SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_065398085.1 NCBI__GCF_001684965.1:WP_065398085.1 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)

P51648 Aldehyde dehydrogenase family 3 member A2; Aldehyde dehydrogenase 10; Fatty aldehyde dehydrogenase; Microsomal aldehyde dehydrogenase; EC 1.2.1.3; EC 1.2.1.94 from Homo sapiens (Human) (see 5 papers)
44% identity, 100% coverage: 1:453/453 of query aligns to 3:455/485 of P51648

query
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P51648

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I45 (= I47) to F: in SLS; severe loss of activity
V64 (= V66) to D: in SLS; severe loss of activity; dbSNP:rs72547556
L106 (= L108) to R: in SLS; severe loss of activity; dbSNP:rs72547558
N112 (= N114) mutation to A: Loss of enzyme activity.
P114 (= P116) to L: in SLS; severe loss of activity; dbSNP:rs72547559
P121 (= P123) to L: in SLS; severe loss of activity; dbSNP:rs72547560
T184 (= T186) to M: in SLS; severe loss of activity; dbSNP:rs72547562; to R: in SLS; severe loss of activity
G185 (= G187) to A: in SLS; severe loss of activity; dbSNP:rs72547563
E207 (= E209) active site; mutation to Q: Loss of enzyme activity.
C214 (≠ A216) to Y: in SLS; 4% of activity; dbSNP:rs72547564
R228 (= R230) to C: in SLS; severe loss of activity; dbSNP:rs72547566
C237 (≠ A239) to Y: in SLS; severe loss of activity; dbSNP:rs72547567
C241 (= C243) active site; mutation to S: Loss of enzyme activity.
D245 (= D247) to N: in SLS; severe loss of activity; dbSNP:rs72547568
K266 (= K268) to N: in SLS; mild reduction of activity; the underlying nucleotide substitution affects transcript stability; dbSNP:rs72547569
Y279 (= Y279) to N: in SLS; severe loss of activity; dbSNP:rs72547570
AP 314:315 (≠ EP 314:315) natural variant: AP -> GAKSTVGA (in SLS; 8% of activity)
P315 (= P315) to S: in SLS; common mutation in Europeans; severe loss of enzymatic activity; dbSNP:rs72547571
E331 (= E331) mutation to Q: Loss of enzyme activity.
S365 (≠ T365) to L: in SLS; severe loss of activity; dbSNP:rs72547573
Y410 (= Y410) mutation to F: Decreased enzyme activity with dodecanal and hexadecanal. No effect on enzyme activity with octanal.
H411 (= H411) to Y: in SLS; severe loss of activity
S415 (≠ G415) to N: in SLS; severe loss of activity
F419 (= F419) to S: in SLS; severe loss of activity; dbSNP:rs72547576
R423 (≠ K423) to H: in SLS; severe loss of activity; dbSNP:rs768290318
K447 (= K445) to E: in SLS; severe loss of activity; dbSNP:rs67939114

Sites not aligning to the query:

445:485 mutation Missing: Decreased enzyme activity with dodecanal. Strongly decreased enzyme activity with hexadecanal. No effect on enzyme activity with octanal.

1ad3A Class 3 aldehyde dehydrogenase complex with nicotinamide-adenine- dinucleotide (see paper)
44% identity, 97% coverage: 3:440/453 of query aligns to 2:443/446 of 1ad3A

query
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active site: N113 (= N114), K136 (= K137), E208 (= E209), C242 (= C243), E332 (= E331), Y411 (= Y410)
binding nicotinamide-adenine-dinucleotide: A111 (= A112), W112 (= W113), N113 (= N114), E139 (= E140), V140 (≠ I141), V168 (= V169), G186 (= G187), V190 (= V191), H288 (≠ N287), R291 (= R290), E332 (= E331), F334 (= F333)

4l1oB Crystal structure of human aldh3a1 with inhibitor 1-{[4-(1,3- benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-1h-indole-2,3-dione (see paper)
44% identity, 98% coverage: 2:444/453 of query aligns to 2:448/452 of 4l1oB

