SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing Ac3H11_3961 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)

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)
34% identity, 92% coverage: 39:511/512 of query aligns to 22:494/505 of 4neaA

query
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4neaA

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active site: N166 (= N180), K189 (= K203), E264 (= E278), C298 (= C312), E399 (= E414), E476 (= E493)
binding nicotinamide-adenine-dinucleotide: P164 (= P178), K189 (= K203), E192 (= E206), G222 (= G236), G226 (= G240), G242 (= G256), G243 (≠ S257), T246 (= T260), H249 (≠ R263), I250 (≠ V264), C298 (= C312), E399 (= E414), F401 (= F416)

7radA Crystal structure analysis of aldh1b1
39% identity, 92% coverage: 38:507/512 of query aligns to 16:483/493 of 7radA

query
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7radA

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binding nicotinamide-adenine-dinucleotide: I158 (= I176), I159 (≠ T177), P160 (= P178), W161 (= W179), N162 (= N180), M167 (≠ I185), K185 (= K203), E188 (= E206), G218 (= G236), G222 (= G240), A223 (= A241), T237 (= T255), G238 (= G256), S239 (= S257), V242 (≠ T260), E261 (= E278), L262 (≠ M279), C295 (= C312), E392 (= E414), F394 (= F416)
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 (≠ R134), F163 (= F181), E285 (≠ N302), F289 (= F306), N450 (≠ T472), V452 (= V475)

7mjdA Crystal structure analysis of aldh1b1
39% identity, 92% coverage: 38:507/512 of query aligns to 16:483/493 of 7mjdA

query
sites
7mjdA

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A

V

V

G

E

A

Q

A

C

I

H

N
x
E

S

A

G

L

F

F

F
|
F

S

N

T

M

G

G

Q

Q

R

C

C
|
C

T

C

A

A

S

G

S

S

R

R

V

T

I

F

V

V

T

E

E

E

G

S

I

I

H

Y

D

N

R

E

F

F

V

L

A

E

A

R

M

T

V

V

E

E

K

K

M

A

K

K

T

Q

L

R

K

K

V

V

D

G

D

N

A

P

R

F

K

E

A

L

G

D

T

T

D

Q

I

Q

G

G

P

P

V

Q

V

V

D

D

D

K

R

E

Q

Q

L

F

A

E

Q

R

D

V

L

L

E

G

Y

Y

I

I

G

Q

I

L

G

G

Q

Q

Q

K

E

E

G

G

A

A

K

K

L

L

A

L

Y

C

G

G

E

E

A

R

L

F

E

-

K

-

N

-

A

-

D

-

G

G

A

E

P

R

G

G

F

F

Y

F

L

I

R

K

P

P

A

T

L

V

F

F

T

G

E

G

T

V

T

Q

P

D

G

D

M

M

R

R

I

I

N

A

R

K

E

E

E
|
E

I

I

F
|
F

G

G

P

P

V

V

V

Q

S

P

V

L

L

F

R

K

A

F

K

K

N

K

Y

I

E

E

A

V

L

V

A

E

L

R

A

A

N

N

D

N

T

T

P

R

F

Y

G

G

L

L

A

A

S

A

G

A

I

V

A

F

T

T

T

R

S

D

L

L

K

D

H

K

A

A

T

M

H

Y

F

F

K

T

R

Q

H

A

A

L

Q

Q

A

A

G

G

M

T

V

V

M

W

V

V

N

N

L

T

P

Y

T
x
N

A

I

G

-

V
|
V

D

T

Y

C

H

H

V

T

P

P

F

F

G

G

R

F

K

K

S

E

S

S

S

G

Y

N

G

G

P

-

R

R

E

E

Q

L

G

G

R

E

Y

D

A

G

A

L

E

K

F

A

Y

Y

T

T

T

E

V

V

K

K

T

T

binding nicotinamide-adenine-dinucleotide: I158 (= I176), I159 (≠ T177), P160 (= P178), W161 (= W179), N162 (= N180), M167 (≠ I185), K185 (= K203), E188 (= E206), G218 (= G236), G222 (= G240), F236 (= F254), T237 (= T255), G238 (= G256), S239 (= S257), V242 (≠ T260), E261 (= E278), L262 (≠ M279), C295 (= C312), E392 (= E414), F394 (= F416)
binding 8-(2-methoxyphenyl)-10-(4-phenylphenyl)-1$l^{4},8-diazabicyclo[5.3.0]deca-1(7),9-diene: E117 (≠ R134), E285 (≠ N302), F289 (= F306), N450 (≠ T472), V452 (= V475)

7mjcA Crystal structure analysis of aldh1b1
39% identity, 92% coverage: 38:507/512 of query aligns to 16:483/493 of 7mjcA

