (= F389)
binding propane-1,2,3-triyl trinitrate: F163 (≠ A155), L166 (= L158), W170 (≠ L162), F289 (≠ G280), S294 (≠ T285), C295 (= C286), D450 (≠ R445), F452 (≠ I447)

4fr8C Crystal structure of human aldehyde dehydrogenase-2 in complex with nitroglycerin (see paper)
43% identity, 97% coverage: 8:486/494 of query aligns to 17:494/496 of 4fr8C

query
sites
4fr8C

S

Q

M

I

Y

F

I

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N

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N

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W

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A

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A

A

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S

G

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Y

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E

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T

T

V

V

D

N

P

P

F

S

T

T

A

G

R

E

P

V

W

I

A

C

L

Q

V

V

P

A

R

E

G

G

N

D

A

K

E

E

D

D

A

V

D

D

R

K

A

A

V

V

R

K

A

A

A

A

H

R

R

A

A

A

F

F

S

Q

Q

L

G

G

-

S

P

P

W

W

G

R

K

R

M

M

H

D

P

A

T

S

E

H

R

R

G

G

R

R

I

L

I

L

Q

N

R

R

F

L

A

A

A

D

L

L

I

I

E

E

E

R

H

D

A

R

D

T

A

Y

L

L

A

A

D

A

I

L

E

E

V

T

R

L

D

D

N

N

G

G

R

K

-

P

L

Y

L

V

A

I

E

S

M

Y

T

L

H

V

Q

D

I

L

R

D

Y

M

I

V

P

L

R

K

W

C

Y

L

H

R

Y

Y

Y

Y

A

A

G

G

F

W

A

A

D

D

K

K

I

Y

E

H

G

G

T

K

L

T

H

I

P

P

C

I

D

D

K

G

P

D

A

F

L

F

S

S

F

Y

S

T

R

R

H

H

E

E

P

P

L

V

G

G

V

V

C

C

V

G

G

Q

I
|
I

V
x
I

P

P

W
|
W

N
|
N

A

F

P

P

L

L

L

L

L

M

F

Q

S

A

L

W

K

K

A

L

A

G

P

P

A

A

L

L

A

A

A

T

G

G

N

N

T

V

L

V

V

V

M

M

K
|
K

P

V

A

A

E

E

F

Q

T

T

S

P

A

L

T

T

A

A

L

L

K

Y

L

V

M

A

E

N

L

L

V

I

E

K

K

E

A

A

G

G

F

F

P

P

T

P

G

G

V

V

I

V

N

N

V

I

V

V

T

P

G

G

Y

F

G
|
G

P

P

E

T

V

A

G
|
G

E
x
A

P

A

L

I

V

A

T

S

H

H

P

E

L

D

T

V

R

D

H

K

V

V

G

A

F
|
F

T

T

G
|
G

S
|
S

T

T

K

E

T
x
I

G

G

A

R

H

V

L

I

Y

Q

S

V

L

A

A

A

-

G

A

S

K

S

D

N

V

L

K

K

R

R

V

V

S

T

L

L

E
x
Q

L

L

G

G

G

G

K

K

S

S

P

P

N

N

I

I

V

I

F

M

G

S

D

D

A

A

D

D

L

M

D

D

N

W

A

A

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E

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Q

V

A

V

H

G

F

G

A

I

L

F

F

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F

A

N

V

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G

G

Q

Q

T

S

C
|
C

I

S

A

A

G

G

S

S

R

R

L

T

L

F

V

V

H

Q

R

E

S

D

I

I

H

Y

D

D

E

E

F

F

L

V

E

E

K

R

L

S

A

V

V

A

F

R

T

A

K

K

T

S

A

R

R

V

I

V

G

G

D

N

P

P

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F

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D

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E

K

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T

Q

E

I

Q

G

G

P

P

I

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A

V

N

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S

E

M

T

Q
|
Q

F

F

E

K

K

K

V

I

L

L

G

G

Y

Y

I

I

D

N

I

T

A

G

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K

R

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E

E

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G

A

A

E

K

L

L

I

L

L

C

G

G

G

G

G

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R

I

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A

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-

L

-

E

-

E

-

C

A

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D

T

R

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G

Y

Y

F

F

I

I

E

Q

P

P

T

T

I

V

F

F

A

G

G

D

V

V

S

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N

D

D

G

M

M

R

T

I

I

A

A

R

K

E

E

E
|
E

V

I

F
|
F

G

G

P

P

V

V

L

M

S

Q

A

I

I

L

V

K

F

F

D

K

E

T

P

I

E

E

E

E

A

V

L

V

A

G

I

R

A

A

N

N

D

N

S

S

E

T

F

Y

G

G

L

L

G

A

A

A

G

A

V

V

W

F

T

T

S

K

D

D

M

L

R

D

L

K

A

A

L

N

K

Y

M

L

S

S

E

Q

R

A

L

L

E

Q

A

A

G

G

S

T

V

V

W

W

V

V

N

N

T

C

Y

Y

R

D

D

V

I

F

S

G

Y

A

T

Q

T

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

N

L

G

G

V

E

A

Y

G

G

I

L

Y

Q

E

A

Y

Y

L

T

Q

E

T

V

K

K

A

T

V

V

W

T

L

V

S

K

T

V

A

P

E

Q

E

K

active site: N165 (= N154), K188 (= K177), Q264 (≠ E252), C298 (= C286), E395 (= E387), E472 (= E464)
binding nicotinamide-adenine-dinucleotide: I161 (= I150), I162 (≠ V151), W164 (= W153), K188 (= K177), G221 (= G210), G225 (= G214), A226 (≠ E215), F239 (= F228), G241 (= G230), S242 (= S231), I245 (≠ T234), Q345 (= Q333), E395 (= E387), F397 (= F389)

Query Sequence

>SMa2213 SMa2213 aldehyde dehydrogenase
MQNLPKLSMYIDGQWVAPASGEYIETVDPFTARPWALVPRGNAEDADRAVRAAHRAFSQG
PWGKMHPTERGRIIQRFAALIEEHADALADIEVRDNGRLLAEMTHQIRYIPRWYHYYAGF
ADKIEGTLHPCDKPALSFSRHEPLGVCVGIVPWNAPLLLFSLKAAPALAAGNTLVMKPAE
FTSATALKLMELVEKAGFPTGVINVVTGYGPEVGEPLVTHPLTRHVGFTGSTKTGAHLYS
LAAKDVKRVSLELGGKSPNIVFGDADLDNAVRGVVGGIFGAVGQTCIAGSRLLVHRSIHD
EFLEKLAVFTKTARIGDPRKVETQIGPIANSMQFEKVLGYIDIARREGAELILGGGRPDL
EECGTGYFIEPTIFAGVSNDMRIAREEVFGPVLSAIVFDEPEEALAIANDSEFGLGAGVW
TSDMRLALKMSERLEAGSVWVNTYRDISYTTPFGGYKKSGIGRENGVAGIYEYLQTKAVW
LSTAEEIANPFVIG

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