SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing Ac3H11_4184 Aldehyde dehydrogenase B (EC 1.2.1.22) 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)

P25526 Succinate-semialdehyde dehydrogenase [NADP(+)] GabD; SSDH; Glutarate-semialdehyde dehydrogenase; EC 1.2.1.79; EC 1.2.1.- from Escherichia coli (strain K12) (see paper)
59% identity, 97% coverage: 11:492/498 of query aligns to 3:481/482 of P25526

query
sites
P25526

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WN 156:157 (= WN 162:163) binding
KPAS 180:183 (≠ KPAE 186:189) binding
GS 233:234 (= GS 242:243) binding
L256 (= L265) binding
E386 (= E397) binding

3jz4A Crystal structure of e. Coli NADP dependent enzyme (see paper)
59% identity, 97% coverage: 11:492/498 of query aligns to 2:480/481 of 3jz4A

query
sites
3jz4A

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active site: N156 (= N163), K179 (= K186), E254 (= E264), C288 (= C298), E385 (= E397), E462 (= E474)
binding nadp nicotinamide-adenine-dinucleotide phosphate: P154 (= P161), W155 (= W162), K179 (= K186), A181 (= A188), S182 (≠ E189), A212 (≠ S219), G216 (= G226), G232 (= G242), S233 (= S243), I236 (≠ V246), C288 (= C298), K338 (= K348), E385 (= E397), F387 (= F399)

P51649 Succinate-semialdehyde dehydrogenase, mitochondrial; Aldehyde dehydrogenase family 5 member A1; NAD(+)-dependent succinic semialdehyde dehydrogenase; EC 1.2.1.24 from Homo sapiens (Human) (see 5 papers)
57% identity, 96% coverage: 16:494/498 of query aligns to 58:535/535 of P51649

query
sites
P51649

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Y

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R
|
R

N
|
N

A

T

G

G

Q

Q

T

T

C
|
C

V

V

C
|
C

T

S

N

N

R

Q

F

F

Y

L

V

V

Q

Q

E

R

G

G

V

I

Y

H

D

D

E

A

F

F

V

V

A

K

K

A

F

F

A

A

-

E

A

A

K

M

V

K

K

K

T

N

A

L

K

R

V

V

G

G

N
|
N

G

G

F

F

E

E

A

E

G

G

V

T

N

T

Q

Q

G

G

P
|
P

L

L

I

I

E

N

E

E

A

K

A

A

L

V

T

E

K

K

V

V

Q

E

R

K

H

Q

V

V

D

N

D

D

A

A

L

V

A

S

K

K

G

G

G

A

Q

T

V
|
V

V

V

A

T

G
|
G

G

G

Q

K

R

R

L

-

T

H

A

Q

L

L

G

G

S

K

G

-

Q

N

F

F

F

F

E

E

P

P

T

T

V

L

V

L

A

C

N

N

A

V

T

T

A

Q

D

D

M

M

L

L

C

C

A

T

R

H

E

E

E

E

T

T

F

F

G

G

P

P

F

L

A

A

P

P

V

V

F

I

K

K

F

F

K

D

T

T

E

E

Q

E

E

E

A

A

I

I

D

A

A

I

A

A

N

N

N

A

T

A

E

D

F

V

G

G

L

L

A

A

S

G

Y

Y

F

F

Y

Y

S

S

R

Q

D

D

V

P

G

A

R

Q

I

I

F

W

R

R

V

V

T

A

E

E

A

Q

L

L

E

E

Y

V

G

G

M

M

V

V

G

G

A

V

N

N

V

E

G

G

I

L

L

I

A
x
S

T

S

E

V

H

E

V

C

P

P

F

F

G

G

G

G

V

V

K

K

Q

Q

S

S

G

G

L

L

G

G

R

R

E

E

G

G

S

S

H

K

H

Y

G

G

M

I

D

D

D

E

Y

Y

V

L

E

E

I

L

K

K

Y

Y

L

V

C

C

L

Y

G
|
G

D

G

I

L

C93 (≠ L51) to F: in SSADHD; 3% of activity; dbSNP:rs765561257
G176 (= G134) to R: in SSADHD; <1% of activity; dbSNP:rs72552281
H180 (≠ P138) to Y: 83% of activity; dbSNP:rs2760118
P182 (≠ F140) to L: 48% of activity; dbSNP:rs3765310
R213 (= R171) binding ; mutation to A: Reduces catalytic activity to less than 15% of wild-type.
C223 (= C181) to Y: in SSADHD; 5% of activity; dbSNP:rs72552282
KPAE 228:231 (= KPAE 186:189) binding
T233 (= T191) to M: in SSADHD; 4% of activity; dbSNP:rs1326526453
A237 (= A195) to S: 65% of activity; dbSNP:rs62621664
N255 (= N213) to S: in SSADHD; 17% of activity; dbSNP:rs145087265
G268 (= G226) to E: in SSADHD; <1% of activity; dbSNP:rs375628463
GSTTTG 284:289 (≠ GSTEVG 242:247) binding
R334 (= R292) binding ; mutation to A: Reduces catalytic activity to less than 15% of wild-type.
N335 (= N293) to K: in SSADHD; 1% of activity; dbSNP:rs72552283
C340 (= C298) modified: Disulfide link with 342, In inhibited form
C342 (= C300) modified: Disulfide link with 340, In inhibited form; mutation to A: Loss of regulation by redox state.
N372 (= N329) natural variant: N -> S
P382 (= P339) to L: in SSADHD; 2% of activity
V406 (= V363) to I: in dbSNP:rs143741652
G409 (= G366) to D: in SSADHD; <1% of activity; dbSNP:rs118203984
S498 (≠ A457) binding ; mutation to A: Reduces catalytic activity to less than 15% of wild-type.
G533 (= G492) to R: in SSADHD; <1% of activity; dbSNP:rs72552284

Sites not aligning to the query:

36 G → R: no effect on succinate-semialdehyde dehydrogenase activity; dbSNP:rs4646832

2w8rA The crystal structure of human ssadh in complex with NAD+ (see paper)
57% identity, 96% coverage: 16:494/498 of query aligns to 8:485/485 of 2w8rA

query
sites
2w8rA

L

L

L

L

K

R

T

T

D

D

G

S

L

F

I

V

N

G

G

G

Q

R

W

W

V

L

V

P

G

A

S

A

S

A

R

T

F

F

D

P

V

V

N

Q

D

D

P

P

A

A

T

S

G

G

L

A

K

A

L

L

A

G

D

M

V

V

A

A

N

D

L

C

G

G

P

V

A

R

D

E

A

A

E

R

A

A

A

A

I

V

A

R

A

A

A

A

N

Y

A

E

A

A

W

F

G

C

P

R

W

W

K

R

T

E

K

V

T

S

A

A

K

K

E

E

R

R

S

S

I

S

I

L

L

L

R

R

K

K

W

W

F

Y

D

N

L

L

L

M

M

I

A

Q

N

N

Q

K

D

D

D

D

L

L

G

A

R

R

I

I

M

I

T

T

A

A

E

E

Q

S

G

G

K

K

P

P

L

L

A

K

E

E

A

A

K

H

G

G

E

E

V

I

A

L

Y

Y

G

S

A

A

S

F

F

F

V

L

E

E

W

W

F

F

A

S

E

E

E

E

A

A

K

R

R

R

I

V

N

Y

G

G

E

D

T

I

L

I

P

H

Q

T

F

P

D

A

N

K

N

D

R

R

R

R

L

A

M

L

V

V

L

L

K

K

Q

Q

P

P

I

I

G

G

V

V

C

A

A

A

A

V

I

I

T
|
T

P

P

W

W

N
|
N

F

F

P

P

L

S

A

A

M

M

I

I

T

T

R

R

K

K

V

V

A

G

P

A

A

A

L

L

A

A

A

A

G

G

C

C

P

T

V

V

V

V

I

V

K
|
K

P

P

A

A

E

E

L

D

T

T

P

P

L

F

T

S

A

A

L

L

A

A

A

L

A

A

E

E

L

L

A

A

I

S

R

Q

A

A

G

G

I

I

P

P

A

S

G

G

V

V

F

Y

N

N

I

V

L

I

P

P

A

C

D

S

S

R

D

K

N

N

S
x
A

I

K

A

E

I

V

G

G

K

E

V

A

L

I

C

C

A

T

S

D

D

P

V

L

V

V

R

S

H

K

I

I

S

S

F

F

T

T

G

G

S
|
S

T

T

E

T

V
x
T

G

G

R

K

I

I

L

L

M

L

A

H

Q

H

S

A

A

A

P

N

T

S

V

V

K

K

K

R

M

V

S

S

L

M

E
|
E

L

L

G

G

G

G

N

L

A

A

P

P

F

F

I

I

V

V

F

F

D

D

D

S

A

A

D

N

I

V

D

D

S

Q

A

A

V

V

E

A

G

G

A

A

F

M

A

A

S

S

K

K

Y

F

R

R

N

N

A

T

G

G

Q

Q

T

T

C
x
A

V

V

C

C

T

S

N

N

R

Q

F

F

Y

L

V

V

Q

Q

E

R

G

G

V

I

Y

H

D

D

E

A

F

F

V

V

A

K

K

A

F

F

A

A

-

E

A

A

K

M

V

K

K

K

T

N

A

L

K

R

V

V

G

G

N

N

G

G

F

F

E

E

A

E

G

G

V

T

N

T

Q

Q

G

G

P

P

L

L

I

I

E

N

E

E

A

K

A

A

L

V

T

E

K

K

V

V

Q

E

R

K

H

Q

V

V

D

N

D

D

A

A

L

V

A

S

K

K

G

G

G

A

Q

T

V

V

V

V

A

T

G

G

G

G

Q

K

R

R

L

-

T

H

A

Q

L

L

G

G

S

K

G

-

Q

N

F

F

F

F

E

E

P

P

T

T

V

L

V

L

A

C

N

N

A

V

T

T

A

Q

D

D

M

M

L

L

C

C

A

T

R

H

E

E

E
|
E

T

T

F

F

G

G

P

P

F

L

A

A

P

P

V

V

F

I

K

K

F

F

K

D

T

T

E

E

Q

E

E

E

A

A

I

I

D

A

A

I

A

A

N

N

N

A

T

A

E

D

F

V

G

G

L

L

A

A

S

G

Y

Y

F

F

Y

Y

S

S

R

Q

D

D

V

P

G

A

R

Q

I

I

F

W

R

R

V

V

T

A

E

E

A

Q

L

L

E

E

Y

V

G

G

M

M

V

V

G

G

A

V

N

N

V

E

G

G

I

L

L

I

A

S

T

S

E

V

H

E

V

C

P

P

F

F

G

G

G

G

V

V

K

K

Q

Q

S

S

G

G

L

L

G

G

R

R

E
|
E

G

G

S

S

H

K

H

Y

G

G

M

I

D

D

D

E

Y

Y

V

L

E

E

I

L

K

K

Y

Y

L

V

C

C

L

Y

G

G

D

G

I

L

active site: N155 (= N163), K178 (= K186), E256 (= E264), A290 (≠ C298), E388 (= E397), E465 (= E474)
binding adenosine-5'-diphosphate: T152 (= T160), K178 (= K186), A214 (≠ S222), S235 (= S243), T238 (≠ V246)