query
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4l1oB

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N

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Q

F

I

L

V

E

E

M

K

L

L

R

K

K

K

Y

S

I

L

K

K

E

E

F

F

Q

-

Y

Y

T

G

P

E

D

D

-

A

-

K

S

S

E

R

Q

D

Y

Y

T

G

R

R

I

I

N

S

L

A

K

R

N

H

F

F

E

Q

R

R

L

V

T

M

R

G

L

L

I

I

D

E

K

G

E

Q

K

K

L

V

Y

A

F

Y

G

G

N

T

F

G

N

D

V

A

Q

A

Q

T

L

R

Y

Y

I

I

E

A

P

P

T

T

I

I

L

L

H

T

Y

D

I

V

G

D

W

P

Q

Q

D

S

E

P

I

V

M

M

Q

Q

E

E

E
|
E

I

I

F

F

G

G

P

P

L

V

L

L

P

P

V

I

I

V

G

C

F

V

K

R

N

S

Y

L

N

E

A

E

A

A

L

I

N

Q

D

F

I

I

L

N

E

Q

L

R

E

E

K

K

P

P

L

L

A

A

A

L

Y

Y

L

M

F

F

T

S

H

S

N

N

S

D

E

K

E

V

K

I

E

K

A

K

F

M

T

I

R

A

K

E

L

T

S

S

F

S

G

G

G

V

C

A

I

A

N

N

D

D

T

V

V
x
I

M

V

H

H

L
x
I

S

T

N

L

D

H

H

S

L

L

P

P

F
|
F

G

G

V

V

G

G

N

N

S

S

G

G

I

M

G

G

S

S

Y
|
Y

H
|
H

G

G

K

K

F

K

G

S

F

F

E

E

A

T

F

F

T

S

H

H

Q

R

K

R

A

S

V

C

L

L

E

V

R

R

V

P

T

L

W

M

G

N

E

D

P

E

N

G

I

L

K

K

-

V

-

R

Y

Y

P

P

Y

S

S

P

E

A

K

K

active site: N114 (= N114), K137 (= K137), E209 (= E209), C243 (= C243), E333 (= E331), Y412 (= Y410)
binding (3S)-1-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-3-hydroxy-1,3-dihydro-2H-indol-2-one: Y115 (= Y115), N118 (≠ Q118), L119 (= L119), E209 (= E209), T242 (= T242), C243 (= C243), I391 (≠ V389), I394 (≠ L392), F401 (= F399), H413 (= H411)

P30838 Aldehyde dehydrogenase, dimeric NADP-preferring; ALDHIII; Aldehyde dehydrogenase 3; Aldehyde dehydrogenase family 3 member A1; EC 1.2.1.5 from Homo sapiens (Human) (see 4 papers)
44% identity, 98% coverage: 2:444/453 of query aligns to 3:449/453 of P30838

query
sites
P30838

E

K

I

I

E

S

R

E

I

A

L

V

Q

K

S

R

Q

A

R

R

D

A

F

A

F

F

A

S

T

S

H

G

Q

R

T

T

K

R

S

P

P

L

A

Q

F

F

R

R

K

I

M

Q

Y

Q

L

L

E

E

K

A

L

L

K

Q

N

R

L

L

I

I

V

Q

S

E

N

Q

E

E

N

Q

M

E

L

L

Y

V

E

G

A

A

I

L

Y

A

K

A

D

D

F

L

G

H

K

K

S

N

R

E

F

W

D

N

T

A

F

Y

T

Y

T

E

E

E

L

V

S

V

F

Y

V

V

L

L

K

E

D

E

I

I

D

E

Y

Y

Y

M

L

I

K

Q

N

K

L

L

K

P

S

E

L

W

T

A

R

A

P

D

E

E

K

P

V

V

S

E

T

K

N

T

L

P

A

Q

N

T

Q

Q

L

Q

G

D

N

E

S

L

R

Y

I

I

Y

H

A

S

D

E

P

P

L

L

G

G

C

V

I

V

L

L

V

V

I

I

G

G

A

T

W

W

N

N

Y

Y

P

P

Y

F

Q

N

L

L

S

T

L

I

S

Q

P

P

V

M

I

V

A

G

A

A

M

I

A

A

G

G

N

N

C
x
S

C

V

I

V

L

L

K

K

P

P

S

S

E

E

I

L

A

S

E

E

N

N

T

M

M

A

K

S

A

L

M

L

A

A

Q

T

I

I

N

P

E

Q

N

Y

F

L

P

D

A

K

E

D

Y

L

L

Y

Y

P

V

V

Y

I

E

N

G

G

V

V

E

P

E

E

T

T

K

E

L

L

K

K

L

E

K

R

F

F

D

D

K

H

I

I

F

L

F

Y

T

T

G

G

S

S

T

T

R

G

V

V

G

G

K

K

I

I

V

I

Y

M

K

T

A

A

E

K

H

H

L

L

T

T

P

P

V

V

V

T

L

L

E
|
E

L

L

G

G

K

K

S

S

P

P

A

C

I

Y

V

V

T

D

K

K

D

N

A

C

N

D

L

L

D

D

I

V

A

A

A

C

K

R

R

R

I

I

V

A

W

W

G

G

K

K

F

F

L

M

N

N

A

S

G

G

Q

Q

T

T

C
|
C

V

V

A

A

P

P

D

D

Y

Y

L

I

L

L

V

C

E

D

E

P

T

S

V

I

Q

Q

E

N

Q

Q

F

I

L

V

E

E

M

K

L

L

R

K

K

K

Y

S

I

L

K

K

E

E

F

F

Q

-

Y

Y

T

G

P

E

D

D

-

A

-

K

S

S

E

R

Q

D

Y

Y

T

G

R

R

I

I

N

S

L

A

K

R

N

H

F

F

E

Q

R

R

L

V

T

M

R

G

L

L

I

I

D

E

K

G

E

Q

K

K

L

V

Y

A

F

Y

G

G

N

T

F

G

N

D

V

A

Q

A

Q

T

L

R

Y

Y

I

I

E

A

P

P

T

T

I

I

L

L

H

T

Y

D

I

V

G

D

W

P

Q

Q

D

S

E
x
P

I

V

M

M

Q

Q

E

E

I

I

F

F

G

G

P

P

L

V

L

L

P

P

V

I

I

V

G

C

F

V

K

R

N

S

Y

L

N

E

A

E

A

A

L

I

N

Q

D

F

I

I

L

N

E

Q

L

R

E

E

K

K

P

P

L

L

A

A

A

L

Y

Y

L

M

F

F

T

S

H

S

N

N

S

D

E

K

E

V

K

I

E

K

A

K

F

M

T

I

R

A

K

E

L

T

S

S

F

S

G

G

G

V

C

A

I

A

N

N

D

D

T

V

V

I

M

V

H

H

L

I

S

T

N

L

D

H

H

S

L

L

P

P

F

F

G

G

V

V

G

G

N

N

S

S

G

G

I

M

G

G

S

S

Y

Y

H

H

G

G

K

K

F

K

G

S

F

F

E

E

A

T

F

F

T

S

H

H

Q

R

K

R

A

S

V

C

L

L

E

V

R

R

V

P

T

L

W

M

G

N

E

D

P

E

N

G

I

L

K

K

-

V

-

R

Y

Y

P

P

Y

S

S

P

E

A

K

K

S134 (≠ C133) to A: in dbSNP:rs887241
E210 (= E209) active site
C244 (= C243) active site; mutation to S: Abolishes activity.
P329 (≠ E326) to A: in allele ALDH3A1*2; dbSNP:rs2228100