query
sites
7mjcA

L

F

I

I

G

N

A

E

W

W

T

Q

D

D

G

A

V

V

-

S

-

K

R

K

T

T

Y

F

Q

P

N

T

T

V

N

N

P

P

S

T

D

-

T

T

R

G

D

E

V

V

I

I

G

G

D

H

Y

V

A

A

V

E

A

G

S

D

R

R

E

A

Q

D

A

V

L

D

D

R

A

A

V

V

A

K

A

A

H

R

A

E

A

A

F

F

P

-

A

-

W

-

S

R

L

L

S

G

T

S

P

P

Q

W

Q

R

R

R

F

M

D

D

-

A

-

S

-

E

-

R

-

G

-

R

I

L

L

L

D

N

A

R

V

L

G

A

N

D

E

L

I

V

I

E

A

R

R

D

K

R

A

V

E

Y

L

L

G

A

D

S

L

L

L

E

A

T

R

L

E

D

E

N

G

G

K

K

T

P

L

F

P

Q

E

E

A

S

I

Y

G

A

-

L

E

D

V

L

G

D

R

E

A

V

A

I

A

K

I

V

F

Y

K

R

F

Y

F

F

A

A

G

G

E

W

A

A

L

D

R

K

P

W

G

H

G

G

E

K

V

T

M

I

P

P

S

M

V

-

R

-

P

D

G

G

V

Q

G

H

I

F

E

C

I

F

T

T

R

R

-

H

E

E

P

P

L

V

G

G

T

V

I

C

G

G

I

Q

I
|
I

T
x
I

P
|
P

W
|
W

N
|
N

F

F

P

P

I

L

A

V

I

M

P

Q

A

G

W

W

K

K

I

L

A

A

P

P

A

A

L

L

A

A

Y

T

G

G

N

N

C

T

V

V

F

M

K
|
K

P

V

A

A

E
|
E

V

Q

V

T

P

P

G

L

S

S

A

A

W

L

A

Y

L

L

A

A

D

S

I

L

L

I

H

K

R

E

A

A

G

G

L

F

P

P

A

P

G

G

V

V

F

V

N

N

L

I

V

I

M

T

G

G

R

Y

G
|
G

S

P

D

T

V

A

G
|
G

A

A

V

A

L

I

L

A

E

Q

D

H

E

M

R

D

I

V

A

D

G

K

V

V

S

A

F

F

T
|
T

G
|
G

S
|
S

V

T

G

E

T
x
V

G

G

Q

H

R

L

V

I

A

Q

A

K

A

A

C

A

V

G

P

D

R

S

G

N

A

L

K

K

-

R

V

V

Q

T

L

L

E
|
E

M
x
L

G

G

K

K

N

S

P

P

F

S

V

I

V

V

L

L

D

A

D

D

A

A

D

D

L

M

N

E

V

H

A

A

V

V

G

E

A

Q

A

C

I

H

N

E

S

A

G

L

F

F

S

N

T

M

G

G

Q

Q

R

C

C
|
C

T

C

A

A

S

G

S

S

R

R

V

T

I

F

V

V

T

E

E

E

G

S

I

I

H

Y

D

N

R

E

F

F

V

L

A

E

A

R

M

T

V

V

E

E

K

K

M

A

K

K

T

Q

L

R

K

K

V

V

D

G

D

N

A

P

R

F

K

E

A

L

G

D

T

T

D

Q

I

Q

G

G

P

P

V

Q

V

V

D

D

D

K

R

E

Q

Q

L

F

A

E

Q

R

D

V

L

L

E

G

Y

Y

I

I

G

Q

I

L

G

G

Q

Q

Q

K

E

E

G

G

A

A

K

K

L

L

A

L

Y

C

G

G

E

E

A

R

L

F

E

-

K

-

N

-

A

-

D

-

G

G

A

E

P

R

G

G

F

F

Y

F

L

I

R

K

P

P

A

T

L

V

F

F

T

G

E

G

T

V

T

Q

P

D

G

D

M

M

R

R

I

I

N

A

R

K

E

E

E
|
E

I

I

F
|
F

G

G

P

P

V

V

V

Q

S

P

V

L

L

F

R

K

A

F

K

K

N

K

Y

I

E

E

A

V

L

V

A

E

L

R

A

A

N

N

D

N

T

T

P

R

F

Y

G

G

L

L

A

A

S

A

G

A

I

V

A

F

T

T

T

R

S

D

L

L

K

D

H

K

A

A

T

M

H

Y

F

F

K

T

R

Q

H

A

A

L

Q

Q

A

A

G

G

M

T

V

V

M

W

V

V

N

N

L

T

P

Y

T

N

A

I

G

-

V

V

D

T

Y

C

H

H

V

T

P

P

F

F

G

G

R

F

K

K

S

E

S

S

S

G

Y

N

G

G

P

-

R

R

E

E

Q

L

G

G

R

E

Y

D

A

G

A

L

E

K

F

A

Y

Y

T

T

T

E

V

V

K

K

T

T

binding nicotinamide-adenine-dinucleotide: I158 (= I176), I159 (≠ T177), P160 (= P178), W161 (= W179), N162 (= N180), K185 (= K203), E188 (= E206), G218 (= G236), G222 (= G240), T237 (= T255), G238 (= G256), S239 (= S257), V242 (≠ T260), E261 (= E278), L262 (≠ M279), C295 (= C312), E392 (= E414), F394 (= F416)

4pz2B Structure of zm aldh2-6 (rf2f) in complex with NAD (see paper)
40% identity, 92% coverage: 38:510/512 of query aligns to 14:486/494 of 4pz2B