2w8qA The crystal structure of human ssadh in complex with ssa. (see paper)
57% identity, 96% coverage: 16:494/498 of query aligns to 8:485/485 of 2w8qA

query
sites
2w8qA

L

L

L

L

K

R

T

T

D

D

G

S

L

F

I

V

N

G

G

G

Q

R

W

W

V

L

V

P

G

A

S

A

S

A

R

T

F

F

D

P

V

V

N

Q

D

D

P

P

A

A

T

S

G

G

L

A

K

A

L

L

A

G

D

M

V

V

A

A

N

D

L

C

G

G

P

V

A

R

D

E

A

A

E

R

A

A

A

A

I

V

A

R

A

A

A

A

N

Y

A

E

A

A

W

F

G

C

P

R

W

W

K

R

T

E

K

V

T

S

A

A

K

K

E

E

R

R

S

S

I

S

I

L

L

L

R

R

K

K

W

W

F

Y

D

N

L

L

L

M

M

I

A

Q

N

N

Q

K

D

D

D

D

L

L

G

A

R

R

I

I

M

I

T

T

A

A

E

E

Q

S

G

G

K

K

P

P

L

L

A

K

E

E

A

A

K

H

G

G

E

E

V

I

A

L

Y

Y

G

S

A

A

S

F

F

F

V

L

E

E

W

W

F

F

A

S

E

E

E

E

A

A

K

R

R

R

I

V

N

Y

G

G

E

D

T

I

L

I

P

H

Q

T

F

P

D

A

N

K

N

D

R

R

R

R

L

A

M

L

V

V

L

L

K

K

Q

Q

P

P

I

I

G

G

V

V

C

A

A

A

A

V

I

I

T

T

P

P

W

W

N
|
N

F

F

P

P

L

S

A

A

M

M

I

I

T

T

R
|
R

K

K

V

V

A

G

P

A

A

A

L

L

A

A

A

A

G

G

C

C

P

T

V

V

V

V

I

V

K
|
K

P

P

A

A

E

E

L

D

T

T

P

P

L

F

T

S

A

A

L

L

A

A

A

L

A

A

E

E

L

L

A

A

I

S

R

Q

A

A

G

G

I

I

P

P

A

S

G

G

V

V

F

Y

N

N

I

V

L

I

P

P

A

C

D

S

S

R

D

K

N

N

S

A

I

K

A

E

I

V

G

G

K

E

V

A

L

I

C

C

A

T

S

D

D

P

V

L

V

V

R

S

H

K

I

I

S

S

F

F

T

T

G

G

S

S

T

T

E

T

V

T

G

G

R

K

I

I

L

L

M

L

A

H

Q

H

S

A

A

A

P

N

T

S

V

V

K

K

K

R

M

V

S

S

L

M

E
|
E

L

L

G

G

G

G

N

L

A

A

P

P

F

F

I

I

V

V

F

F

D

D

D

S

A

A

D

N

I

V

D

D

S

Q

A

A

V

V

E

A

G

G

A

A

F

M

A

A

S

S

K

K

Y

F

R
|
R

N

N

A

T

G

G

Q

Q

T

T

C
x
A

V

V

C

C

T

S

N

N

R

Q

F

F

Y

L

V

V

Q

Q

E

R

G

G

V

I

Y

H

D

D

E

A

F

F

V

V

A

K

K

A

F

F

A

A

-

E

A

A

K

M

V

K

K

K

T

N

A

L

K

R

V

V

G

G

N

N

G

G

F

F

E

E

A

E

G

G

V

T

N

T

Q

Q

G

G

P

P

L

L

I

I

E

N

E

E

A

K

A

A

L

V

T

E

K

K

V

V

Q

E

R

K

H

Q

V

V

D

N

D

D

A

A

L

V

A

S

K

K

G

G

G

A

Q

T

V

V

V

V

A

T

G

G

G

G

Q

K

R

R

L

-

T

H

A

Q

L

L

G

G

S

K

G

-

Q

N

F

F

F

F

E

E

P

P

T

T

V

L

V

L

A

C

N

N

A

V

T

T

A

Q

D

D

M

M

L

L

C

C

A

T

R

H

E

E

E
|
E

T

T

F

F

G

G

P

P

F

L

A

A

P

P

V

V

F

I

K

K

F

F

K

D

T

T

E

E

Q

E

E

E

A

A

I

I

D

A

A

I

A

A

N

N

N

A

T

A

E

D

F

V

G

G

L

L

A

A

S

G

Y

Y

F

F

Y

Y

S

S

R

Q

D

D

V

P

G

A

R

Q

I

I

F

W

R

R

V

V

T

A

E

E

A

Q

L

L

E

E

Y

V

G

G

M

M

V

V

G

G

A

V

N

N

V

E

G

G

I

L

L

I

A
x
S

T

S

E

V

H

E

V

C

P

P

F

F

G

G

G

G

V

V

K

K

Q

Q

S

S

G

G

L

L

G

G

R

R

E
|
E

G

G

S

S

H

K

H

Y

G

G

M

I

D

D

D

E

Y

Y

V

L

E

E

I

L

K

K

Y

Y

L

V

C

C

L

Y

G

G

D

G

I

L

active site: N155 (= N163), K178 (= K186), E256 (= E264), A290 (≠ C298), E388 (= E397), E465 (= E474)
binding succinic acid: R163 (= R171), R284 (= R292), A290 (≠ C298), S448 (≠ A457)

8c54A Cryo-em structure of nadh bound sla dehydrogenase rlgabd from rhizobium leguminosarum bv. Trifolii srd1565
55% identity, 97% coverage: 11:494/498 of query aligns to 2:482/482 of 8c54A

query
sites
8c54A

L

L

N

K

D

D

P

P

T

A

L

L

L

L

K

T

T

D

D

K

G

A

L

F

I

V

N

A

G

G

Q

A

W

W

V

I

V

G

G

A

-

P

-

D

S

G

S

K

R

S

F

I

D

A

V

V

N

T

D

D

P

P

A

F

T

D

G

G

L

A

K

L

L

I

A

A

D

N

V

V

A

P

N

D

L

L

G

G

P

Q

A

A

D

V

A

V

E

A

A

Q

A

A

I

I

A

D

A

A

A

A

N

A

A

E

A

A

W

Q

G

K

P

L

W

W

K

E

T

R

K

R

T

T

A

A

K

K

E

E

R

R

S

A

I

Q

I

V

L

L

R

K

K

R

W

W

F

Y

D

D

L

L

L

I

M

V

A

E

N

N

Q

A

D

D

D

D

L

L

G

A

R

L

I

I

M

L

T

T

A

T

E

E

Q

Q

G

G

K

K

P

P

L

L

A

A

E

E

A

A

K

R

G

G

E

E

V

V

A

V

Y

S

G

N

A

A

S

A

F

Y

V

L

E

E

W

W

F

F

A

A

E

E

E

E

A

A

K

K

R

R

I

I

N

D

G

G

E

D

T

I

L

I

P

P

Q

G

F

P

D

N

N

A

N

G

R

Q

R

R

L

I

M

M

V

V

L

L

K

K

Q

Q

P

P

I

V

G

G

V

V

C

C

A

A

A

A

I
|
I

T
|
T

P
|
P

W

W

N

N

F

F

P

P

L

N

A

G

M

M

I

I

T

T

R

R

K

K

V

A

A

G

P

P

A

A

L

L

A

A

A

A

G

G

C

C

P

S

V

M

V

I

I

L

K
|
K

P

P

A

A

E

S

L

Q

T

T

P

P

L

L

T

S

A

A

L

L

A

A

A

L

A

A

E

V

L

L

A

A

I

E

R

R

A

A

G

G

I

V

P

P

A

K

G

G

V

V

F

F

N

S

I

V

L

V

P

T

A

G

D

E

S
x
A

D
x
K

N

-

S

-

I

-

A

P

I

I

G

G

K

L

V

E

L

F

C

C

A

H

S

N

D

P

V

R

V

I

R

A

H

K

I

I

S

T

F
|
F

T
|
T

G
|
G

S
|
S

T

T

E

G

V
|
V

G

G

R

R

I
x
W

L

L

M

M

A

K

Q

E

S

A

A

A

P

G

T

G

V

I

K

K

K

R

M

L

S

S

L

L

E

E

L

L

G
|
G

G

G

N

N

A

A

P

P

F

F

I

I

V

V

F

F

D

D

D

D

A

A

D

D

I

L

D

D

S

A

A

A

V

V

E

E

G

G

A

A

F

M

A

I

S

S

K

K

Y

F

R

R

N

N

A

A

G

G

Q

Q

T

T

C

C

V

V

C

C

T

A

N

N

R

R

F

I

Y

Y

V

V

Q

Q

E

E

G

S

V

V

Y

A

D

A

E

A

F

F

V

T

A

E

K

R

F

L

A

L

A

A

K

K

V

V

K

S

T

G

A

L

K

S

V

L

G

G

N

R

G

G

F

T

E

D

A

A

G

G

V

V

N

S

Q

Q

G

G

P

P

L

L

I

I

E

D

E

E

A

K

A

A

L

V

T

A

K

K

V

M

Q

E

R

E

H

H

V

I

D

A

D

D

A

A

L

M

A

A

K

N

G

G

G

G

Q

T

V

V

V

L

A

T

G

G

G

G

Q

K

R

R

L

-

T

S

A

V

L

L

G

G

S

-

G

G

Q

T

F

F

F

F

E

E

P

P

T

T

V

V

V

V

A

T

N

G

A

V

T

T

A

Q

D

T

M

M

L

K

C

V

A

A

R

K

E

E

E

E

T

T

F

F

G

A

P

P

F

L

A

A

P

P

V

I

F

I

K

S

F

F

K

K

T

H

E

E

Q

N

E

D

A

V

I

I

D

A

A

M

A

A

N

N

N

D

T

S

E

E

F

F

G

G

L

L

A

A

S

S

Y

Y

F

F

Y

Y

S

A

R

K

D

D

V

M

G

A

R

R

I

I

F

W

R

R

V

V

T

A

E

E

A

A

L

L

E

E

Y

A

G

G

M

M

V

V

G

G

A

V

N

N

V

T

G

G

I

M

L

I

A

A

T

N

E

E

H

M

V

A

P

P

F

F

G

G

G

G

V

I

K

K

Q

Q

S

S

G

G

L

T

G

G

R

R

E

E

G

G

S

S

H

K

H

Y

G

G

M

I

D

E

D

G

Y

F

V

L

E

E

I

L

K

K

Y

Y

L

V

C

A

L

L

G

G

D

G

I

M

binding 1,4-dihydronicotinamide adenine dinucleotide: I152 (= I159), T153 (= T160), P154 (= P161), K179 (= K186), A212 (≠ S219), K213 (≠ D220), F230 (= F240), T231 (= T241), G232 (= G242), S233 (= S243), V236 (= V246), W239 (≠ I249), G256 (= G266)