3szbA Crystal structure of human aldh3a1 modified with the beta-elimination product of aldi-1; 1-phenyl- 2-propen-1-one (see paper)
44% identity, 97% coverage: 2:440/453 of query aligns to 2:444/447 of 3szbA

query
sites
3szbA

E

K

I

I

E

S

R

E

I

A

L

V

Q

K

S

R

Q

A

R

R

D

A

F

A

F

F

A

S

T

S

H

G

Q

R

T

T

K

R

S

P

P

L

A

Q

F

F

R

R

K

I

M

Q

Y

Q

L

L

E

E

K

A

L

L

K

Q

N

R

L

L

I

I

V

Q

S

E

N

Q

E

E

N

Q

M

E

L

L

Y

V

E

G

A

A

I

L

Y

A

K

A

D

D

F

L

G

H

K

K

S

N

R

E

F

W

D

N

T

A

F

Y

T

Y

T

E

E

E

L

V

S

V

F

Y

V

V

L

L

K

E

D

E

I

I

D

E

Y

Y

Y

M

L

I

K

Q

N

K

L

L

K

P

S

E

L

W

T

A

R

A

P

D

E

E

K

P

V

V

S

E

T

K

N

T

L

P

A

Q

N

T

Q

Q

L

Q

G

D

N

E

S

L

R

Y

I

I

Y

H

A

S

D

E

P

P

L

L

G

G

C

V

I

V

L

L

V

V

I

I

G

G

A

T

W

W

N
|
N

Y
|
Y

P

P

Y

F

Q

N

L
|
L

S

T

L

I

S

Q

P

P

V

M

I

V

A

G

A

A

M

I

A

A

G

G

N

N

C

A

C

V

I

V

L

L

K
|
K

P

P

S

S

E

E

I

L

A

S

E

E

N

N

T

M

M

A

K

S

A

L

M

L

A

A

Q

T

I

I

N

P

E

Q

N

Y

F

L

P

D

A

K

E

D

Y

L

L

Y

Y

P

V

V

Y

I

E

N

G

G

V

V

E

P

E

E

T

T

K

E

L

L

K

K

L

E

K

R

F

F

D

D

K

H

I

I

F

L

F

Y

T

T

G

G

S

S

T

T

R

G

V

V

G

G

K

K

I

I

V

I

Y

M

K

T

A

A

E

K

H

H

L

L

T

T

P

P

V

V

V

T

L

L

E
|
E

L

L

G

G

K

K

S

S

P

P

A

C

I

Y

V

V

T

D

K

K

D

N

A

C

N

D

L

L

D

D

I

V

A

A

A

C

K

R

R

R

I

I

V

A

W

W

G

G

K

K

F

F

L

M

N

N

A

S

G

G

Q

Q

T

T

C
|
C

V

V

A

A

P

P

D

D

Y

Y

L

I

L

L

V

C

E

D

E

P

T

S

V

I

Q

Q

E

N

Q

Q

F

I

L

V

E

E

M

K

L

L

R

K

K

K

Y

S

I

L

K

K

E

E

F

F

Q

-

Y

Y

T

G

P

E

D

D

-

A

-

K

S

S

E

R

Q

D

Y

Y

T

G

R

R

I

I

N

S

L

A

K

R

N

H

F

F

E

Q

R

R

L

V

T

M

R

G

L

L

I

I

D

E

K

G

E

Q

K

K

L

V

Y

A

F

Y

G

G

N

T

F

G

N

D

V

A

Q

A

Q

T

L

R

Y

Y

I

I

E

A

P

P

T

T

I

I

L

L

H

T

Y

D

I

V

G

D

W

P

Q

Q

D

S

E

P

I

V

M

M

Q

Q

E

E

E
|
E

I

I

F

F

G

G

P

P

L

V

L

L

P

P

V

I

I

V

G

C

F

V

K

R

N

S

Y

L

N

E

A

E

A

A

L

I

N

Q

D

F

I

I

L

N

E

Q

L

R

E

E

K

K

P

P

L

L

A

A

A

L

Y

Y

L

M

F

F

T

S

H

S

N

N

S

D

E

K

E

V

K

I

E

K

A

K

F

M

T

I

R

A

K

E

L

T

S

S

F

S

G

G

G

V

C

A

I

A

N

N

D

D

T

V

V

I

M

V

H

H

L
x
I

S

T

N

L

D

H

H

S

L

L

P

P

F

F

G

G

V

V

G

G

N

N

S

S

G

G

I

M

G

G

S

S

Y
|
Y

H

H

G

G

K

K

F

K

G

S

F

F

E

E

A

T

F

F

T

S

H

H

Q

R

K

R

A

S

V

C

L

L

E

V

R

R

V

P

T

L

W

M

G

N

E

D

P

E

N

G

I

L

K

K

-

V

-

R

Y

Y

P

P

active site: N114 (= N114), K137 (= K137), E209 (= E209), C243 (= C243), E333 (= E331), Y412 (= Y410)
binding 1-phenylpropan-1-one: Y115 (= Y115), L119 (= L119), C243 (= C243), I394 (≠ L392)