query
sites
4pz2B

L

F

I

I

G

N

G

G

A

S

W

F

T

V

D

D

G

A

V

V

-

S

-

G

R

R

T

T

Y

F

Q

D

N

T

T

R

N

D

P

P

S

R

D

-

T

T

R

G

D

G

V

V

I

I

G

A

D

S

Y

V

A

A

V

E

A

A

S

D

R

K

E

E

Q

D

A

V

L

D

D

L

A

A

V

V

A

R

A

A

H

R

A

A

F

F

P

D

-

H

-

G

A

E

W

W

S

P

L

R

S

M

T

S

P

G

Q

S

Q

E

R

R

F

G

D

R

I

I

L

M

D

A

A

R

V

L

G

A

N

D

E

L

I

V

I

E

A

E

R

H

K

A

A

G

E

E

L

L

G

A

D

A

L

L

L

E

A

S

R

L

E

D

E

A

G

G

K

K

-

H

-

P

T

A

L

V

P

T

E

R

A

A

I

V

G

-

E

D

V

V

G

G

R

N

A

A

A

G

I

S

F

L

K

R

F

Y

F

F

A

A

G

G

E

A

A

A

L

D

R

K

P

I

G

H

G

G

E

E

V

T

-

L

-

K

M

M

P

P

S

G

V

Q

R

F

P

Q

G

G

V

-

G

-

I

-

E

H

I

T

T

L

R

R

E

E

P

P

L

L

G

G

T

V

I

A

G

G

I

V

I
|
I

T
x
I

P
|
P

W
|
W

N
|
N

F

F

P

P

I

S

A

T

I
x
M

P

F

A

A

W

V

K

K

I

V

A

A

P

P

A

A

L

L

A

A

Y

A

G

G

N

C

C

A

V

L

V

V

F

V

K
|
K

P

P

A
|
A

E
|
E

V

Q

V

T

P

P

G

L

S

S

A

A

W

L

A

Y

L

L

A

A

D

Q

I

L

L

A

H

K

R

Q

A

A

G

G

L

V

P

P

A

D

G

G

V

V

F

I

N

N

L

V

V

V

M

P

G

G

R

F

G
|
G

S

P

D

T

V

A

G
|
G

A

A

V

A

L

L

L

A

E

S

D

H

E

M

R

D

I

V

A

D

G

M

V

V

S

S

F
|
F

T
|
T

G
|
G

S
|
S

V

T

G

E

T
x
V

G

G

Q

R

R

L

V

I

A

M

A

K

A

A

C

S

V

A

P

E

R

S

G

N

A

L

K

K

-

P

V

V

Q

Y

L

L

E
|
E

M
x
L

G

G

K

K

N

S

P

P

F

L

V

I

V

V

L

F

D

D

A

A

D

D

L

L

N

D

V

M

A

A

V

V

G

E

A

L

A

A

I

V

N

G

S

A

G

S

F

F

S

N

T

K

G

G

Q

E

R

A

C
|
C

T

V

A

A

S

A

S

S

R

R

V

V

I

Y

V

V

T

Q

E

E

G

R

I

V

H

Y

D

D

R

R

F

F

V

E

A

E

A

R

M

L

V

A

E

E

K

R

M

M

K

R

T

S

L

W

K

V

V

V

D

G

D

D

A

P

-

F

R

S

K

D

A

P

G

R

T

A

D

D

I

Q

G

G

P

P

V

Q

V

V

D

D

D

K

R

A

Q

Q

L

Y

A

E

Q

R

D

V

L

L

E

S

Y

Y

I

I

G

D

I

H

G

G

Q

K

Q

R

E

E

G

G

A

A

K

T

L

L

A

L

Y

T

G

G

E

R

A

P

L

C

E

-

K

-

N

-

A

A

D

P

G

E

A

G

P

K

G

G

F

Y

Y

Y

L

I

R

E

P

P

A

T

L

V

F

F

T

T

E

N

T

V

T

K

P

E

G

D

M

M

R

I

I

I

N

A

R

K

E

E

E
|
E

I

I

F
|
F

G

G

P

P

V

V

V

M

S

C

V

L

L

M

R

K

A

F

K

K

N

T

Y

V

E

E

A

A

L

I

A

A

L

R

A

A

N

N

D

D

T

T

P

R

F

Y

G

G

L

L

A

G

S

A

G

G

I

V

A

V

T

T

T

R

S

D

L

L

K

D

H

V

A

A

T

N

H

R

F

V

K

V

R

R

H

S

A

V

Q

R

A

A

G

G

M

V

V

V

M

W

V

V

N

N

L

C

P

Y

T

F

A

A

G

-

V

M

D

G

Y

S

H

D

V

C

P

P

F

F

G

G

R

R

K

K

S

M

S

S

S

G

Y

F

G

G

P

-

R

K

E
x
D

Q

E

G

G

R

M

Y

H

A

A

A

L

E

D

F

K

Y

Y

T

L

T

A

V

V

K

K

T

S

A

V

Y

V

T

T

active site: N159 (= N180), K182 (= K203), E258 (= E278), C292 (= C312), E392 (= E414), D469 (≠ E493)
binding nicotinamide-adenine-dinucleotide: I155 (= I176), I156 (≠ T177), P157 (= P178), W158 (= W179), N159 (= N180), M164 (≠ I185), K182 (= K203), A184 (= A205), E185 (= E206), G215 (= G236), G219 (= G240), F233 (= F254), T234 (= T255), G235 (= G256), S236 (= S257), V239 (≠ T260), E258 (= E278), L259 (≠ M279), C292 (= C312), E392 (= E414), F394 (= F416)

3jz4A Crystal structure of e. Coli NADP dependent enzyme (see paper)
36% identity, 92% coverage: 38:506/512 of query aligns to 13:475/481 of 3jz4A