4pz2B Structure of zm aldh2-6 (rf2f) in complex with NAD (see paper)
40% identity, 96% coverage: 10:487/498 of query aligns to 2:482/494 of 4pz2B

query
sites
4pz2B

L

L

L

F

N

D

D

V

P

P

T

E

L

I

L

R

K

F

T

T

D

K

G

L

L

F

I

I

N

N

G

G

Q

S

W

F

V

V

-

D

-

A

V

V

G

S

S

G

S

R

R

T

F

F

D

D

V

T

N

R

D

D

P

P

A

R

T

T

G

G

L

G

K

V

L

I

A

A

D

S

V

V

A

A

N

E

L

A

G

D

P

K

A

E

D

D

A

V

E

D

A

L

A

A

I

V

A

R

A

A

A

A

N

R

A

A

A

A

W

F

-

D

-

H

G

G

P

E

W

W

K

P

T

R

K

M

T

S

A

G

K

S

E

E

R

R

S

G

I

R

I

I

L

M

R

A

K

R

W

L

F

A

D

D

L

L

L

V

M

E

A

E

N

H

Q

A

D

G

D

E

L

L

G

A

R

A

I

L

M

E

T

S

A

L

E

D

Q

A

G

G

K

K

-

H

P

P

L

A

A

V

E

T

A

R

K

A

G

V

E

D

V

V

A

G

Y

N

G

A

A

A

S

G

F

S

V

L

E

R

W

Y

F

F

A

A

E

G

E

A

A

A

K

D

R

K

I

I

N

H

G

G

E

E

T

T

L

L

P

K

-

M

-

P

-

G

Q

Q

F

F

D

Q

N

G

N

H

R

-

R

-

L

-

M

-

V

T

L

L

K

R

Q

E

P

P

I

L

G

G

V

V

C

A

A

G

A

V

I
|
I

T
x
I

P
|
P

W
|
W

N
|
N

F

F

P

P

L

S

A

T

M
|
M

I

F

T

A

R

V

K

K

V

V

A

A

P

P

A

A

L

L

A

A

A

A

G

G

C

C

P

A

V

L

V

V

I

V

K
|
K

P

P

A
|
A

E
|
E

L

Q

T

T

P

P

L

L

T

S

A

A

L

L

A

Y

A

L

A

A

E

Q

L

L

A

A

I

K

R

Q

A

A

G

G

I

V

P

P

A

D

G

G

V

V

F

I

N

N

I

V

L

V

P

P

A

G

D

F

S
x
G

D

P

N

T

S

A

I

-

A

-

I

-

G
|
G

K

A

V

A

L

L

C

A

A

S

S

H

D

M

V

D

V

V

R

D

H

M

I

V

S

S

F
|
F

T
|
T

G
|
G

S
|
S

T

T

E

E

V
|
V

G

G

R

R

I

L

L

I

M

M

A

K

Q

A

S

S

A

A

P

E

T

S

-

N

V

L

K

K

K

P

M

V

S

Y

L

L

E
|
E

L
|
L

G

G

G

G

N

K

A

S

P

P

F

L

I

I

V

V

F

F

D

D

D

D

A

A

D

D

I

L

D

D

S

M

A

A

V

V

E

E

G

L

A

A

F

V

A

G

S

A

K

S

Y

F

R

F

N

N

A

K

G

G

Q

E

T

A

C
|
C

V

V

C

A

T

A

N

S

R

R

F

V

Y

Y

V

V

Q

Q

E

E

G

R

V

V

Y

Y

D

D

E

R

F

F

V

E

A

E

K

R

F

L

A

A

A

E

K

R

V

M

K

R

T

S

A

W

K

V

V

V

G

G

N

D

G

P

F

F

-

S

E

D

A

P

G

R

V

A

N

D

Q

Q

G

G

P

P

L

Q

I

V

E

D

E

K

A

A

A

Q

L

Y

T

E

K

R

V

V

Q

L

R

S

H

Y

V

I

D

D

D

H

A

G

L

K

A

R

K

E

G

G

G

A

Q

T

V

L

V

L

A

T

G

G

G

G

Q

R

R

P

L

C

T

A

A

P

L

E

G

G

S

K

G

G

Q

Y

F

Y

F

I

E

E

P

P

T

T

V

V

V

F

A

T

N

N

A

V

T

K

A

E

D

D

M

M

L

I

C

I

A

A

R

K

E

E

E
|
E

T

I

F
|
F

G

G

P

P

F

V

A

M

P

C

V

L

F

M

K

K

F

F

K

K

T

T

E

V

Q

E

E

E

A

A

I

I

D

A

A

R

A

A

N

N

N

D

T

T

E

R

F

Y

G

G

L

L

A

G

S

A

Y

G

F

V

Y

V

S

T

R

R

D

D

V

L

G

D

R

V

I

A

F

N

R

R

V

V

T

V

E

R

A

S

L

V

E

R

Y

A

G

G

M

V

V

V

G

W

A

V

N

N

V

C

G

Y

I

F

L

A

A

M

T

G

E

S

H

D

V

C

P

P

F

F

G

G

G

G

V

R

K

K

Q

M

S

S

G

G

L

F

G

G

R

K

E
x
D

G

E

S

G

H

M

H

H

G

A

M

L

D

D

D

K

Y

Y

V

L

E

A

I

V

K

K

active site: N159 (= N163), K182 (= K186), E258 (= E264), C292 (= C298), E392 (= E397), D469 (≠ E474)
binding nicotinamide-adenine-dinucleotide: I155 (= I159), I156 (≠ T160), P157 (= P161), W158 (= W162), N159 (= N163), M164 (= M168), K182 (= K186), A184 (= A188), E185 (= E189), G215 (≠ S219), G219 (= G226), F233 (= F240), T234 (= T241), G235 (= G242), S236 (= S243), V239 (= V246), E258 (= E264), L259 (= L265), C292 (= C298), E392 (= E397), F394 (= F399)

5x5uA Crystal structure of alpha-ketoglutarate-semialdehyde dehydrogenase (kgsadh) complexed with NAD (see paper)
39% identity, 96% coverage: 15:491/498 of query aligns to 1:474/476 of 5x5uA

query
sites
5x5uA

T

T

L

Y

L

T

K

D

T

T

D

Q

G

L

L

L

I

I

N

D

G

G

Q

E

W

W

V

V

V
x
D

G
x
A

S
x
A

S

S

-
x
G

-

K

R

T

F

I

D

D

V

V

N

V

D

N

P

P

A

A

T

T

G

G

L

K

K

P

L

I

A

G

D

R

V

V

A

A

N

H

L

A

G

G

P

I

A

A

D

D

A

L

E

D

A

R

A

A

I

L

A

A

A

A

A

A

N

Q

A

S

A

G

W

F

G

E

P

A

W

W

K

R

T

K

K

V

T

P

A

A

K

H

E

E

R

R

S

A

I

A

I

T

L

M

R

R

K

K

W

A

F

A

D

A

L

L

L

V

M

R

A

E

N

R

Q

A

D

D

D

A

L

I

G

A

R

Q

I

L

M

M

T

T

A

Q

E

E

Q

Q

G

G

K

K

P

P

L

L

A

T

E

E

A

A

K

R

G

V

E

E

V

V

A

L

Y

S

G

A

A

A

S

D

F

I

V

I

E

E

W

W

F

F

A

A

E

D

E

E

A

G

K

R

R

R

I

V

N

Y

G

G

E

R

T

I

L

V

P

P

Q

P

F

R

D

N

N

L

N

G

R

A

R

Q

L

Q

M

T

V

V

L

V

K

K

Q

E

P

P

I

V

G

G

V

P

C

V

A

A

A

A

I

F

T

T

P
|
P

W

W

N
|
N

F

F

P

P

L

V

A

N

M

Q

I

V

T

V

R

R

K

K

V

L

A

S

P

A

A

A

L

L

A

A

A

T

G

G

C

C

P

S

V

F

V

L

I

V

K
|
K

P

A

A

P

E

E

L

E

T

T

P

P

L

A

T

S

A

P

L

A

A

A

A

L

A

L

E

R

L

A

A

F

I

V

R

D

A

A

G

G

I

V

P

P

A

A

G

G

V

V

F

I

N

G

I

L

L

V

P

Y

A

G

D

D

S
x
P

D
x
A

N

E

S

-

I

-

A

-

I

I

G
x
S

K

S

V

Y

L

L

C

I

A

P

S

H

D

P

V

V

V

I

R

R

H

K

I

V

S

T

F

F

T

T

G
|
G

S
|
S

T

T

E

P

V
|
V

G

G

R

K

I

Q

L

L

M

A

A

S

Q

L

S

A

A

G

P

L

T

H

V

M

K

K

K

R

M

A

S

T

L

M

E
|
E

L

L

G

G

G

G

N

H

A

A

P

P

F

V

I

I

V

V

F

A

D

E

D

D

A

A

D

D

I

V

D

A

S

L

A

A

V

V

E

K

G

A

A

A

F

G

A

G

S

A

K

K

Y

F

R

R

N

N

A

A

G

G

Q

Q

T

V

C
|
C

V

I

C

S

T

P

N

T

R

R

F

F

Y

L

V

V

Q

H

E

N

G

S

V

I

Y

R

D

D

E

E

F

F

V

T

A

R

K

A

F

L

A

V

A

K

K

H

V

A

K

E

T

G

A

L

K

K

V

V

G

G

N

N

G

G

F

L

E

E

A

E

G

G

V

T

N

T

Q

L

G

G

P

A

L

L

I

A

E

N

E

P

A
x
R

A
x
R

L

L

T

T

K

A

V

M

Q

A

R

S

H

V

V

I

D

D

D

N

A

A

L

R

A

K

K

V

G

G

G

A

Q

S

V

I

V

E

A

T

G

G

G

G

Q

E

R

R

L

I

T

G

A

S

L

-

G

-

S

E

G

G

Q

N

F

F

F

F

E

A

P

P

T

T

V

V

V

I

A

A

N

N

A

V

T

P

A

L

D

D

M

A

L

D

C

V

A

F

R

N

E

N

E
|
E

T

P

F
|
F

G

G

P

P

F

V

A

A

P

A

V

I

F

R

K

G

F

F

K

D

T

K

E

L

Q

E

E

E

A

A

I

I

D

A

A

E

A

A

N

N

N

R

T

L

E

P

F

F

G

G

L

L

A

A

S

G

Y

Y

F

A

Y

F

S

T

R

R

D

S

V

F

G

A

R

N

I

V

F

H

R

L

V

L

T

T

E

Q

A

R

L

L

E

E

Y

V

G

G

M

M

V

L

G

W

A

I

N

N

V

Q

G

P

I

A

L

T

A

P

T

W

E

P

H

E

V

M

P

P

F

F

G

G

G

G

V

V

K

K

Q

D

S

S

G

G

L

Y

G

G

R

S

E
|
E

G

G

S

G

H

P

H

E

G

A

M

L

D

E

D

P

Y

Y

V

L

E

V

I

T

K

K

Y

S

L

V

C

T

L

V

active site: N151 (= N163), K174 (= K186), E249 (= E264), C283 (= C298), E380 (= E397), E457 (= E474)
binding glycerol: D15 (≠ V29), A16 (≠ G30), A17 (≠ S31), G19 (vs. gap)
binding nicotinamide-adenine-dinucleotide: P149 (= P161), P207 (≠ S219), A208 (≠ D220), S211 (≠ G226), G227 (= G242), S228 (= S243), V231 (= V246), R329 (≠ A344), R330 (≠ A345), E380 (= E397), F382 (= F399)