4l2oA Crystal structure of human aldh3a1 with its selective inhibitor 1-(4- fluorophenyl)sulfonyl-2-methylbenzimidazole
44% identity, 97% coverage: 2:440/453 of query aligns to 2:444/446 of 4l2oA

query
sites
4l2oA

E

K

I

I

E

S

R

E

I

A

L

V

Q

K

S

R

Q

A

R

R

D

A

F

A

F

F

A

S

T

S

H

G

Q

R

T

T

K

R

S

P

P

L

A

Q

F

F

R

R

K

I

M

Q

Y

Q

L

L

E

E

K

A

L

L

K

Q

N

R

L

L

I

I

V

Q

S

E

N

Q

E

E

N

Q

M

E

L

L

Y

V

E

G

A

A

I

L

Y

A

K

A

D

D

F

L

G

H

K

K

S

N

R

E

F

W

D

N

T

A

F

Y

T

Y

T
x
E

E

E

L

V

S

V

F
x
Y

V

V

L

L

K

E

D

E

I

I

D

E

Y

Y

Y

M

L

I

K

Q

N

K

L

L

K

P

S

E

L

W

T

A

R

A

P

D

E

E

K

P

V

V

S

E

T

K

N

T

L

P

A

Q

N

T

Q

Q

L

Q

G

D

N

E

S

L

R

Y

I

I

Y

H

A

S

D

E

P

P

L

L

G

G

C

V

I

V

L

L

V

V

I

I

G

G

A
x
T

W
|
W

N
|
N

Y
|
Y

P

P

Y

F

Q
x
N

L
|
L

S

T

L

I

S

Q

P

P

V

M

I

V

A

G

A

A

M

I

A

A

G

G

N

N

C

A

C

V

I

V

L

L

K
|
K

P

P

S

S

E
|
E

I

L

A

S

E

E

N

N

T

M

M

A

K

S

A

L

M

L

A

A

Q

T

I

I

N

P

E

Q

N

Y

F

L

P

D

A

K

E

D

Y

L

L

Y

Y

P

V

V

Y

I

E

N

G

G

V
|
V

E

P

E

E

T

T

K

E

L

L

K

K

L

E

K

R

F

F

D

D

K

H

I

I

F

L

F

Y

T
|
T

G
|
G

S
|
S

T

T

R

G

V
|
V

G

G

K

K

I

I

V

I

Y

M

K

T

A

A

E

K

H

H

L

L

T

T

P

P

V

V

V

T

L

L

E
|
E

L
|
L

G
|
G

G

G

K

K

S

S

P

P

A

C

I

Y

V

V

T

D

K

K

D

N

A

C

N

D

L

L

D

D

I

V

A

A

A

C

K

R

R

R

I

I

V

A

W

W

G

G

K

K

F

F

L
x
M

N

N

A

S

G

G

Q

Q

T

T

C
|
C

V

V

A

A

P

P

D

D

Y

Y

L

I

L

L

V

C

E

D

E

P

T

S

V

I

Q

Q

E

N

Q

Q

F

I

L

V

E

E

M

K

L

L

R

K

K

K

Y

S

I

L

K

K

E

E

F

F

Q

-

Y

Y

T

G

P

E

D

D

-

A

-

K

S

S

E

R

Q

D

Y

Y

T

G

R

R

I

I

N

S

L

A

K

R

N
x
H

F

F

E

Q

R

R

L

V

T

M

R

G

L

L

I

I

D

E

K

G

E

Q

K

K

L

V

Y

A

F

Y

G

G

N

T

F

G

N

D

V

A

Q

A

Q

T

L

R

Y

Y

I

I

E

A

P

P

T

T

I

I

L

L

H

T

Y

D

I

V

G

D

W

P

Q

Q

D

S

E

P

I

V

M

M

Q

Q

E

E

E
|
E

I

I

F
|
F

G

G

P

P

L

V

L

L

P

P

V

I

I

V

G

C

F

V

K

R

N

S

Y

L

N

E

A

E

A

A

L

I

N

Q

D

F

I

I

L

N

E

Q

L

R

E

E

K

K

P

P

L

L

A

A

A

L

Y

Y

L

M

F

F

T

S

H

S

N

N

S

D

E

K

E

V

K

I

E

K

A

K

F

M

T

I

R

A

K

E

L

T

S

S

F

S

G

G

G

V

C

A

I

A

N

N

D

D

T

V

V
x
I

M

V

H

H

L
x
I

S
x
T

N

L

D

H

H

S

L

L

P

P

F
|
F

G

G

V

V

G

G

N

N

S

S

G

G

I

M

G

G

S

S

Y
|
Y

H
|
H

G

G

K

K

F

K

G

S

F

F

E

E

A

T

F

F

T

S

H

H

Q

R

K

R

A

S

V

C

L

L

E

V

R

R

V

P

T

L

W

M

G

N

E

D

P

E

N

G

I

L

K

K

-

V

-

R

Y

Y

P

P

active site: N114 (= N114), K137 (= K137), E209 (= E209), C243 (= C243), E333 (= E331), Y412 (= Y410)
binding 1-[(4-fluorophenyl)sulfonyl]-2-methyl-1H-benzimidazole: E61 (≠ T61), Y65 (≠ F65), Y115 (= Y115), N118 (≠ Q118), L119 (= L119), M237 (≠ L237), C243 (= C243), I391 (≠ V389), I394 (≠ L392), T395 (≠ S393), F401 (= F399), H413 (= H411)
binding nicotinamide-adenine-dinucleotide: T112 (≠ A112), W113 (= W113), N114 (= N114), L119 (= L119), E140 (= E140), V169 (= V169), T186 (= T186), G187 (= G187), S188 (= S188), V191 (= V191), E209 (= E209), L210 (= L210), G211 (= G211), C243 (= C243), H289 (≠ N287), E333 (= E331), F335 (= F333), F401 (= F399)