query
sites
3jz4A

L

L

I

I

G

N

G

G

A

E

W

W

T

L

D

D

G

A

V

N

-

N

-

G

R

E

T

A

Y

I

Q

D

N

V

T

T

N

N

P

P

S

A

D

N

T

G

R

-

D

D

V

K

I

L

G

G

D

S

Y

V

A

P

V

K

A

M

S

G

R

A

E

D

Q

E

A

T

L

R

D

A

A

A

V

I

A

D

A

A

H

N

A

R

A

A

F

L

P

P

A

A

W

W

S

R

L

A

S

L

T

T

P

A

Q

K

Q

E

R

R

F

A

D

T

I

I

L

L

D

R

A

N

V

W

G

F

N

N

E

L

I

M

A

E

R

H

K

Q

A

D

E

D

L

L

G

A

D

R

L

L

L

M

A

T

R

L

E

E

E

Q

G

G

K

K

T

P

L

L

P

A

E

E

A

A

I

K

G

G

E

E

V

I

G

S

R

Y

A

A

A

S

I

F

F

I

K

E

F

W

F

F

A

A

G

E

E

E

A

G

L

K

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R

P

I

G

Y

G

G

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D

V

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I

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I

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G

G

T

V

I

T

G

A

I

A

I

I

T

T

P
|
P

W
|
W

N
|
N

F

F

P

P

I

A

A

A

I

M

P

I

A

T

W

R

K

K

I

A

A

G

P

P

A

A

L

L

A

A

Y

A

G

G

N

C

C

T

V

M

V

V

F

L

K
|
K

P

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A
|
A

E
x
S

V

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P

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F

S

S

A

A

W

L

A

A

L

L

A

A

D

E

I

L

L

A

H

I

R

R

A

A

G

G

L

V

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P

A

A

G

G

V

V

F

F

N

N

L

V

V

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M

T

G

G

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x
A

S

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A

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G
|
G

A

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L

L

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D

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G

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S

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E

T
x
I

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G

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Q

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L

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M

A

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A

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C

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I

A

K

K

K

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E

M

L

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N

N

A

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P

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F

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I

V

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F

D

D

A

A

D

D

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L

N

D

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A

A

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A

G

A

A

I

L

N

A

S

S

G

K

F

F

F

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S

N

T

A

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G

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C
|
C

T

V

A

C

S

A

S

N

R

R

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L

I

Y

V

V

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D

G

G

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A

A

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D

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A

N

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T

I

I

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P

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L

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D

D

D

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Q

A

L

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A

A

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x
K

D

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L

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E

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Y

H

I

I

G

A

I

D

G

A

Q

L

Q

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K

G

G

A

A

K

R

L

V

A

V

Y

C

G

G

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K

A

A

L

H

E

E

K

R

N

G

A

-

D

-

G

-

A

-

P

-

G

G

F

N

Y

F

L

F

R

Q

P

P

A

T

L

I

F

L

T

V

E

D

T

V

T

P

P

A

G

N

M

A

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I

V

N

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E

E

E
|
E

I

T

F
|
F

G

G

P

P

V

L

V

A

S

P

V

L

L

F

R

R

A

F

K

K

N

D

Y

E

E

A

E

D

A

V

L

I

A

A

L

Q

A

A

N

N

D

D

T

T

P

E

F

F

G

G

L

L

A

A

S

A

G

Y

I

F

A

Y

T

A

T

R

S

D

L

L

K

S

H

R

A

V

T

F

H

R

F

V

K

G

R

E

H

A

A

L

Q

E

A

Y

G

G

M

I

V

V

M

G

V

I

N

N

L

-

P

-

T

T

A

G

G

I

V

I

D

S

Y

N

H

E

V

V

-

A

P

P

F

F

G

G

R

I

K

K

S

A

S

S

S

G

Y

L

G

G

P

-

R

R

E
|
E

Q

G

G

S

R

K

Y

Y

A

G

A

I

E

E

F

D

Y

Y

T

L

T

E

V

I

K

K

active site: N156 (= N180), K179 (= K203), E254 (= E278), C288 (= C312), E385 (= E414), E462 (= E493)
binding nadp nicotinamide-adenine-dinucleotide phosphate: P154 (= P178), W155 (= W179), K179 (= K203), A181 (= A205), S182 (≠ E206), A212 (≠ G236), G216 (= G240), G232 (= G256), S233 (= S257), I236 (≠ T260), C288 (= C312), K338 (≠ Q362), E385 (= E414), F387 (= F416)

P17202 Aminoaldehyde dehydrogenase BADH; 4-trimethylammoniobutyraldehyde dehydrogenase BADH; Aminobutyraldehyde dehydrogenase BADH; Betaine aldehyde dehydrogenase; SoBADH; EC 1.2.1.-; EC 1.2.1.47; EC 1.2.1.19; EC 1.2.1.8 from Spinacia oleracea (Spinach) (see 3 papers)
35% identity, 92% coverage: 38:506/512 of query aligns to 11:480/497 of P17202

query
sites
P17202

L

F

I

I

G

D

G

G

A

E

W

W

T

R

D

E

G

P

V

I

R

K

T

K

Y

N

Q

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-

I

-

P

N

V

T
x
I

N

N

P

P

S

S

D

-

T

T

R

E

D

E

V

I

I

I

G

G

D

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I

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A

A

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A

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D

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L

E

D

V

A

A

V

V

A

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A

A

H

R

A

R

A

A

F

F

-

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P

N

A

N

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W

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A

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G

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A

Q

H

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R

F

A

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Y

L

L

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A

A

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A

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A

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H

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K

L

L

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A

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x
D

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G

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F

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E

E

A

A

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E

D

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D

A

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A

A

A

S

I

C

F

F

K

E

F

Y

F

F

A

A

G

G

E

Q

A

A

-

E

L

A

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L

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D

G

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Q

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K

M

A

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P

S

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L

G

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I

V

G

G

I

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x
S

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|
P

W
|
W

N

N

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x
Y

P

P

I

L

A

L

I

M

P

A

A

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W
|
W

K

K

I

I

A

A

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P

A

A

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L

A

A

Y

A

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G

N

C

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T

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K

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x
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L

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A

C

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L

A

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A

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H

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R

E

A

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G

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L

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A

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G

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L

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N

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S

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x
S

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x
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T

G

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A

A

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x
V

A

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K

P

V

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x
L

G

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N

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D

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A

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x
W

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A

A

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A

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A

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S

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E

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G

A

A

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T

L

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A

L

Y

Y

G

G

-

S

-

R

-

P

E

E

A

H

L

L

E

K

K

K

N

-

A

-

D

-

G

-

A

-

P

-

G

G

F

Y

Y

Y

L

I

R

E

P

P

A

T

L

I

F

V

T

T

E

D

T

I

T

S

P

T

G

S

M

M

R

Q

I

I

N

W

R

K

E

E

E
|
E

I

V

F

F

G

G

P

P

V

V

V

L

S

C

V

V

L

K

R

T

A

F

K

S

N

S

Y

E

E

D

E

E

A

A

L

I

A

A

L

L

A

A

N

N

D

D

T

T

P

E

F

Y

G

G

L

L

A

A

S

A

G

A

I

V

A

F

T

S

T

N

S

D

L

L

K

E

H

R

A

C

T

E

H

R

F

I

K

T

R

K

H

A

A

L

Q

E

A

V

G

G

M
x
A

V

V

M

W

V

V

N

N

L

C

P

-

T

S

A

Q

G

P

V
x
C

D

F

Y

V

H

Q

V

A

P

P

F
x
W

G

G

R

I

K
|
K

S

R

S

S

S

G

Y

F

G

G

P

-

R

R

E

E

Q

L

G

G

R

E

Y

W

A

G

A

I

E

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F

N

Y

Y

T

L

T

N

V

I

K

K

I28 (≠ T53) binding
D96 (≠ E120) binding
SPW 156:158 (≠ TPW 177:179) binding
Y160 (≠ F181) mutation to A: Decreases binding affinity for betaine aldehyde; increases binding affinity for 4-(trimethylamino)butanal.
W167 (= W188) mutation to A: Decreases binding affinity for betaine aldehyde; increases binding affinity for 4-aminobutanal.
KPSE 182:185 (≠ KPAE 203:206) binding
L186 (≠ V207) binding
SSAT 236:239 (≠ SVGT 257:260) binding
V251 (≠ G272) binding in other chain
L258 (≠ M279) binding
W285 (≠ F306) mutation to A: Decreases binding affinity for betaine aldehyde.
E390 (= E414) binding
A441 (≠ M465) mutation to I: Decreases binding affinity for betaine aldehyde; increases binding affinity for 4-aminobutanal.
C450 (≠ V475) mutation to S: Loss of partial inactivation by betaine aldehyde in the absence of NAD(+).
W456 (≠ F481) binding ; mutation to A: Decreases binding affinity for betaine aldehyde.
K460 (= K485) binding