5x5tA Crystal structure of alpha-ketoglutarate semialdehyde dehydrogenase (kgsadh) from azospirillum brasilense (see paper)
39% identity, 96% coverage: 15:491/498 of query aligns to 1:474/476 of 5x5tA

query
sites
5x5tA

T

T

L

Y

L

T

K

D

T

T

D

Q

G

L

L

L

I

I

N

D

G

G

Q

E

W

W

V

V

V

D

G

A

S

A

S

S

-

G

-

K

R

T

F

I

D

D

V

V

N

V

D

N

P

P

A

A

T

T

G

G

L

K

K

P

L

I

A

G

D

R

V

V

A

A

N

H

L

A

G

G

P

I

A

A

D

D

A

L

E

D

A

R

A

A

I

L

A

A

A

A

A

A

N

Q

A

S

A

G

W

F

G

E

P

A

W

W

K

R

T

K

K

V

T

P

A

A

K

H

E

E

R

R

S

A

I

A

I

T

L

M

R

R

K

K

W

A

F

A

D

A

L

L

L

V

M

R

A

E

N

R

Q

A

D

D

D

A

L

I

G

A

R

Q

I

L

M

M

T

T

A

Q

E

E

Q

Q

G

G

K

K

P

P

L

L

A

T

E

E

A

A

K

R

G

V

E

E

V

V

A

L

Y

S

G

A

A

A

S

D

F

I

V

I

E

E

W

W

F

F

A

A

E

D

E

E

A

G

K

R

R

R

I

V

N

Y

G

G

E

R

T

I

L

V

P

P

Q

P

F

R

D

N

N

L

N

G

R

A

R

Q

L

Q

M

T

V

V

L

V

K

K

Q

E

P

P

I

V

G

G

V

P

C

V

A

A

A

A

I

F

T

T

P

P

W

W

N
|
N

F

F

P

P

L

V

A

N

M

Q

I

V

T

V

R

R

K

K

V

L

A

S

P

A

A

A

L

L

A

A

A

T

G

G

C

C

P

S

V

F

V

L

I

V

K
|
K

P

A

A

P

E

E

L

E

T

T

P

P

L

A

T

S

A

P

L

A

A

A

A

L

A

L

E

R

L

A

A

F

I

V

R

D

A

A

G

G

I

V

P

P

A

A

G

G

V

V

F

I

N

G

I

L

L

V

P

Y

A

G

D

D

S

P

D

A

N

E

S

-

I

-

A

-

I

I

G

S

K

S

V

Y

L

L

C

I

A

P

S

H

D

P

V

V

V

I

R

R

H

K

I

V

S

T

F

F

T

T

G

G

S

S

T

T

E

P

V

V

G

G

R

K

I

Q

L

L

M
x
A

A

S

Q

L

S

A

A

G

P

L

T

H

V

M

K

K

K

R

M

A

S

T

L

M

E
|
E

L

L

G

G

G

G

N

H

A

A

P

P

F

V

I

I

V

V

F

A

D

E

D

D

A

A

D

D

I

V

D

A

S

L

A

A

V

V

E

K

G

A

A

A

F

G

A

G

S

A

K

K

Y

F

R

R

N

N

A

A

G

G

Q

Q

T

V

C
|
C

V

I

C

S

T

P

N

T

R

R

F

F

Y

L

V

V

Q

H

E

N

G

S

V

I

Y

R

D

D

E

E

F

F

V

T

A

R

K

A

F

L

A

V

A

K

K

H

V

A

K

E

T

G

A

L

K

K

V

V

G

G

N

N

G

G

F

L

E

E

A

E

G

G

V

T

N

T

Q

L

G

G

P

A

L

L

I

A

E

N

E

P

A

R

A

R

L

L

T

T

K

A

V

M

Q

A

R

S

H

V

V

I

D

D

D

N

A

A

L

R

A

K

K

V

G

G

G

A

Q

S

V

I

V

E

A

T

G

G

G

G

Q

E

R

R

L

I

T

G

A

S

L

-

G

-

S

E

G

G

Q

N

F

F

F

F

E

A

P

P

T

T

V

V

V

I

A

A

N

N

A

V

T

P

A

L

D

D

M

A

L

D

C

V

A

F

R

N

E

N

E
|
E

T

P

F

F

G

G

P

P

F

V

A

A

P

A

V

I

F

R

K

G

F

F

K

D

T

K

E

L

Q

E

E

E

A

A

I

I

D

A

A

E

A

A

N

N

N

R

T

L

E

P

F

F

G

G

L

L

A

A

S

G

Y

Y

F

A

Y

F

S

T

R

R

D

S

V

F

G

A

R

N

I

V

F

H

R

L

V

L

T

T

E

Q

A

R

L

L

E

E

Y

V

G

G

M

M

V

L

G

W

A

I

N

N

V

Q

G

P

I

A

L

T

A

P

T

W

E

P

H

E

V

M

P

P

F

F

G

G

G

G

V

V

K

K

Q

D

S

S

G

G

L
x
Y

G

G

R

S

E
|
E

G

G

S

G

H

P

H

E

G

A

M

L

D

E

D

P

Y

Y

V

L

E

V

I

T

K

K

Y

S

L

V

C

T

L

V

active site: N151 (= N163), K174 (= K186), E249 (= E264), C283 (= C298), E380 (= E397), E457 (= E474)
binding glycerol: A236 (≠ M251), Y454 (≠ L471)

4pxlA Structure of zm aldh2-3 (rf2c) in complex with NAD (see paper)
39% identity, 94% coverage: 22:487/498 of query aligns to 9:474/486 of 4pxlA

query
sites
4pxlA

L

F

I

I

N

D

G

G

Q

K

W

F

V

V

-

D

-

A

V

V

G

S

S

G

S

K

R

T

F

F

D

E

V

T

N

R

D

D

P

P

A

R

T

T

G

G

L

E

K

V

L

I

A

A

D

S

V

I

A

A

N

E

L

G

G

D

P

K

A

A

D

D

A

V

E

D

A

L

A

A

I

V

A

K

A

A

A

A

N

R

A

E

A

A

W

F

-

D

-

N

G

G

P

P

W

W

K

P

T

R

K

M

T

T

A

G

K

Y

E

E

R

R

S

G

I

R

I

I

L

L

R

H

K

R

W

F

F

A

D

D

L

L

L

I

M

D

A

E

N

H

Q

V

D

E

D

E

L

L

G

A

R

A

I

L

M

D

T

T

A

V

E

D

Q

A

G

G

K

K

P

L

L

F

A

A

E

V

A

G

K

K

G

A

-

R

E

D

V

I

A

P

Y

G

G

A

A

A

S

H

F

L

V

L

E

R

W

Y

F

Y

A

A

E

G

E

A

A

A

K

D

R

K

I

V

N

H

G

G

E

A

T

T

L

L

P

-

Q

K

F

M

D

A

N

Q

N

R

R

M

R

H

L

G

M

Y

V

T

L

L

K

K

Q

E

P

P

I

V

G

G

V

V

C

V

A

G

A

H

I
|
I

T
x
V

P
|
P

W
|
W

N
|
N

F

Y

P

P

L

T

A

T

M

M

I

F

T

F

R

F

K

K

V

V

A

G

P

P

A

A

L

L

A

A

A

A

G

G

C

C

P

A

V

V

V

V

I

V

K
|
K

P

P

A

A

E
|
E

L

Q

T

T

P

P

L

L

T

S

A

A

L

L

A

F

A

Y

A

A

E

H

L

L

A

A

I

R

R

E

A

A

G

G

I

V

P

P

A

A

G

G

V

V

F

L

N

N

I

V

L

V

P

P

A

G

D

F

S
x
G

D

P

N

T

S

A

I

-

A

-

I

-

G
|
G

K
x
A

V

A

L

V

C

A

A

A

S

H

D

M

V

D

V

V

R

D

H

K

I

V

S

S

F
|
F

T

T

G
|
G

S
|
S

T

T

E

E

V
|
V

G

G

R

R

I

L

L

V

M

M

A

R

Q

A

S

A

A

A

P

E

T

S

-

N

V

L

K

K

K

P

M

V

S

S

L

L

E
|
E

L

L

G
|
G

G

G

N

K

A

S

P

P

F

V

I

I

V

V

F

F

D

D

D

D

A

A

D

D

I

L

D

D

S

M

A

A

V

V

E

N

G

L

A

V

F

N

A

F

S

A

K

T

Y

Y

R

T

N

N

A

K

G

G

Q

E

T

I

C
|
C

V

V

C

A

T

G

N

T

R

R

F

I

Y

Y

V

V

Q

Q

E

E

G

G

V

I

Y

Y

D

D

E

E

F

F

V

V

A

K

K

K

F

A

A

A

A

E

K

L

V

A

K

S

T

K

A

S

K

V

V

V

G

G

N

D

G

P

F

F

E

N

A

P

G

S

V

V

N

S

Q

Q

G

G

P

P

L

Q

I

V

E

D

E

K

A

D

A
x
Q

L

Y

T

E

K
|
K

V

V

Q

L

R

R

H

Y

V

I

D

D

D

I

A

G

L

K

A

R

K

E

G

G

G

A

Q

T

V

L

V

V

A

T

G

G

G

G

Q

K

R

P

L

C

T

G

A

-

L

-

G

D

S

K

G

G

Q

Y

F

Y

F

I

E

E

P

P

T

T

V

I

V

F

A

T

N

D

A

V

T

K

A

D

D

D

M

M

L

T

C

I

A

A

R

Q

E

D

E
|
E

T

I

F
|
F

G

G

P

P

F

V

A

M

P

A

V

L

F

M

K

K

F

F

K

K

T

T

E

V

Q

E

E

E

A

V

I

I

D

Q

A

K

A

A

N

N

N

N

T

T

E

R

F

Y

G

G

L

L

A

A

S

A

Y

G

F

I

Y

V

S

T

R

K

D

N

V

I

G

D

R

V

I

A

F

N

R

T

V

V

T

S

E

R

A

S

L

I

E

R

Y

A

G

G

M

A

V

I

G

W

A

I

N

N

V

C

G

Y

I

F

L

A

A

F

T

D

E

P

H

D

V

A

P

P

F

F

G

G

G

G

V

Y

K

K

Q

M

S

S

G

G

L

F

G

G

R

K

E
x
D

G

M

S

G

H

M

H

D

G

A

M

L

D

D

D

K

Y

Y

V

L

E

Q

I

T

K

K

active site: N154 (= N163), K177 (= K186), E253 (= E264), C287 (= C298), E384 (= E397), D461 (≠ E474)
binding nicotinamide-adenine-dinucleotide: I150 (= I159), V151 (≠ T160), P152 (= P161), W153 (= W162), K177 (= K186), E180 (= E189), G210 (≠ S219), G214 (= G226), A215 (≠ K227), F228 (= F240), G230 (= G242), S231 (= S243), V234 (= V246), E253 (= E264), G255 (= G266), C287 (= C298), Q334 (≠ A345), K337 (= K348), E384 (= E397), F386 (= F399)