4h80A Crystal structure of human aldh3a1 with its isozyme selective inhibitor - n-[4-(4-methylsulfonyl-2-nitroanilino)phenyl]acetamide
44% identity, 97% coverage: 2:440/453 of query aligns to 2:444/446 of 4h80A

query
sites
4h80A

E

K

I

I

E

S

R

E

I

A

L

V

Q

K

S

R

Q

A

R

R

D

A

F

A

F

F

A

S

T

S

H

G

Q

R

T

T

K

R

S

P

P

L

A

Q

F

F

R

R

K

I

M

Q

Y

Q

L

L

E

E

K

A

L

L

K

Q

N

R

L

L

I

I

V

Q

S

E

N

Q

E

E

N

Q

M

E

L

L

Y

V

E

G

A

A

I

L

Y

A

K

A

D

D

F

L

G

H

K

K

S

N

R

E

F

W

D

N

T

A

F

Y

T

Y

T
x
E

E

E

L

V

S

V

F
x
Y

V

V

L

L

K

E

D

E

I

I

D

E

Y

Y

Y

M

L

I

K

Q

N

K

L

L

K

P

S

E

L

W

T

A

R

A

P

D

E

E

K

P

V

V

S

E

T

K

N

T

L

P

A

Q

N

T

Q

Q

L

Q

G

D

N

E

S

L

R

Y

I

I

Y

H

A

S

D

E

P

P

L

L

G

G

C

V

I

V

L

L

V

V

I

I

G

G

A

T

W

W

N
|
N

Y
|
Y

P

P

Y

F

Q
x
N

L

L

S

T

L

I

S

Q

P

P

V

M

I

V

A

G

A

A

M

I

A

A

G

G

N

N

C

A

C

V

I

V

L

L

K
|
K

P

P

S

S

E

E

I

L

A

S

E

E

N

N

T

M

M

A

K

S

A

L

M

L

A

A

Q

T

I

I

N

P

E

Q

N

Y

F

L

P

D

A

K

E

D

Y

L

L

Y

Y

P

V

V

Y

I

E

N

G

G

V

V

E

P

E

E

T

T

K

E

L

L

K

K

L

E

K

R

F

F

D

D

K

H

I

I

F

L

F

Y

T

T

G

G

S

S

T

T

R

G

V

V

G

G

K

K

I

I

V

I

Y

M

K

T

A

A

E

K

H

H

L

L

T

T

P

P

V

V

V

T

L

L

E
|
E

L

L

G

G

K

K

S

S

P

P

A

C

I

Y

V

V

T

D

K

K

D

N

A

C

N

D

L

L

D

D

I

V

A

A

A

C

K

R

R

R

I

I

V

A

W
|
W

G

G

K

K

F

F

L

M

N

N

A

S

G

G

Q

Q

T
|
T

C
|
C

V
|
V

A

A

P

P

D

D

Y

Y

L

I

L

L

V

C

E

D

E

P

T

S

V

I

Q

Q

E

N

Q

Q

F

I

L

V

E

E

M

K

L

L

R

K

K

K

Y

S

I

L

K

K

E

E

F

F

Q

-

Y

Y

T

G

P

E

D

D

-

A

-

K

S

S

E

R

Q

D

Y

Y

T

G

R

R

I

I

N

S

L

A

K

R

N

H

F

F

E

Q

R

R

L

V

T

M

R

G

L

L

I

I

D

E

K

G

E

Q

K

K

L

V

Y

A

F

Y

G

G

N

T

F

G

N

D

V

A

Q

A

Q

T

L

R

Y

Y

I

I

E

A

P

P

T

T

I

I

L

L

H

T

Y

D

I

V

G

D

W

P

Q

Q

D

S

E

P

I

V

M

M

Q

Q

E

E

E
|
E

I

I

F

F

G

G

P

P

L

V

L

L

P

P

V

I

I

V

G

C

F

V

K

R

N

S

Y

L

N

E

A

E

A

A

L

I

N

Q

D

F

I

I

L

N

E

Q

L

R

E

E

K

K

P

P

L

L

A

A

A

L

Y

Y

L

M

F

F

T

S

H

S

N

N

S

D

E

K

E

V

K

I

E

K

A

K

F

M

T

I

R

A

K

E

L

T

S

S

F

S

G

G

G

V

C

A

I

A

N

N

D

D

T

V

V

I

M

V

H

H

L
x
I

S
x
T

N

L

D

H

H

S

L

L

P

P

F
|
F

G

G

V

V

G

G

N

N

S

S

G

G

I

M

G

G

S

S

Y
|
Y

H

H

G

G

K

K

F

K

G

S

F

F

E

E

A

T

F

F

T

S

H

H

Q

R

K

R

A

S

V

C

L

L

E

V

R

R

V

P

T

L

W

M

G

N

E

D

P

E

N

G

I

L

K

K

-

V

-

R

Y

Y

P

P

active site: N114 (= N114), K137 (= K137), E209 (= E209), C243 (= C243), E333 (= E331), Y412 (= Y410)
binding N-(4-{[4-(methylsulfonyl)-2-nitrophenyl]amino}phenyl)acetamide: E61 (≠ T61), Y65 (≠ F65), Y115 (= Y115), N118 (≠ Q118), W233 (= W233), T242 (= T242), C243 (= C243), V244 (= V244), I394 (≠ L392), T395 (≠ S393), F401 (= F399)