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)
36% identity, 92% coverage: 38:506/512 of query aligns to 14:476/482 of P25526

query
sites
P25526

L

L

I

I

G

N

G

G

A

E

W

W

T

L

D

D

G

A

V

N

-

N

-

G

R

E

T

A

Y

I

Q

D

N

V

T

T

N

N

P

P

S

A

D

N

T

G

R

-

D

D

V

K

I

L

G

G

D

S

Y

V

A

P

V

K

A

M

S

G

R

A

E

D

Q

E

A

T

L

R

D

A

A

A

V

I

A

D

A

A

H

N

A

R

A

A

F

L

P

P

A

A

W

W

S

R

L

A

S

L

T

T

P

A

Q

K

Q

E

R

R

F

A

D

T

I

I

L

L

D

R

A

N

V

W

G

F

N

N

E

L

I

M

A

E

R

H

K

Q

A

D

E

D

L

L

G

A

D

R

L

L

L

M

A

T

R

L

E

E

E

Q

G

G

K

K

T

P

L

L

P

A

E

E

A

A

I

K

G

G

E

E

V

I

G

S

R

Y

A

A

A

S

I

F

F

I

K

E

F

W

F

F

A

A

G

E

E

E

A

G

L

K

R

R

P

I

G

Y

G

G

E

D

V

T

M

I

P

P

S

G

V

H

R

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P

A

G

D

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K

G

R

I

L

E

I

I

V

T

I

R

K

E

Q

P

P

L

I

G

G

T

V

I

T

G

A

I

A

I

I

T

T

P

P

W
|
W

N
|
N

F

F

P

P

I

A

A

A

I

M

P

I

A

T

W

R

K

K

I

A

A

G

P

P

A

A

L

L

A

A

Y

A

G

G

N

C

C

T

V

M

V

V

F

L

K
|
K

P
|
P

A
|
A

E
x
S

V

Q

V

T

P

P

G

F

S

S

A

A

W

L

A

A

L

L

A

A

D

E

I

L

L

A

H

I

R

R

A

A

G

G

L

V

P

P

A

A

G

G

V

V

F

F

N

N

L

V

V

V

M

T

G

G

R

S

G

A

S

G

D

A

V

V

G

G

A

N

V

E

L

L

L

T

E

S

D

N

E

P

R

L

I

V

A

R

G

K

V

L

S

S

F

F

T

T

G
|
G

S
|
S

V

T

G

E

T

I

G

G

Q

R

R

Q

V

L

A

M

A

E

A

Q

C

C

V

A

P

K

R

D

G

I

A

K

K

K

V

V

Q

S

L

L

E

E

M
x
L

G

G

K

N

N

A

P

P

F

F

V

I

V

V

L

F

D

D

A

A

D

D

L

L

N

D

V

K

A

A

V

V

G

E

A

G

A

A

I

L

N

A

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G

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F

F

F

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N

T

A

G

G

Q

Q

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C

C

T

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A

C

S

A

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N

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D

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Q

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T

K

L

L

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H

V

I

D

G

D

D

A

G

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D

A

N

G

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D

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G

A

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R

L

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A

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Y

C

G

G

E

K

A

A

L

H

E

E

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R

N

G

A

-

D

-

G

-

A

-

P

-

G

G

F

N

Y

F

L

F

R

Q

P

P

A

T

L

I

F

L

T

V

E

D

T

V

T

P

P

A

G

N

M

A

R

K

I

V

N

S

R

K

E

E

E
|
E

I

T

F

F

G

G

P

P

V

L

V

A

S

P

V

L

L

F

R

R

A

F

K

K

N

D

Y

E

E

A

E

D

A

V

L

I

A

A

L

Q

A

A

N

N

D

D

T

T

P

E

F

F

G

G

L

L

A

A

S

A

G

Y

I

F

A

Y

T

A

T

R

S

D

L

L

K

S

H

R

A

V

T

F

H

R

F

V

K

G

R

E

H

A

A

L

Q

E

A

Y

G

G

M

I

V

V

M

G

V

I

N

N

L

-

P

-

T

T

A

G

G

I

V

I

D

S

Y

N

H

E

V

V

-

A

P

P

F

F

G

G

R

I

K

K

S

A

S

S

S

G

Y

L

G

G

P

-

R

R

E

E

Q

G

G

S

R

K

Y

Y

A

G

A

I

E

E

F

D

Y

Y

T

L

T

E

V

I

K

K

WN 156:157 (= WN 179:180) binding
KPAS 180:183 (≠ KPAE 203:206) binding
GS 233:234 (= GS 256:257) binding
L256 (≠ M279) binding
E386 (= E414) binding

P54115 Magnesium-activated aldehyde dehydrogenase, cytosolic; Mg(2+)-activated acetaldehyde dehydrogenase; Mg(2+)-ACDH; EC 1.2.1.-; EC 1.2.1.4 from Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast) (see 2 papers)
38% identity, 90% coverage: 48:506/512 of query aligns to 41:494/500 of P54115