O14293 Putative aldehyde dehydrogenase-like protein C9E9.09c; EC 1.2.1.- from Schizosaccharomyces pombe (strain 972 / ATCC 24843) (Fission yeast) (see paper)
37% identity, 95% coverage: 15:487/498 of query aligns to 18:491/503 of O14293

query
sites
O14293

T

T

L

Y

L

I

K

Q

T

P

D

V

G

G

L

L

-

F

I

I

N

N

G

N

Q

Q

W

H

V

V

-

D

-

S

V

V

G

H

S

G

S

G

R

R

F

V

D

K

V

V

N

Y

D

S

P

P

A

S

T

T

G

E

L

K

K

L

L

I

A

C

D

E

V

V

A

A

N

D

L

A

G

D

P

E

A

E

D

D

A

V

E

D

A

I

A

A

I

V

A

K

A

V

A

A

N

R

A

A

A

A

W

F

-

Q

-

T

-

D

G

A

P

P

W

W

K

R

T

K

K

F

T

S

A

S

K

A

E

Q

R

R

S

G

I

R

I

C

L

L

R

S

K

R

W

L

F

A

D

D

L

C

L

I

M

E

A

Q

N

N

Q

L

D

E

D

Y

L

L

G

A

R

S

I

I

M

E

T

T

A

L

E

D

Q

N

G

G

K

K

P

S

L

I

A

T

E

L

A

A

K

R

G

G

E

D

V

V

A

Q

Y

A

G

A

A

A

S

D

F

C

V

F

E

R

W

Y

F

Y

A

G

E

G

E

W

A

A

K

D

R

K

I

D

N

Y

G

G

E

Q

T

T

L

I

P

-

Q

E

F

T

D

D

N

I

N

K

R

R

R

F

L

A

M

Y

V

T

L

R

K

H

Q

E

P

P

I

I

G

G

V

V

C

C

A

G

A

Q

I

I

T

I

P

P

W

W

N

N

F

F

P

P

L

F

A

L

M

M

I

C

T

A

R

W

K

K

V

I

A

A

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P

A

A

L

V

A

A

A

C

G

G

C

N

P

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I

V

I

I

L

K

K

P

T

A

A

E

E

L

L

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T

P

P

L

L

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A

A

L

L

A

C

A

L

A

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K

L

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A

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I

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A

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G

G

I

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P

P

A

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V

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I

N

N

I

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L

L

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S

A

G

D

D

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G

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N

R

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A

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I

-

G

G

K

N

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A

L

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A

S

S

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D

M

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D

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F

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|
S

T

T

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G

V

V

G

G

R

R

I

M

L

V

M

M

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R

A

A

Q

A

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A

A

S

P

S

T

N

V

L

K

K

K

K

M

V

S

T

L

L

E

E

L

L

G

G

G

G

N

K

A

S

P

P

F

N

I

I

V

V

F

F

D

N

D

D

A

A

D

D

I

L

D

D

S

S

A

A

V

A

E

V

G

W

A

T

F

N

A

Y

S

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K

I

Y

F

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Y

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N

A

S

G

G

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Q

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C

C

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C

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Y

Y

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F

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K

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A

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K

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A

K

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V

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G

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F

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A

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F

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Q

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G

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A

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L

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A

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A

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K

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V

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G

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-

S

-

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G

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N

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F

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A

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N

N

N

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F

Y

G

G

L

L

A

A

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N

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A

L

L

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G

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N

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L

L

A

L

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H

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F

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G

G

G

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K

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R

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S

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M

L

D

T

D

N

Y

Y

V

T

E

Q

I

T

K

K

S248 (= S243) modified: Phosphoserine

Sites not aligning to the query:

501 modified: Phosphoserine

Q9H2A2 2-aminomuconic semialdehyde dehydrogenase; Aldehyde dehydrogenase 12; Aldehyde dehydrogenase family 8 member A1; EC 1.2.1.32 from Homo sapiens (Human) (see paper)
37% identity, 95% coverage: 16:489/498 of query aligns to 7:483/487 of Q9H2A2

query
sites
Q9H2A2

L

L

L

L

K

M

T

L

D

E

G

N

L

F

I

I

N

D

G

G

Q

K

W

F

V

L

V

P

G

C

S

S

S

S

R

Y

F

I

D

D

V

S

N

Y

D

D

P

P

A

S

T

T

G

G

L

E

K

V

L

Y

A

C

D

R

V

V

A

P

N

N

L

S

G

G

P

K

A

D

D

E

A

I

E

E

A

A

A

A

I

V

A

K

A

A

A

A

N

R

A

E

A

A

W

F

G

P

P

S

W

W

K

S

T

S

K

R

T

S

A

P

K

Q

E

E

R

R

S

S

I

R

I

V

L

L

R

N

K

Q

W

V

F

A

D

D

L

L

L

L

M

E

A

Q

N

S

Q

L

D

E

D

E

L

F

G

A

R

Q

I

A

M

E

T

S

A

K

E

D

Q

Q

G

G

K

K

P

T

L

L

A

A

E

L

A

A

K

R

G

T

-

M

E

D

V

I

A

P

Y
x
R

G

S

A

V

S

Q

F

N

V

F

E

R

W

F

F

F

A

A

E

S

E

S

A

S

K

L

R

H

I

H

N

T

G

S

E

E

T

C

L

T

P

Q

Q

M

F

D

D

H

N

L

N

G

R

C

R

M

L

H

M

Y

V

T

L

V

K

R

Q

A

P

P

I

V

G

G

V

V

C

A

A

G

A

L

I

I

T

S

P

P

W

W

N
|
N

F

L

P

P

L

L

A

Y

M

L

I

L

T

T

R

W

K

K

V

I

A

A

P

P

A

A

L

M

A

A

A

A

G

G

C

N

P

T

V

V

V

I

I

A

K

K

P

P

A

S

E

E

L

L

T

T

P

S

L

V

T

T

A

A

L

W

A

M

A

L

A

C

E

K

L

L

A

L

I

D

R

K

A

A

G

G

I

V

P

P

A

P

G

G

V

V

F

V

N

N

I

I

L

V

P

F

A

G

D

T

S

G

D

P

N

R

S

-

I

-

A

-

I

V

G

G

K

E

V

A

L

L

C

V

A

S

S

H

D

P

V

E

V

V

R

P

H

L

I

I

S

S

F

F

T

T

G

G

S

S

T

Q

E

P

V

T

G

A

R

E

I

R

L

I

M

T

A

Q

Q

L

S

S

A

A

P

P

T

H

V

C

K

K

K

K

M

L

S

S

L

L

E

E

L

L

G

G

G

G

N

K

A

N

P

P

F

A

I

I

V

I

F

F

D

E

D

D

A

A

D

N

I

L

D

D

S

E

A

C

V

I

E

P

G

A

A

T

F

V

A

R

S

S

K

S

Y

F

R

A

N

N

A

Q

G

G

Q

E

T

I

C

C

V

L

C

C

T

T

N

S

R

R

F

I

Y

F

V

V

Q

Q

E

K

G

S

V

I

Y

Y

D

S

E

E

F

F

V

L

A

K

K

R

F

F

A

V

A

E

K

A

V

T

K

R

T

K

A

W

K

K

V

V

G

G

N

I

G

P

F

S

E

D

A

P

G

L

V

V

N

S

Q

I

G

G

P

A

L

L

I

I

E

S

E

K

A

A

A

H

L

L

T

E

K

K

V

V

Q

R

R

S

H

Y

V

V

D

K

D

R

A

A

L

L

A

A

K

E

G

G

G

A

Q

Q

V

I

V

W

A

C

G

G

-

E

G

G

Q

V

R

D

L

K

T

L

A

S

L

L

-

P

-

A

-

R

-

N

G

Q

S

A

G

G

Q

Y

F

F

F

M

E

L

P

P

T

T

V

V

V

I

A

T

N

D

A

I

T

K

A

D

D

E

M

S

L

C

C

C

A

M

R

T

E

E

E

E

T

I

F

F

G

G

P

P

F

V

A

T

P

C

V

V

F

V

K

P

F

F

K

D

T

S

E

E

Q

E

E

E

A

V

I

I

D

E

A

R

A

A

N

N

N

N

T

V

E

K

F

Y

G

G

L

L

A

A

S

A

Y

T

F

V

Y

W

S

S

R

S

D

N

V

V

G

G

R

R

I

V

F

H

R

R

V

V

T

A

E

K

A

K

L

L

E

Q

Y

S

G

G

M

L

V

V

G

W

A

T

N

N

V

C

G

W

I

L

L

I

A
x
R

T

E

E

L

H

N

V

L

P

P

F

F

G

G

G

G

V

M

K

K

Q

S

S

S

G

G

L

I

G

G

R

R

E

E

G

G

S

A

H

K

H

D

G

S

M

Y

D

D

D

F

Y

F

V

T

E

E

I

I

K

K

Y

T

L

I

R109 (≠ Y117) mutation to A: About 65-fold loss of catalytic efficiency.
N155 (= N163) mutation to A: Complete loss of activity.
R451 (≠ A457) mutation to A: Complete loss of activity.

Q56YU0 Aldehyde dehydrogenase family 2 member C4; ALDH1a; Protein REDUCED EPIDERMAL FLUORESCENCE 1; EC 1.2.1.3 from Arabidopsis thaliana (Mouse-ear cress) (see paper)
37% identity, 96% coverage: 14:491/498 of query aligns to 15:493/501 of Q56YU0