8bb8A Crystal structure of human aldehyde dehydrogenase aldh3a1 in complex with octanal (see paper)
44% identity, 97% coverage: 2:440/453 of query aligns to 2:444/447 of 8bb8A

query
sites
8bb8A

E

K

I

I

E

S

R

E

I

A

L

V

Q

K

S

R

Q

A

R

R

D

A

F

A

F

F

A

S

T

S

H

G

Q

R

T

T

K

R

S

P

P

L

A

Q

F

F

R

R

K

I

M

Q

Y

Q

L

L

E

E

K

A

L

L

K

Q

N

R

L

L

I

I

V

Q

S

E

N

Q

E

E

N

Q

M

E

L

L

Y

V

E

G

A

A

I

L

Y

A

K

A

D

D

F

L

G

H

K

K

S

N

R

E

F

W

D

N

T

A

F

Y

T

Y

T

E

E

E

L

V

S

V

F
x
Y

V

V

L

L

K

E

D

E

I

I

D

E

Y

Y

Y

M

L

I

K

Q

N

K

L

L

K

P

S

E

L

W

T

A

R

A

P

D

E

E

K

P

V

V

S

E

T

K

N

T

L

P

A

Q

N

T

Q

Q

L

Q

G

D

N

E

S

L

R

Y

I

I

Y

H

A

S

D

E

P

P

L

L

G

G

C

V

I

V

L

L

V

V

I

I

G

G

A

T

W

W

N

N

Y
|
Y

P

P

Y

F

Q
x
N

L

L

S

T

L

I

S

Q

P

P

V

M

I

V

A

G

A

A

M

I

A

A

G

G

N

N

C

S

C

V

I

V

L

L

K

K

P

P

S

S

E

E

I

L

A

S

E

E

N

N

T

M

M

A

K

S

A

L

M

L

A

A

Q

T

I

I

N

P

E

Q

N

Y

F

L

P

D

A

K

E

D

Y

L

L

Y

Y

P

V

V

Y

I

E

N

G

G

V

V

E

P

E

E

T

T

K

E

L

L

K

K

L

E

K

R

F

F

D

D

K

H

I

I

F

L

F

Y

T

T

G

G

S

S

T

T

R

G

V

V

G

G

K

K

I

I

V

I

Y

M

K

T

A

A

E

K

H

H

L

L

T

T

P

P

V

V

V

T

L

L

E

E

L

L

G

G

K

K

S

S

P

P

A

C

I

Y

V

V

T

D

K

K

D

N

A

C

N

D

L

L

D

D

I

V

A

A

A

C

K

R

R

R

I

I

V

A

W

W

G

G

K

K

F

F

L

M

N

N

A

S

G

G

Q

Q

T

T

C
|
C

V

V

A

A

P

P

D

D

Y

Y

L

I

L

L

V

C

E

D

E

P

T

S

V

I

Q

Q

E

N

Q

Q

F

I

L

V

E

E

M

K

L

L

R

K

K

K

Y

S

I

L

K

K

E

E

F

F

Q

-

Y

Y

T

G

P

E

D

D

-

A

-

K

S

S

E

R

Q

D

Y

Y

T

G

R

R

I

I

N

S

L

A

K

R

N

H

F

F

E

Q

R

R

L

V

T

M

R

G

L

L

I

I

D

E

K

G

E

Q

K

K

L

V

Y

A

F

Y

G

G

N

T

F

G

N

D

V

A

Q

A

Q

T

L

R

Y

Y

I

I

E

A

P

P

T

T

I

I

L

L

H

T

Y

D

I

V

G

D

W

P

Q

Q

D

S

E

P

I

V

M

M

Q

Q

E

E

I

I

F

F

G

G

P

P

L

V

L

L

P

P

V

I

I

V

G

C

F

V

K

R

N

S

Y

L

N

E

A

E

A

A

L

I

N

Q

D

F

I

I

L

N

E

Q

L

R

E

E

K

K

P

P

L

L

A

A

A

L

Y

Y

L

M

F

F

T

S

H

S

N

N

S

D

E

K

E

V

K

I

E

K

A

K

F

M

T

I

R

A

K

E

L

T

S

S

F

S

G

G

G

V

C

A

I

A

N

N

D

D

T

V

V

I

M

V

H

H

L
x
I

S
x
T

N

L

D

H

H

S

L

L

P

P

F

F

G

G

V

V

G

G

N

N

S

S

G

G

I

M

G

G

S

S

Y

Y

H
|
H

G

G

K

K

F

K

G

S

F

F

E

E

A

T

F

F

T

S

H

H

Q

R

K

R

A

S

V

C

L

L

E

V

R

R

V

P

T

L

W

M

G

N

E

D

P

E

N

G

I

L

K

K

-

V

-

R

Y

Y

P

P

binding octanal: Y65 (≠ F65), Y115 (= Y115), N118 (≠ Q118), C243 (= C243), I394 (≠ L392), T395 (≠ S393), H413 (= H411)