query
sites
P54115

R

K

T

T

Y

Y

Q

P

N

V

T

E

N

D

P

P

S

S

D

-

T

T

R

E

D

N

V

T

I

V

G

C

D

E

Y

V

A

S

V

S

A

A

S

T

R

T

E

E

Q

D

A

V

L

E

D

Y

A

A

V

I

A

E

A

C

A

A

H

D

A

R

A

A

F

F

-

H

-

D

P

T

A

E

W

W

S

A

L

T

S

Q

T

D

P

P

Q

R

Q

E

R

R

F

G

D

R

I

L

L

L

D

S

A

K

V

L

G

A

N

D

E

E

I

L

I

E

A

S

R

Q

K

I

A

D

E

L

L

V

G

S

D

S

L

I

L

E

A

A

R

L

E

D

E

N

G

G

K

K

T

T

L

L

P

A

E

L

A

A

I

R

G

G

E

D

V

V

G

T

R

I

A

A

A

I

A

N

I

C

F

L

K

R

F

D

F

A

A

A

G

A

E

Y

A

A

L

D

R

K

P

V

G

N

G

G

E

R

V

T

M

I

P

-

S

N

V

T

R

G

P

D

G

G

V

Y

G

M

I

N

E

F

I

T

T

T

R

L

E

E

P

P

L

I

G

G

T

V

I

C

G

G

I

Q

I

I

T

I

P

P

W

W

N

N

F

F

P

P

I

I

A

M

I

M

P

L

A

A

W

W

K

K

I

I

A

A

P

P

A

A

L

L

A

A

Y

M

G

G

N

N

C

V

V

C

V

I

F

L

K

K

P

P

A

A

E

A

V

V

V

T

P

P

G

L

S

N

A

A

W

L

A

Y

L

F

A

A

D

S

I

L

L

C

H

K

R

K

A

V

G

G

L

I

P

P

A

A

G

G

V

V

F

V

N

N

L

I

V

V

M

P

G

G

R

P

G

G

S

R

D

T

V

V

G

G

A

A

V

A

L

L

L

T

E

N

D

D

E

P

R

R

I

I

A

R

G

K

V

L

S

A

F

F

T

T

G

G

S

S

V

T

G

E

T

V

G

G

Q

K

R

S

V

V

A

A

A

V

A

D

C

S

V

S

P

E

R

S

G

N

-

L

A

K

K

K

V

I

Q

T

L

L

E

E

M

L

G

G

K

K

N

S

P

A

F

H

V

L

V

V

L

F

D

D

A

A

D

N

L

I

N

K

V

K

A

T

V

L

G

P

A

N

A

L

I

V

N

N

S

G

G

I

F

F

F

K

S

N

T

A

G

G

Q

Q

R

I

C

C

T

S

A

S

S

G

S

S

R

R

V

I

I

Y

V

V

T

Q

E

E

G

G

I

I

H

Y

D

D

R

E

F

L

V

L

A

A

M

F

V

K

E

A

K

Y

M

L

K

E

T

T

-

E

L

I

K

K

V

V

D

G

D

N

A

P

R

F

K

D

A

K

G

A

T

N

D

F

I

Q

G

G

P

A

V

I

V

T

D

N

D

R

R

Q

Q

Q

L

F

A

D

Q

T

D

I

L

M

E

N

Y

Y

I

I

G

D

I

I

G

G

Q

K

E

E

G

G

A

A

K

K

L

I

A

L

Y

T

G

G

E

E

A

K

L

V

E

-

K

-

N

-

A

-

D

-

G

G

A

D

P

K

G

G

F

Y

Y

F

L

I

R

R

P

P

A

T

L

V

F

F

T

Y

E

D

T

V

T

N

P

E

G

D

M

M

R

R

I

I

N

V

R

K

E

E

I

I

F

F

G

G

P

P

V

V

S

T

V

V

L

A

R

K

A

F

K

K

N

T

Y

L

E

E

A

G

L

V

A

E

L

M

A

A

N

N

D

S

T

S

P

E

F

F

G

G

L

L

A

G

S

S

G

G

I

I

A

E

T

T

T

E

S

S

L

L

K

S

H

T

A

G

T

L

H

K

F

V

K

A

R

K

H

M

A

L

Q

K

A

A

G

G

M

T

V

V

M

W

V

I

N

N

L

T

P

Y

T

N

A

-

G

D

V

F

D

D

Y

S

H

R

V

V

P

P

F

F

G

G

R

V

K

K

S

Q

S

S

S

G

Y

Y

G

G

P

-

R

R

E

E

Q

M

G

G

R

E

Y

E

A

V

A

Y

E

H

F

A

Y

Y

T

T

T

E

V

V

K

K

Sites not aligning to the query:

1 modified: Initiator methionine, Removed
3 modified: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin)

4v37A Crystal structure of betaine aldehyde dehydrogenase from spinach showing a thiohemiacetal with 3-aminopropionaldehyde
34% identity, 92% coverage: 38:506/512 of query aligns to 9:478/495 of 4v37A