query
sites
Q56YU0

P

P

T

E

L

I

L

K

K

F

T

T

D

K

G

L

L

F

I

I

N

N

G

G

Q

Q

W

F

V

I

V

D

G

A

S

A

S

S

-

G

-

K

R

T

F

F

D

E

V

T

N

I

D

D

P

P

A

R

T

N

G

G

L

E

K

V

L

I

A

A

D

T

V

I

A

A

N

E

L

G

G

D

P

K

A

E

D

D

A

V

E

D

A

L

A

A

I

V

A

N

A

A

A

A

N

R

A

Y

A

A

W

F

-

D

-

H

G

G

P

P

W

W

K

P

T

R

K

M

T

T

A

G

K

F

E

E

R

R

S

A

I

K

I

L

L

I

R

N

K

K

W

F

F

A

D

D

L

L

L

I

M

E

A

E

N

N

Q

I

D

E

D

E

L

L

G

A

R

K

I

L

M

D

T

A

A

V

E

D

Q

G

G

G

K

K

P

L

L

F

A

Q

E

L

A

G

K

K

-

Y

G

A

E

D

V

I

A

P

Y

A

G

T

A

A

S

G

F

H

V

F

E

R

W

Y

F

N

A

A

E

G

E

A

A

A

K

D

R

K

I

I

N

H

G

G

E

E

T

T

L

L

P

K

Q

M

F

T

D

R

N

Q

N

S

R

L

R

F

L
x
G

M

Y

V

T

L

L

K

K

Q

E

P

P

I

I

G

G

V

V

C

V

A

G

A

N

I

I

T

I

P

P

W

W

N

N

F

F

P

P

L

S

A

I

M

M

I

F

T

A

R

T

K

K

V

V

A

A

P

P

A

A

L

M

A

A

A

A

G

G

C

C

P

T

V

M

V

V

I

V

K

K

P

P

A

A

E

E

L

Q

T

T

P

S

L

L

T

S

A

A

L

L

A

F

A

Y

A

A

E

H

L

L

A

S

I

K

R

E

A

A

G

G

I

I

P

P

A

D

G

G

V

V

F

L

N

N

I

I

L

V

P

T

A

G

D

F

S

G

D

S

N

T

S

A

I

-

A

-

I

-

G

G

K

A

V

A

L

I

C

A

A

S

S

H

D

M

V

D

V

V

R

D

H

K

I

V

S

S

F

F

T

T

G

G

S

S

T

T

E

D

V

V

G

G

R

R

-

K

I

I

L

M

M

Q

A

A

Q

A

S

A

A

A

P

S

T

N

V

L

K

K

K

K

M

V

S

S

L

L

E

E

L

L

G

G

G

G

N

K

A

S

P

P

F

L

I

L

V

I

F

F

D

N

D

D

A

A

D

D

I

I

D

D

S

K

A

A

V

A

E

D

G

L

A

A

F

L

A

L

S

G

K

C

Y

F

R

Y

N

N

A

K

G

G

Q

E

T

I

C

C

V

V

C

A

T

S

N

S

R

R

F

V

Y

F

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V

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Q

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E

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G

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Y

D

D

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V

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K

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A

W

K

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V

G

G

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F

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G

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L

V

L

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G

G

G

G

Q

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R

-

L

-

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-

A

A

L

I

G

G

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D

S

K

G

G

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F

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D

M

M

L

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F

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G

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P

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A

M

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L

F

M

K

K

F

F

K

K

T

T

E

V

Q

E

E

E

A
x
G

I

I

D

K

A

C

A

A

N

N

N

N

T

T

E

K

F

Y

G

G

L

L

A

A

S

A

Y

G

F

I

Y

L

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Q

D

D

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I

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D

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L

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V

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A

S

L

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Y

A

G

G

M

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I

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W

A

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N

N

V

C

G

Y

I

F

L

G

A

F

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D

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L

H

D

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C

P

P

F

Y

G

G

G

G

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K

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M

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G

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G

C

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E

G

S

S

G

H

M

H

D

G

A

M

L

D

D

D

N

Y

Y

V

L

E

Q

I

T

K

K

Y

S

L

V

C

V

L

M

G152 (≠ L146) mutation to E: In ref1-7; reduced activity on sinapaldehyde.
G416 (≠ A414) mutation to R: In ref1-6; reduced activity on sinapaldehyde.

7radA Crystal structure analysis of aldh1b1
37% identity, 97% coverage: 7:491/498 of query aligns to 2:486/493 of 7radA

query
sites
7radA

P

P

L

S

A

P

L

I

L

L

N

N

D

-

P

P

T

D

L

I

L

P

K

Y

T

N

D

Q

G

L

L

F

I

I

N

N

G

N

Q

E

W

W

-

Q

-

D

V

A

V

V

G

S

S

K

S

K

R

T

F

F

D

P

V

T

N

V

D

N

P

P

A

T

T

T

G

G

L

E

K

V

L

I

A

G

D

H

V

V

A

A

N

E

L

G

G

D

P

R

A

A

D

D

A

V

E

D

A

R

A

A

I

V

A

K

A

A

A

A

N

R

A

E

A

A

W

F

-

R

-

L

-

G

G

S

P

P

W

W

K

R

T

R

K

M

T

D

A

A

K

S

E

E

R

R

S

G

I

R

I

L

L

L

R

N

K

R

W

L

F

A

D

D

L

L

L

V

M

E

A

R

N

D

Q

R

D

V

D

Y

L

L

G

A

R

S

I

L

M

E

T

T

A

L

E

D

Q

N

G

G

K

K

P

P

L

F

A

Q

E

E

A

S

K

Y

G

A

-
x
L

E

D

V

L

A

D

Y
x
E

G

V

A

I

S

K

F

V

V

Y

E

R

W

Y

F

F

A

A

E

G

E

W

A

A

K

D

R

K

I

W

N

H

G

G

E

K

T

T

L

I

P

P

Q

-

F

M

D

D

N

G

N

Q

R

H

R

F

L

C

M

F

V

T

L

R

K

H

Q

E

P

P

I

V

G

G

V

V

C

C

A

G

A

Q

I
|
I

T
x
I

P
|
P

W
|
W

N
|
N

F
|
F

P

P

L

L

A

V

M
|
M

I

Q

T

G

R

W

K

K

V

L

A

A

P

P

A

A

L

L

A

A

A

T

G

G

C

N

P

T

V

V

V

V

I

M

K
|
K

P

V

A

A

E
|
E

L

Q

T

T

P

P

L

L

T

S

A

A

L

L

A

Y

A

L

A

A

E

S

L

L

A

I

I

K

R

E

A

A

G

G

I

F

P

P

A

P

G

G

V

V

F

V

N

N

I

I

L

I

P

T

A

G

D

Y

S
x
G

D

P

N

T

S

A

I

-

A

-

I

-

G
|
G

K
x
A

V

A

L

I

C

A

A

Q

S

H

D

M

V

D

V

V

R

D

H

K

I

V

S

A

F

F

T
|
T

G
|
G

S
|
S

T

T

E

E

V
|
V

G

G

R

H

I

L

L

I

M

Q

-

K

A

A

Q

A

S

G

A

D

P

S

T

N

V

L

K

K

K

R

M

V

S

T

L

L

E
|
E

L
|
L

G

G

G

G

N

K

A

S

P

P

F

S

I

I

V

V

F

L

D

A

D

D

A

A

D

D

I

M

D

E

S

H

A

A

V

V

E

E

G

Q

A

C

F

H

A
x
E

S

A

K

L

Y

F

R
x
F

N

N

A

M

G

G

Q

Q

T

C

C
|
C

V

C

C

A

T

G

N

S

R

R

F

T

Y

F

V

V

Q

E

E

E

G

S

V

I

Y

Y

D

N

E

E

F

F

V

L

A

E

K

R

F

T

A

V

A

E

K

K

V

A

K

K

T

Q

A

R

K

K

V

V

G

G

N

N

G

P

F

F

E

E

A

L

G

D

V

T

N

Q

Q

Q

G

G

P

P

L

Q

I

V

E

D

E

K

A

E

A

Q

L

F

T

E

K

R

V

V

Q

L

R

G

H

Y

V

I

D

Q

D

L

A

G

L

Q

A

K

K

E

G

G

G

A

Q

K

V

L

V

L

A

C

G

G

G

G

Q

E

R

R

L

F

T

G

A

E

L

-

G

-

S

R

G

G

Q

F

F

F

F

I

E

K

P

P

T

T

V

V

V

F

A

G

N

G

A

V

T

Q

A

D

D

D

M

M

L

R

C

I

A

A

R

K

E

E

E
|
E

T

I

F
|
F

G

G

P

P

F

V

A

Q

P

P

V

L

F

F

K

K

F

F

K

K

T

K

E

I

Q

E

E

E

A

V

I

V

D

E

A

R

A

A

N

N

N

N

T

T

E

R

F

Y

G

G

L

L

A

A

S

A

Y

A

F

V

Y

F

S

T

R

R

D

D

V

L

G

D

R

K

I

A

F

M

R

Y

V

F

T

T

E

Q

A

A

L

L

E

Q

Y

A

G

G

M

T

V

V

G

W

A

V

N

N

V

T

G

Y

I
x
N

L

I

A
x
V

T

T

E

C

H

H

V

T

P

P

F

F

G

G

G

G

V

F

K

K

Q

E

S

S

G

G

L

N

G

G

R

R

E

E

G

L

S

G

H

E

H

D

G

G

M

L

D

K

D

A

Y

Y

V

T

E

E

I

V

K

K

Y

T

L

V

C

T

L

I

binding nicotinamide-adenine-dinucleotide: I158 (= I159), I159 (≠ T160), P160 (= P161), W161 (= W162), N162 (= N163), M167 (= M168), K185 (= K186), E188 (= E189), G218 (≠ S219), G222 (= G226), A223 (≠ K227), T237 (= T241), G238 (= G242), S239 (= S243), V242 (= V246), E261 (= E264), L262 (= L265), C295 (= C298), E392 (= E397), F394 (= F399)
binding 3-(2-methoxyphenyl)-1-(4-phenylphenyl)-6,7,8,9-tetrahydro-5~{H}-imidazo[1,2-a][1,3]diazepine: L113 (vs. gap), E117 (≠ Y117), F163 (= F164), E285 (≠ A288), F289 (≠ R292), N450 (≠ I455), V452 (≠ A457)

7mjdA Crystal structure analysis of aldh1b1
37% identity, 97% coverage: 7:491/498 of query aligns to 2:486/493 of 7mjdA