Q70DU8 Aldehyde dehydrogenase family 3 member H1; AtALDH4; Ath-ALDH4; EC 1.2.1.3 from Arabidopsis thaliana (Mouse-ear cress) (see 2 papers)
41% identity, 100% coverage: 2:453/453 of query aligns to 11:469/484 of Q70DU8

query
sites
Q70DU8

E

E

I

A

E

S

R

N

I

L

L

V

Q

T

S

E

Q

L

R

R

D

R

F

S

F

F

A

D

T

D

H

G

Q

V

T

T

K

R

S

G

P

Y

A

E

F

W

R

R

K

V

M

T

Y

Q

L

L

E

K

K

K

L

L

K

M

N

I

L

I

I
x
C

V

D

S

N

N

H

E

E

N

P

M

E

L

I

Y

V

E

A

A

A

I

L

Y

R

K

D

D

D

F

L

G

G

K

K

S

P

R

E

F

L

D

E

T

S

F

S

T

V

T

Y

E

E

L

V

S

S

F

L

V

L

L

R

K

N

D

S

I

I

D

K

Y

L

Y

A

L

L

K

K

N

Q

L

L

K

K

S

N

L

W

T

M

R

A

P

P

E

E

K

K

V

A

S

K

T

T

N

S

L

L

A

T

N

T

Q

F

L

P

G

A

N

S

S

A

R

E

I

I

Y

V

A

S

D

E

P

P

L

L

G

G

C

V

I

V

L

L

V

V

I

I

G

S

A

A

W

W

N

N

Y

Y

P

P

Y

F

Q

L

L

L

S

S

L

I

S

D

P

P

V

V

I

I

A

G

A

A

M

I

A

S

A

A

G

G

N

N

C

A

C

V

I

V

L

L

K

K

P

P

S

S

E
|
E

I

L

A

A

E

P

N

A

T

S

M

S

K

A

A

L

M

L

A

T

Q

K

I

L

N

E

E

Q

N

Y

F

L

P

D

A

P

E

S

Y

A

L

V

Y

R

V

V

Y

V

E

E

G

G

G

A

V
|
V

E

T

E

E

T

T

T

S

K

A

L

L

K

E

L

Q

K

K

F

W

D

D

K

K

I

I

F

F

F

Y

T

T

G

G

S

S

T

S

R

K

V
x
I

G

G

K

R

I

V

V

I

Y

M

K

A

A

A

E

K

H

H

L

L

T

T

P

P

V

V

L

L

E

E

L

L

G

G

K

K

S

S

P

P

A

V

I

V

V

V

T

D

K

S

D

D

A

T

N

D

L

L

D

K

I

V

A

T

A

V

K

R

R

R

I

I

V

I

W

V

G

G

K

K

F

W

-

G

L
x
C

N

N

A

N

G

G

Q

Q

T

A

C
|
C

V

V

A

S

P

P

D

D

Y

Y

L

I

L

L

V

T

E

T

E

K

T

E

V

Y

Q

A

E

P

Q

K

F

L

L

I

E

D

M

A

L

M

R

K

K

L

Y

E

I

L

K

E

E

K

F

F

-

Y

-

G

Q

K

Y

N

T

P

P

I

D

E

S

S

E

K

Q

D

Y

M

T

S

R

R

I

I

I

V

N

N

L

S

K

N

N

H

F

F

E

D

R

R

L

L

T

S

R

K

L

L

I

L

D

D

K

E

-

K

-

E

-

V

-

S

E

D

K

K

L

I

Y

V

F

Y

G

G

N

E

F

K

N

D

V

R

Q

E

Q

N

L

L

Y

K

I

I

E

A

P

P

T

T

I

I

L

L

H

L

Y

D

I

V

G

P

W

L

Q

D

D

S

E

L

I

I

M

M

Q

S

E

E

I

I

F

F

G

G

P

P

L

L

P

P

V

I

I

L

G

T

F

L

K

N

N

N

Y

L

N

E

A

E

A

S

L

F

N

D

D

V

I

I

L

R

E

S

L

R

E

P

K

K

P

P

L

L

A

A

Y

Y

L

L

F

F

T

T

H

H

N

N

S

K

E

K

E

L

K

K

E

E

A

R

F

F

T

A

R

A

K

T

L

V

S

S

F

A

G

G

G

I

C

V

I

V

N

N

D

D

T

I

V

A

M

V

H

H

L

L

S

A

N

L

D

H

H

T

L

L

P

P

F

F

G

G

V

V

G

G

N

E

S

S

G

G

I

M

G

G

S

A

Y

Y

H

H

G

G

K

K

F

F

G

S

F

F

E

D

A

A

F

F

T

S

H

H

Q

K

K

K

A

A

V

V

L

L

E

Y

R

R

V

S

T

L

W

F

G

G

E

D

P

S

N

A

I

V

K

R

Y

Y

P

P

Y

Y

S

S

E

R

K

G

K

K

L

L

S

R

W

L

I

L

K

K

K

A

L

L

L

V

C45 (≠ I36) mutation to S: Decreased solubility, loss of dimerization and strongly decreased activity.
E149 (= E140) mutation to D: Small effect on NAD(+) interaction, but 40% loss of efficiency. Ability to use NADP(+). 70% loss of efficiency with NAD(+); when associated with V-200. Impaired affinity for both cofactors and decreased catalytic efficiency; when associated with G-200.; mutation to N: Ability to use NADP(+) and 33% decreased efficiency with NAD(+). 70% loss of efficiency with NAD(+); when associated with V-200. Impaired affinity for both cofactors and decreased catalytic efficiency; when associated with G-200.; mutation to Q: Loss of specificity for NAD(+) and loss of 25% efficiency. 15% efficiency with NAD(+); when associated with V-200. Impaired affinity for both cofactors and decreased catalytic efficiency; when associated with G-200.; mutation to T: Loss of specificity and increased NADP(+) binding. Decreased catalytic efficiency. Loss of cofactor specificity and same lower efficiency with both; when associated with V-200. Impaired affinity for both cofactors and decreased catalytic efficiency; when associated with G-200. Changed coenzyme preference from NAD(+) to NADP(+), but no effect on the catalytic efficiency; when associated with R-178 and V-200.
V178 (= V169) mutation to R: Changed coenzyme preference from NAD(+) to NADP(+), but no effect on the catalytic efficiency; when associated with T-149 and V-200.
I200 (≠ V191) mutation to G: Changed coenzyme preference from NAD(+) to NADP(+), but impaired affinities for both cofactors. No effect on the interaction with the substrate. Impaired affinities for both cofactors and decreased catalytic efficiencies; when associated with D-149, Q-149, N-149 or T-149.; mutation to V: Also able to use NADP(+) as coenzyme, but no effect on the interaction with the substrate. 15% efficiency with NAD(+); when associated with Q-149. 70% loss of efficiency with NAD(+); when associated with D-149 or N-149. Loss of cofactor specificity and same lower efficiency with both; when associated with T-149. Changed coenzyme preference from NAD(+) to NADP(+), but no effect on the catalytic efficiency; when associated with T-149 and R-178.
C247 (≠ L237) mutation to S: No effect on solubility, but 10% loss of activity.
C253 (= C243) mutation to S: No effect on solubility, but loss of activity.