query
sites
4v37A

L

F

I

I

G

D

G

G

A

E

W

W

T

R

D

E

G

P

V

I

R

K

T

K

Y

N

Q

R

-

I

-

P

N

V

T

I

N

N

P

P

S

S

D

-

T

T

R

E

D

E

V

I

I

I

G

G

D

D

Y

I

A

P

V

A

A

A

S

T

R

A

E

E

Q

D

A

V

L

E

D

V

A

A

V

V

A

V

A

A

H

R

A

R

A

A

F

F

-

R

P

N

A

N

W

W

S

S

L

A

S

T

T

S

P

G

Q

A

Q

H

R

R

F

A

D

T

I

Y

L

L

D

R

A

A

V

I

G

A

N

A

E

K

I

I

I

T

A

E

R

K

K

K

A

D

E

H

L

F

G

V

D

K

L

L

L

E

A

T

R

I

E

D

E

S

G

G

K

K

T

P

L

F

P

D

E

E

A

A

I

V

G

L

E

D

V

I

G

D

R

D

A

V

A

A

A

S

I

C

F

F

K

E

F

Y

F

F

A

A

G

G

E

Q

A

A

-

E

L

A

R

L

P

D

G

G

G

K

E

Q

V

K

M

A

P

P

S

V

V

T

R

L

P

P

G

M

V

E

G

R

I

F

E

K

-

S

-

H

I

V

T

L

R

R

E

Q

P

P

L

L

G

G

T

V

I

V

G

G

I

L

I
|
I

T
x
S

P
|
P

W
|
W

N
|
N

F

Y

P

P

I

L

A

L

I
x
M

P

A

A

T

W

W

K

K

I

I

A

A

P

P

A

A

L

L

A

A

Y

A

G

G

N

C

C

T

V

A

V

V

F

L

K
|
K

P

P

A
x
S

E
|
E

V

L

V

A

P

S

G

V

S

T

A

C

W

L

A

E

L

F

A

G

D

E

I

V

L

C

H

N

R

E

A

V

G

G

L

L

P

P

A

P

G

G

V

V

F

L

N

N

L

I

V

L

M

T

G

G

R

L

G
|
G

S

P

D

D

V

A

G
|
G

A
|
A

V

P

L

L

L

V

E

S

D

H

E

P

R

D

I

V

A

D

G

K

V

I

S

A

F

F

T
|
T

G
|
G

S
|
S

V

S

G

A

T
|
T

G

G

Q

S

R

K

V

V

A

M

A

A

A

S

C

A

V

A

P

Q

R

L

G

V

A

K

K

P

V

V

Q

T

L

L

E
|
E

M
x
L

G

G

K

K

N

S

P

P

F

I

V

V

L

F

D

E

D

D

A

V

D

D

L

I

N

D

V

K

A

V

V

V

G

E

A

W

A

T

I

I

N

F

S

G

G

C

F

F

F

W

S

T

T

N

G

G

Q

Q

R

I

C
x
A

T

S

A

A

S

T

S

S

R

R

V

L

I

L

V

V

T

H

E

E

G

S

I

I

H

A

D

A

R

E

F

F

V

V

A

D

A

K

M

L

V

V

E

K

K

W

M

T

K

K

T

N

L

I

K

K

V

I

D

S

D

D

A

P

R

F

K

E

A

E

G

G

T

C

D

R

I

L

G

G

P

P

V

V

V

I

D

S

D

K

R

G

Q

Q

L

Y

A

D

Q

K

D

I

L

M

E

K

Y

F

I

I

G

S

I

T

G

A

Q

K

Q

S

E

E

G

G

A

A

K

T

L

I

A

L

Y

Y

G

G

-

S

-

R

-

P

E

E

A

H

L

L

E

K

K

K

N

-

A

-

D

-

G

-

A

-

P

-

G

G

F

Y

Y

Y

L

I

R

E

P

P

A

T

L

I

F

V

T

T

E

D

T

I

T

S

P

T

G

S

M

M

R

Q

I

I

N

W

R

K

E

E

E
|
E

I

V

F
|
F

G

G

P

P

V

V

V

L

S

C

V

V

L

K

R

T

A

F

K

S

N

S

Y

E

E

D

E

E

A

A

L

I

A

A

L

L

A

A

N

N

D

D

T

T

P

E

F

Y

G

G

L

L

A

A

S

A

G

A

I

V

A

F

T

S

T

N

S

D

L

L

K

E

H

R

A

C

T

E

H

R

F

I

K

T

R

K

H

A

A

L

Q

E

A

V

G

G

M

A

V

V

M

W

V

V

N

N

L

C

P

-

T

S

A

Q

G

P

V
x
C

D

F

Y

V

H

Q

V

A

P

P

F
x
W

G

G

R

I

K

K

S

R

S

S

S

G

Y

F

G

G

P

-

R

R

E
|
E

Q

L

G

G

R

E

Y

W

A

G

A

I

E

Q

F

N

Y

Y

T

L

T

N

V

I

K

K

active site: N157 (= N180), K180 (= K203), E255 (= E278), A289 (≠ C312), E388 (= E414), E465 (= E493)
binding 3-aminopropan-1-ol: C448 (≠ V475), W454 (≠ F481)
binding nicotinamide-adenine-dinucleotide: I153 (= I176), S154 (≠ T177), P155 (= P178), W156 (= W179), N157 (= N180), M162 (≠ I185), K180 (= K203), S182 (≠ A205), E183 (= E206), G213 (= G236), G217 (= G240), A218 (= A241), T232 (= T255), G233 (= G256), S234 (= S257), T237 (= T260), E255 (= E278), L256 (≠ M279), A289 (≠ C312), E388 (= E414), F390 (= F416)

7a6qB Crystal structure of human aldehyde dehydrogenase 1a3 in complex with selective nr6 inhibitor compound (see paper)
38% identity, 92% coverage: 38:507/512 of query aligns to 17:484/489 of 7a6qB