query
sites
7mjdA

P

P

L

S

A

P

L

I

L

L

N

N

D

-

P

P

T

D

L

I

L

P

K

Y

T

N

D

Q

G

L

L

F

I

I

N

N

G

N

Q

E

W

W

-

Q

-

D

V

A

V

V

G

S

S

K

S

K

R

T

F

F

D

P

V

T

N

V

D

N

P

P

A

T

T

T

G

G

L

E

K

V

L

I

A

G

D

H

V

V

A

A

N

E

L

G

G

D

P

R

A

A

D

D

A

V

E

D

A

R

A

A

I

V

A

K

A

A

A

A

N

R

A

E

A

A

W

F

-

R

-

L

-

G

G

S

P

P

W

W

K

R

T

R

K

M

T

D

A

A

K

S

E

E

R

R

S

G

I

R

I

L

L

L

R

N

K

R

W

L

F

A

D

D

L

L

L

V

M

E

A

R

N

D

Q

R

D

V

D

Y

L

L

G

A

R

S

I

L

M

E

T

T

A

L

E

D

Q

N

G

G

K

K

P

P

L

F

A

Q

E

E

A

S

K

Y

G

A

-

L

E

D

V

L

A

D

Y
x
E

G

V

A

I

S

K

F

V

V

Y

E

R

W

Y

F

F

A

A

E

G

E

W

A

A

K

D

R

K

I

W

N

H

G

G

E

K

T

T

L

I

P

P

Q

-

F

M

D

D

N

G

N

Q

R

H

R

F

L

C

M

F

V

T

L

R

K

H

Q

E

P

P

I

V

G

G

V

V

C

C

A

G

A

Q

I
|
I

T
x
I

P
|
P

W
|
W

N
|
N

F

F

P

P

L

L

A

V

M
|
M

I

Q

T

G

R

W

K

K

V

L

A

A

P

P

A

A

L

L

A

A

A

T

G

G

C

N

P

T

V

V

V

V

I

M

K
|
K

P

V

A

A

E
|
E

L

Q

T

T

P

P

L

L

T

S

A

A

L

L

A

Y

A

L

A

A

E

S

L

L

A

I

I

K

R

E

A

A

G

G

I

F

P

P

A

P

G

G

V

V

F

V

N

N

I

I

L

I

P

T

A

G

D

Y

S
x
G

D

P

N

T

S

A

I

-

A

-

I

-

G
|
G

K

A

V

A

L

I

C

A

A

Q

S

H

D

M

V

D

V

V

R

D

H

K

I

V

S

A

F
|
F

T
|
T

G
|
G

S
|
S

T

T

E

E

V
|
V

G

G

R

H

I

L

L

I

M

Q

-

K

A

A

Q

A

S

G

A

D

P

S

T

N

V

L

K

K

K

R

M

V

S

T

L

L

E
|
E

L
|
L

G

G

G

G

N

K

A

S

P

P

F

S

I

I

V

V

F

L

D

A

D

D

A

A

D

D

I

M

D

E

S

H

A

A

V

V

E

E

G

Q

A

C

F

H

A
x
E

S

A

K

L

Y

F

R
x
F

N

N

A

M

G

G

Q

Q

T

C

C
|
C

V

C

C

A

T

G

N

S

R

R

F

T

Y

F

V

V

Q

E

E

E

G

S

V

I

Y

Y

D

N

E

E

F

F

V

L

A

E

K

R

F

T

A

V

A

E

K

K

V

A

K

K

T

Q

A

R

K

K

V

V

G

G

N

N

G

P

F

F

E

E

A

L

G

D

V

T

N

Q

Q

Q

G

G

P

P

L

Q

I

V

E

D

E

K

A

E

A

Q

L

F

T

E

K

R

V

V

Q

L

R

G

H

Y

V

I

D

Q

D

L

A

G

L

Q

A

K

K

E

G

G

G

A

Q

K

V

L

V

L

A

C

G

G

G

G

Q

E

R

R

L

F

T

G

A

E

L

-

G

-

S

R

G

G

Q

F

F

F

F

I

E

K

P

P

T

T

V

V

V

F

A

G

N

G

A

V

T

Q

A

D

D

D

M

M

L

R

C

I

A

A

R

K

E

E

E
|
E

T

I

F
|
F

G

G

P

P

F

V

A

Q

P

P

V

L

F

F

K

K

F

F

K

K

T

K

E

I

Q

E

E

E

A

V

I

V

D

E

A

R

A

A

N

N

N

N

T

T

E

R

F

Y

G

G

L

L

A

A

S

A

Y

A

F

V

Y

F

S

T

R

R

D

D

V

L

G

D

R

K

I

A

F

M

R

Y

V

F

T

T

E

Q

A

A

L

L

E

Q

Y

A

G

G

M

T

V

V

G

W

A

V

N

N

V

T

G

Y

I
x
N

L

I

A
x
V

T

T

E

C

H

H

V

T

P

P

F

F

G

G

G

G

V

F

K

K

Q

E

S

S

G

G

L

N

G

G

R

R

E

E

G

L

S

G

H

E

H

D

G

G

M

L

D

K

D

A

Y

Y

V

T

E

E

I

V

K

K

Y

T

L

V

C

T

L

I

binding nicotinamide-adenine-dinucleotide: I158 (= I159), I159 (≠ T160), P160 (= P161), W161 (= W162), N162 (= N163), M167 (= M168), K185 (= K186), E188 (= E189), G218 (≠ S219), G222 (= G226), F236 (= F240), T237 (= T241), G238 (= G242), S239 (= S243), V242 (= V246), E261 (= E264), L262 (= L265), C295 (= C298), E392 (= E397), F394 (= F399)
binding 8-(2-methoxyphenyl)-10-(4-phenylphenyl)-1$l^{4},8-diazabicyclo[5.3.0]deca-1(7),9-diene: E117 (≠ Y117), E285 (≠ A288), F289 (≠ R292), N450 (≠ I455), V452 (≠ A457)

7mjcA Crystal structure analysis of aldh1b1
37% identity, 97% coverage: 7:491/498 of query aligns to 2:486/493 of 7mjcA

query
sites
7mjcA

P

P

L

S

A

P

L

I

L

L

N

N

D

-

P

P

T

D

L

I

L

P

K

Y

T

N

D

Q

G

L

L

F

I

I

N

N

G

N

Q

E

W

W

-

Q

-

D

V

A

V

V

G

S

S

K

S

K

R

T

F

F

D

P

V

T

N

V

D

N

P

P

A

T

T

T

G

G

L

E

K

V

L

I

A

G

D

H

V

V

A

A

N

E

L

G

G

D

P

R

A

A

D

D

A

V

E

D

A

R

A

A

I

V

A

K

A

A

A

A

N

R

A

E

A

A

W

F

-

R

-

L

-

G

G

S

P

P

W

W

K

R

T

R

K

M

T

D

A

A

K

S

E

E

R

R

S

G

I

R

I

L

L

L

R

N

K

R

W

L

F

A

D

D

L

L

L

V

M

E

A

R

N

D

Q

R

D

V

D

Y

L

L

G

A

R

S

I

L

M

E

T

T

A

L

E

D

Q

N

G

G

K

K

P

P

L

F

A

Q

E

E

A

S

K

Y

G

A

-

L

E

D

V

L

A

D

Y

E

G

V

A

I

S

K

F

V

V

Y

E

R

W

Y

F

F

A

A

E

G

E

W

A

A

K

D

R

K

I

W

N

H

G

G

E

K

T

T

L

I

P

P

Q

-

F

M

D

D

N

G

N

Q

R

H

R

F

L

C

M

F

V

T

L

R

K

H

Q

E

P

P

I

V

G

G

V

V

C

C

A

G

A

Q

I
|
I

T
x
I

P
|
P

W
|
W

N
|
N

F

F

P

P

L

L

A

V

M

M

I

Q

T

G

R

W

K

K

V

L

A

A

P

P

A

A

L

L

A

A

A

T

G

G

C

N

P

T

V

V

V

V

I

M

K
|
K

P

V

A

A

E
|
E

L

Q

T

T

P

P

L

L

T

S

A

A

L

L

A

Y

A

L

A

A

E

S

L

L

A

I

I

K

R

E

A

A

G

G

I

F

P

P

A

P

G

G

V

V

F

V

N

N

I

I

L

I

P

T

A

G

D

Y

S
x
G

D

P

N

T

S

A

I

-

A

-

I

-

G
|
G

K

A

V

A

L

I

C

A

A

Q

S

H

D

M

V

D

V

V

R

D

H

K

I

V

S

A

F

F

T
|
T

G
|
G

S
|
S

T

T

E

E

V
|
V

G

G

R

H

I

L

L

I

M

Q

-

K

A

A

Q

A

S

G

A

D

P

S

T

N

V

L

K

K

K

R

M

V

S

T

L

L

E
|
E

L
|
L

G

G

G

G

N

K

A

S

P

P

F

S

I

I

V

V

F

L

D

A

D

D

A

A

D

D

I

M

D

E

S

H

A

A

V

V

E

E

G

Q

A

C

F

H

A

E

S

A

K

L

Y

F

R

F

N

N

A

M

G

G

Q

Q

T

C

C
|
C

V

C

C

A

T

G

N

S

R

R

F

T

Y

F

V

V

Q

E

E

E

G

S

V

I

Y

Y

D

N

E

E

F

F

V

L

A

E

K

R

F

T

A

V

A

E

K

K

V

A

K

K

T

Q

A

R

K

K

V

V

G

G

N

N

G

P

F

F

E

E

A

L

G

D

V

T

N

Q

Q

Q

G

G

P

P

L

Q

I

V

E

D

E

K

A

E

A

Q

L

F

T

E

K

R

V

V

Q

L

R

G

H

Y

V

I

D

Q

D

L

A

G

L

Q

A

K

K

E

G

G

G

A

Q

K

V

L

V

L

A

C

G

G

G

G

Q

E

R

R

L

F

T

G

A

E

L

-

G

-

S

R

G

G

Q

F

F

F

F

I

E

K

P

P

T

T

V

V

V

F

A

G

N

G

A

V

T

Q

A

D

D

D

M

M

L

R

C

I

A

A

R

K

E

E

E
|
E

T

I

F
|
F

G

G

P

P

F

V

A

Q

P

P

V

L

F

F

K

K

F

F

K

K

T

K

E

I

Q

E

E

E

A

V

I

V

D

E

A

R

A

A

N

N

N

N

T

T

E

R

F

Y

G

G

L

L

A

A

S

A

Y

A

F

V

Y

F

S

T

R

R

D

D

V

L

G

D

R

K

I

A

F

M

R

Y

V

F

T

T

E

Q

A

A

L

L

E

Q

Y

A

G

G

M

T

V

V

G

W

A

V

N

N

V

T

G

Y

I

N

L

I

A

V

T

T

E

C

H

H

V

T

P

P

F

F

G

G

G

G

V

F

K

K

Q

E

S

S

G

G

L

N

G

G

R

R

E

E

G

L

S

G

H

E

H

D

G

G

M

L

D

K

D

A

Y

Y

V

T

E

E

I

V

K

K

Y

T

L

V

C

T

L

I

binding nicotinamide-adenine-dinucleotide: I158 (= I159), I159 (≠ T160), P160 (= P161), W161 (= W162), N162 (= N163), K185 (= K186), E188 (= E189), G218 (≠ S219), G222 (= G226), T237 (= T241), G238 (= G242), S239 (= S243), V242 (= V246), E261 (= E264), L262 (= L265), C295 (= C298), E392 (= E397), F394 (= F399)

6j76A Structure of 3,6-anhydro-l-galactose dehydrogenase in complex with nap (see paper)
37% identity, 93% coverage: 23:487/498 of query aligns to 6:471/477 of 6j76A