Q80VQ0 Aldehyde dehydrogenase family 3 member B1; Aldehyde dehydrogenase 7; EC 1.2.1.28; EC 1.2.1.5; EC 1.2.1.7 from Mus musculus (Mouse) (see paper)
42% identity, 98% coverage: 4:446/453 of query aligns to 5:451/468 of Q80VQ0

query
sites
Q80VQ0

E

E

R

D

I

K

L

L

Q

Q

S

Q

Q

L

R

R

D

E

F

A

F

F

A

K

T

E

H

G

Q

R

T

T

K

R

S

S

P

A

A

E

F

F

R

R

K

A

M

A

Y

Q

L

L

E

Q

K

G

L

L

K

S

N

H

L

F

I

L

V

R

S

D

N

N

E

K

N

Q

M

Q

L

L

Y

Q

E

E

A

A

I

L

Y

A

K

Q

D

D

F

L

G

H

K

K

S

S

R

A

F

F

D

E

T

A

F

E

T

V

T

S

E

E

L

I

S

A

F

I

V

S

L

Q

K

A

D

E

I

V

D

D

Y

L

Y

A

L

L

K

R

N

N

L

L

K

R

S

S

L

W

T

M

R

K

P

D

E

E

K

K

V

V

S

S

T

K

N

N

L

L

A

A

N

T

Q

Q

L

L

G

D

N

S

S

A

R

F

I

I

Y

R

A

K

D

E

P

P

L

F

G

G

C

L

I

V

L

L

V

I

I

I

G

V

A

P

W

W

N

N

Y

Y

P

P

Y

I

Q

N

L

L

S

T

L

L

S

V

P

P

V

L

I

V

A

G

A

A

M

I

A

A

G

G

N

N

C

C

C

V

I

V

L

L

K

K

P

P

S

S

E

E

I

I

A

S

E

K

N

A

T

T

M

E

K

K

A

I

M

L

A

A

Q

E

I

V

I

L

N

P

E

R

N

Y

F

L

P

D

A

Q

E

S

Y

C

L

F

Y

T

V

V

Y

V

E

L

G

G

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R

E

Q

E

E

T

T

T

G

K

Q

L

L

K

E

L

H

K

K

F

F

D

D

K

Y

I

I

F

F

T

T

G

G

S

N

T

A

R

Y

V

V

G

G

K

K

I

I

V

V

Y

M

K

A

A

A

E

K

H

H

L

L

T

T

P

P

V

I

V

T

L

L

E

E

L

L

G

G

K

K

S

N

P

P

A

C

I

Y

V

V

T

D

K

D

D

N

A

C

N

D

L

P

D

Q

I

I

A

V

A

A

K

N

R

R

I

V

V

A

W

W

G

F

K

R

F

Y

L

F

N

N

A

A

G

G

Q

Q

T

T

C

C

V

V

A

A

P

P

D

D

Y

Y

L

I

L

L

V

C

E

S

E

Q

T

E

V

M

Q

Q

E

E

Q

R

F

L

L

V

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P

M

A

L

L

R

Q

K

N

Y

A

I

I

K

T

E

R

F

F

-

Y

-

G

-

D

-

N

-

P

Q

Q

Y

T

T

S

P

P

D

N

S

-

E

-

Q

-

Y

L

T

G

R

R

I

I

N

N

L

Q

K

K

N

H

F

F

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K

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R

G

L

L

I

L

D

G

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C

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G

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V

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A

F

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G

G

N

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N

D

V

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G

Q

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Y

Y

I

I

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A

P

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I

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Y

D

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G

Q

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D

E

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P

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V

M

M

Q

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E

I

I

F

F

G

G

P

P

L

I

L

L

P

P

V

L

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V

G

T

F

V

K

R

N

S

Y

L

N

D

A

E

A

A

L

I

N

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D

F

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M

L

N

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R

L

R

E

E

K

K

P

P

L

L

A

A

A

L

Y

Y

L

A

F

F

T

S

H

K

N

R

S

S

E

Q

E

V

K

I

E

K

A

Q

F

V

T

L

R

A

K

R

L

T

S

S

F

S

G

G

G

F

C

C

I

G

N

N

D

D

T

G

V

F

M

M

H

H

L

M

S

T

N

L

D

S

H

S

L

L

P

P

F

F

G

G

V

V

G

G

N

T

S

S

G

G

I

M

G

G

S

R

Y

Y

H

H

G

G

K

K

F

F

G

S

F

F

E

D

A

T

F

F

T

S

H

N

Q

Q

K

R

A

A