query
sites
6j76A

I

V

N

G

G

G

Q

E

W

W

V

I

V

D

G

A

S

S

S

N

-

G

-

Q

R

T

F

E

D

P

V

V

N

V

D

S

P

P

A

I

T

N

G

E

L

E

K

V

L

L

A

A

D

Y

V

I

A

Q

N

D

L

A

G

D

P

A

A

S

D

D

A

A

E

E

A

R

A

V

I

L

A

A

A

V

A

A

N

T

A

T

A

A

W

Q

G

K

P

E

W

W

K

A

T

K

K

Q

T

P

A

A

K

R

E

Q

R

R

S

A

I

E

I

V

L

L

R

R

K

K

W

F

F

A

D

Q

L

L

L

I

M

R

A

D

N

N

Q

K

D

Q

D

Y

L

L

G

A

R

E

I

L

M

L

T

V

A

K

E

E

Q

Q

G

G

K

K

P

L

L

L

A

K

E

V

A

A

K

L

G

G

E

E

V

V

A

E

Y

A

G

T

A

S

S

T

F

F

V

I

E

E

W

Y

F

A

A

C

E

D

E

W

A

A

K

R

R

Q

I

M

N

D

G

G

E

D

T

I

L

V

P

K

Q

S

F

D

D

N

N

A

N

N

R

E

R

Q

L

I

M

M

V

I

L

H

K

K

Q

I

P

P

I

R

G

G

V

V

C

V

A

V

A

A

I
|
I

T
|
T

P
x
A

W
|
W

N
|
N

F

F

P

P

L

L

A

A

M

L

I

A

T

G

R

R

K

K

V

I

A

G

P

P

A

A

L

L

A

V

A

A

G

G

C

N

P

S

V

I

V

V

I

V

K
|
K

P

P

A
x
T

E
x
S

L

E

T

T

P

P

L

L

T

A

A

T

L

L

A

E

A

L

A

G

E

Y

L

L

A

A

I

E

R

Q

A

A

G

G

I

I

P

P

A

A

G

G

V

V

F

L

N

N

I

I

L

V

P

-

A

-

D

-

S

T

D

G

N

G

S
x
G

I

R

A

T

I

L

G
|
G

K

N

V

E

L

L

C

V

A

G

S

H

D

R

V

M

V

T

R

N

H

M

I

V

S

S

F

M

T
|
T

G
|
G

S
|
S

T

T

E

P

V
x
A

G

G

R

Q

I
x
S

L
x
I

M

I

A

R

Q

A

S

S

A

A

P

N

T

N

V

M

K

A

K

H

M

V

S

Q

L

L

E
|
E

L
|
L

G

G

G

G

N

K

A

A

P

P

F

F

I

I

V

V

F

M

D

E

D

D

A

A

D

D

I

L

D

E

S

Q

A

A

V

A

E

A

G

A

A

A

F

L

A

H

S

S

K

R

Y

F

R

D

N

N

A

C

G

G

Q

Q

T

V

C
|
C

V

T

C

C

T

N

N

E

R

R

F

M

Y

Y

V

V

Q

H

E

G

G

A

V

V

Y

Y

D

D

E

E

F

F

V

M

A

R

K

I

F

F

A

M

A

G

K

K

V

V

K

E

T

A

A

I

K

K

V

V

G

G

N

D

G

P

F

M

E

D

A

P

G

A

V

S

N

D

Q

M

G

G

P

P

L

K

I

V

E

N

E

A

A

N

A

E

L

L

T

A

K

H

V

M

Q

E

R

E

H

L

V

V

D

A

D

E

A

A

L

V

A

D

K

E

G

G

G

A

Q

T

V

V

V

L

A

F

G

G

G

G

Q

K

R

K

L

L

T

E

A

G

-

P

-

E

L

F

G

E

S

K

G

G

Q

F

F

W

F

F

E

E

P

P

T

T

V

V

V

L

A

T

N

N

A

V

T

T

A

Q

D

D

M

M

L

T

C

I

A

V

R

H

E

E

E
|
E

T

S

F
|
F

G

G

P

P

F

I

A

L

P

P

V

V

F

I

K

K

F

F

K

D

T

S

E

F

Q

D

E

E

A

V

I

I

D

E

A

Y

A

A

N

N

N

D

T

S

E

D

F

Y

G

G

L

L

A

A

S

A

Y

M

F

I

Y

C

S

T

R

Q

D

N

V

M

G

H

R

Y

I

I

F

N

R

R

V

L

T

L

E

T

A

E

L

L

E

E

Y

S

G

G

M

E

V

I

G

Y

A

V

N

N

V

R

G

G

I

-

L

H

A

G

T

E

E

Q

H

H

V

Q

P

G

F

F

-
x
H

G

N

G

G

V

Y

K

K

Q

L

S

S

G

G

L

T

G

G

R

G

E
|
E

G

D

S

G

H

K

H

Y

G

G

M

F

D

E

D

Q

Y

Y

V

L

E

E

I

K

K

K

active site: N148 (= N163), E246 (= E264), C280 (= C298), E458 (= E474)
binding nadp nicotinamide-adenine-dinucleotide phosphate: I144 (= I159), T145 (= T160), A146 (≠ P161), W147 (= W162), N148 (= N163), K171 (= K186), T173 (≠ A188), S174 (≠ E189), G204 (≠ S222), G208 (= G226), T223 (= T241), G224 (= G242), S225 (= S243), A228 (≠ V246), S231 (≠ I249), I232 (≠ L250), E246 (= E264), L247 (= L265), C280 (= C298), E381 (= E397), F383 (= F399), H447 (vs. gap)

O24174 Betaine aldehyde dehydrogenase 1; OsBADH1; EC 1.2.1.8 from Oryza sativa subsp. japonica (Rice) (see paper)
37% identity, 95% coverage: 14:487/498 of query aligns to 4:485/505 of O24174

query
sites
O24174

P

P

T

S

L

A

L

I

K

P

T

R

D

R

G

G

L

L

-

F

I

I

N

G

G

G

Q

G

W

W

V

R

V

E

G

P

S

S

-

L

-

G

S

R

R

R

F

L

D

P

V

V

N

V

D

N

P

P

A

A

T

T

G

E

L

A

K

T

L

I

A

G

D

D

V

I

A

P

N

A

L

A

G

T

P

A

A

E

D

D

A

V

E

E

A

L

A

A

I

V

A

S

A

A

A

A

N

R

A

D

A

A

W

F

G

G

-

R

-

D

-

G

-

G

-

R

P

H

W

W

K

S

T

R

K

A

T

P

A

G

K

A

E

V

R

R

S

A

I

K

I

Y

L

L

R

K

K

A

W

I

F

A

D

A

L

K

L

I

M

K

A

D

N

K

Q

K

D

S

D

Y

L

L

G

A

R

L

I

L

M

E

T

T

A

L

E

D

Q

S

G

G

K

K

P

P

L

L

A

D

E

E

A

A

K

A

G

G

E

D

V

M

A

E

Y

D

G

V

A

A

S

A

F

C

V

F

E

E

W

Y

F

Y

A

A

E

D

E

L

A

A

K

E

R

A

I

L

N

D

G

G

E

K

-

Q

-

R

-

A

-

P

-

I

T

S

L

L

P

P

Q

M

F

-

D

-

N

E

N

N

R

F

R

E

L

S

M

Y

V

V

L

L

K

K

Q

E

P

P

I

I

G

G

V

V

C

V

A

G

A

L

I

I

T

T

P

P

W

W

N
|
N

F

Y

P

P

L

L

A

L

M

M

I

A

T

T

R
x
W

K

K

V

V

A

A

P

P

A

A

L

L

A

A

A

A

G

G

C

C

P

T

V

A

V

V

I

L

K

K

P

P

A

S

E

E

L

L

T

A

P

S

L

L

T

T

A

C

L

L

A

E

A

L

A

G

E

G

L

I

A

C

I

A

R

E

A

I

G

G

I

L

P

P

A

P

G

G

V

V

F

L

N

N

I

I

L

I

P

T

A

G

D

L

S

G

D

T

N

E

S

A

I

-

A

-

I

-

G

G

K

A

V

P

L

L

C

A

A

S

S

H

D

P

V

H

V

V

R

D

H

K

I

I

S

A

F

F

T

T

G

G

S

S

T

T

E

E

V

T

G

G

R

K

I

R

L

I

M

M

A

I

Q

T

S

A

A

S

P

Q

T

M

V

V

K

K

K

P

M

V

S

S

L

L

E

E

L

L

G

G

G

G

N

K

A

S

P

P

F

L

I

I

V

V

F

F

D

D

D

D

A

V

D

D

I

I

D

D

S

K

A

A

V

V

E

E

G

W

A

A

F

M

A

F

S

G

K

C

Y

F

R

A

N

N

A

A

G

G

Q

Q

T

V

C

C

V

S

C

A

T

T

N

S

R

R

F

L

Y

L

V

L

Q

H

E

E

G

K

V

I

Y

A

D

K

E

R

F

F

V

L

A

D

K

R

F

L

A

V

A

A

K

W

V

A

K

K

T

S

A

I

K

K

V

I

G

S

N

D

G

P

F

L

E

E

A

E

G

G

V

C

N

R

Q

L

G

G

P

S

L

V

I

V

E

S

E

E

A

G

A

Q

L

Y

T

Q

K

K

V

I

Q

M

R

K

H

F

V

I

D

S

D

T

A

A

L

R

A

C

K

E

G

G

G

A

Q

T

V

I

V

L

A

Y

G

G

G

G

Q

A

R

R

L

P

T

Q

A

H

L

L

G

K

S

R

G

G

Q

F

F

F

F

I

E

E

P

P

T

T

V

I

V

I

A

T

N

N

A

V

T

S

A

T

D

S

M

M

L

Q

C

I

A

W

R

R

E

E

E

E

T

V

F

F

G

G

P

P

F

V

A

I

P

C

V

V

F

K

K

E

F

F

K

R

T

T

E

E

Q

R

E

E

A

A

I

V

D

E

A

L

A

A

N

N

N

D

T

T

E

H

F

Y

G

G

L

L

A

A

S

G

Y

A

F

V

Y

I

S

S

R

N

D

D

V

L

G

E

R

R

I

C

F

E

R

R

V

I

T

S

E

K

A

A

L

I

E

Q

Y

S

G

G

M

I

V

V

G

W

A

I

N

N

V

C

G

S

I

Q

L

P

A

C

T

F

E

V

H

Q

V

A

P

P

F

W

G

G

G

G

V

N

K

K

Q

R

S

S

G

G

L

F

G

G

R

R

E

E

G

L

S

G

H

Q

H

W

G

G

M

L

D

D

D

N

Y

Y

V

L

E

S

I

V

K

K

N164 (= N163) mutation to A: Slightly reduced affinity for NAD, 6-fold enhanced affinity for both gamma-4-aminobutyraldehyde (GAB-ald) and betaine aldehyde (Bet-ald), but 2-fold decrease in catalytic efficiency.
W172 (≠ R171) mutation to A: Slightly reduced affinity for NAD, enhanced affinity for both betaine aldehyde (Bet-ald) (10-fold) and gamma-4-aminobutyraldehyde (GAB-ald) (2-fold).; mutation to F: Slightly reduced affinity for NAD, but 6-fold enhanced affinity for both gamma-4-aminobutyraldehyde (GAB-ald) and betaine aldehyde (Bet-ald) and 2-fold increase in catalytic efficiency towards GAB-ald.

Q63639 Retinal dehydrogenase 2; RALDH 2; RalDH2; Aldehyde dehydrogenase family 1 member A2; ALDH1A2; Retinaldehyde-specific dehydrogenase type 2; RALDH(II); EC 1.2.1.36 from Rattus norvegicus (Rat) (see paper)
38% identity, 96% coverage: 8:487/498 of query aligns to 23:507/518 of Q63639

query
sites
Q63639

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IPW 184:186 (≠ TPW 160:162) binding
KPAE 210:213 (= KPAE 186:189) binding

4neaA 1.90 angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betb) from staphylococcus aureus in complex with NAD+ and bme-free cys289 (see paper)
37% identity, 94% coverage: 23:490/498 of query aligns to 22:492/505 of 4neaA

query
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4neaA

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active site: N166 (= N163), K189 (= K186), E264 (= E264), C298 (= C298), E399 (= E397), E476 (= E474)
binding nicotinamide-adenine-dinucleotide: P164 (= P161), K189 (= K186), E192 (= E189), G222 (≠ D218), G226 (= G226), G242 (= G242), G243 (≠ S243), T246 (≠ V246), H249 (≠ I249), I250 (≠ L250), C298 (= C298), E399 (= E397), F401 (= F399)

Query Sequence

>Ac3H11_4184 Aldehyde dehydrogenase B (EC 1.2.1.22)
MDMKTSPLALLNDPTLLKTDGLINGQWVVGSSRFDVNDPATGLKLADVANLGPADAEAAI
AAANAAWGPWKTKTAKERSIILRKWFDLLMANQDDLGRIMTAEQGKPLAEAKGEVAYGAS
FVEWFAEEAKRINGETLPQFDNNRRLMVLKQPIGVCAAITPWNFPLAMITRKVAPALAAG
CPVVIKPAELTPLTALAAAELAIRAGIPAGVFNILPADSDNSIAIGKVLCASDVVRHISF
TGSTEVGRILMAQSAPTVKKMSLELGGNAPFIVFDDADIDSAVEGAFASKYRNAGQTCVC
TNRFYVQEGVYDEFVAKFAAKVKTAKVGNGFEAGVNQGPLIEEAALTKVQRHVDDALAKG
GQVVAGGQRLTALGSGQFFEPTVVANATADMLCAREETFGPFAPVFKFKTEQEAIDAANN
TEFGLASYFYSRDVGRIFRVTEALEYGMVGANVGILATEHVPFGGVKQSGLGREGSHHGM
DDYVEIKYLCLGDIQSGK

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