query
sites
7a6qB

L

F

I

I

G

N

A

E

W

W

T

H

D

E

G

S

V

K

-

S

-

G

R

K

T

K

Y

F

Q
x
A

N
x
T

T
x
C

N

N

P
|
P

S

S

D

-

T

T

R

R

D

E

V

Q

I

I

G

C

D

E

Y

V

A

E

V

E

A

G

S

D

R

K

E

P

Q

D

A

V

L

D

D

K

A

A

V

V

A

E

A

A

H

Q

A

V

A

A

F

F

P

-

A

-

W

-

S

Q

L

R

S

G

T

S

P

P

Q

W

Q

R

R

R

F

L

D

D

-

A

-

L

-

S

-

R

-

G

-

R

I

L

L

L

D

H

A

Q

V

L

G

A

N

D

E

L

I

V

I

E

A

R

R

D

K

R

A

A

E

T

L

L

G

A

D

A

L

L

L

E

A

T

R

M

E
x
D

E

T

G

G

K

K

T

P

L

F

P

L

E

H

A

A

I

F

G

F

-

I

E

D

V

L

G

E

R
x
G

A

C

A

I

A

R

I

T

F

L

K

R

F

Y

F

F

A

A

G

G

E

W

A

A

L

D

R

K

P

I

G

Q

G

G

E

K

V

T

M

I

P

P

S

T

V

-

R
x
D

P

D

G
x
N

V

V

G

V

I

C

E

F

I

T

T

R

R

H

E

E

P

P

L

I

G

G

T

V

I

C

G

G

I

A

I
|
I

T

T

P

P

W
|
W

N
|
N

F

F

P

P

I

L

A

L

I

M

P

L

A

V

W

W

K

K

I

L

A

A

P

P

A

A

L

L

A

C

Y

C

G

G

N

N

C

T

V

M

V

V

F

L

K
|
K

P

P

A

A

E
|
E

V
x
Q

V

T

P

P

G

L

S

T

A

A

W

L

A

Y

L

L

A

G

D

S

I

L

L

I

H

K

R

E

A

A

G

G

L

F

P

P

A

P

G

G

V

V

F

V

N

N

L

I

V

V

M

P

G

G

R
x
F

G
|
G

S

P

D

T

V

V

G
|
G

A

A

V

A

L

I

L

S

E

S

D

H

E

P

R

Q

I

I

A

N

G

K

V

I

S

A

F

F

T

T

G

G

S
|
S

V

T

G

E

T
x
V

G

G

Q

K

R

L

V

V

A

K

-

E

A

A

C

S

V

R

P

S

R

N

G

L

A

K

K

R

V

V

Q

T

L

L

E
|
E

M

L

G

G

K

K

N

N

P

P

F

C

V

I

V

V

L

C

D

A

D

D

A

A

D

D

L

L

N

D

V

L

A

A

V

V

G

E

A

C

A

A

I

H

N

Q

S

G

G

V

F

F

S

N

T

Q

G

G

Q

Q

R

C

C
|
C

T

T

A

A

S

A

S

S

R

R

V

V

I

F

V

V

T

E

E

E

G

Q

I

V

H

Y

D

S

R

E

F

F

V

V

A

R

M

S

V

V

E

E

K

Y

M

A

K

K

T

K

L

R

K

P

V

V

D

G

D

D

A

P

R

F

K

D

A

V

G

K

T

T

D

E

I

Q

G

G

P

P

V

Q

V
x
I

D
|
D

D

Q

R
x
K

Q

Q

L

F

A

D

Q

K

D

I

L

L

E

E

Y

L

I

I

G

E

I

S

G

G

Q

K

E

E

G

G

A

A

K

K

L

L

A

E

Y

C

G

G

E

S

A

A

L

M

E

E

K

D

N

K

A

-

D

-

G

-

A

-

P

-

G

G

F

L

Y

F

L

I

R

K

P

P

A

T

L

V

F

F

T

S

E

E

T

V

T

T

P

D

G

N

M

M

R

R

I

I

N

A

R

K

E

E

I

I

F

F

G

G

P

P

V

V

V

Q

S

P

V

I

L

L

R

K

A

F

K

K

N

S

Y

I

E

E

A

V

L

I

A

K

L

R

A

A

N

N

D

S

T

T

P

D

F

Y

G

G

L

L

A

T

S

A

G

A

I

V

A

F

T

T

T

K

S

N

L

L

K

D

H

K

A

A

T

L

H

K

F

L

K

A

R

S

H

A

A

L

Q

E

A

S

G

G

M

T

V

V

M

W

V

I

N

N

L

C

P

Y

T
x
N

A

A

G

-

V
x
L

D

Y

Y
x
A

H

Q

V

A

P

P

F

F

G

G

R

F

K

K

S

M

S

S

S

G

Y

N

G

G

P

-

R

R

E
|
E

Q

L

G

G

R

E

Y

Y

A

A

A

L

E

A

F

E

Y

Y

T

T

T

E

V

V

K

K

T

T

active site: N163 (= N180), E262 (= E278), C296 (= C312), E470 (= E493)
binding nicotinamide-adenine-dinucleotide: I159 (= I176), W162 (= W179), K186 (= K203), E189 (= E206), G219 (= G236), G223 (= G240), S240 (= S257), V243 (≠ T260), K342 (≠ R358)
binding (3-oxidanylidene-3-sodiooxy-propanoyl)oxysodium: A32 (≠ Q51), T33 (≠ N52), C34 (≠ T53), P36 (= P55), D103 (≠ E120), E189 (= E206), Q190 (≠ V207), F218 (≠ R235), I339 (≠ V355), D340 (= D356)
binding 3-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzenecarbonitrile: G118 (≠ R134), D141 (≠ R158), N143 (≠ G160), N451 (≠ T472), L453 (≠ V475), A455 (≠ Y477)

7a6qA Crystal structure of human aldehyde dehydrogenase 1a3 in complex with selective nr6 inhibitor compound (see paper)
38% identity, 92% coverage: 38:507/512 of query aligns to 17:484/489 of 7a6qA

query
sites
7a6qA

L

F

I

I

G

N

A

E

W

W

T

H

D

E

G

S

V

K

-

S

-

G

R

K

T

K

Y

F

Q

A

N

T

T

C

N

N

P

P

S

S

D

-

T

T

R

R

D

E

V

Q

I

I

G

C

D

E

Y

V

A

E

V

E

A

G

S

D

R

K

E

P

Q

D

A

V

L

D

D

K

A

A

V

V

A

E

A

A

H

Q

A

V

A

A

F

F

P

-

A

-

W

-

S

Q

L

R

S

G

T

S

P

P

Q

W

Q

R

R

R

F

L

D

D

-

A

-

L

-

S

-

R

-

G

-

R

I

L

L

L

D

H

A

Q

V

L

G

A

N

D

E

L

I

V

I

E

A

R

R

D

K

R

A

A

E

T

L

L

G

A

D

A

L

L

L

E

A

T

R

M

E

D

E

T

G

G

K

K

T

P

L

F

P

L

E

H

A

A

I

F

G

F

-

I

E

D

V

L

G

E

R
x
G

A

C

A

I

A

R

I

T

F

L

K

R

F

Y

F

F

A

A

G

G

E

W

A

A

L

D

R

K

P

I

G

Q

G

G

E

K

V

T

M

I

P

P

S

T

V

-

R
x
D

P

D

G
x
N

V

V

G

V

I

C

E

F

I

T

T

R

R

H

E

E

P

P

L

I

G

G

T

V

I

C

G

G

I

A

I
|
I

T
|
T

P

P

W
|
W

N
|
N

F

F

P

P

I

L

A

L

I

M

P

L

A

V

W

W

K

K

I

L

A

A

P

P

A

A

L

L

A

C

Y

C

G

G

N

N

C

T

V

M

V

V

F

L

K
|
K

P

P

A
|
A

E
|
E

V

Q

V

T

P

P

G

L

S

T

A

A

W

L

A

Y

L

L

A

G

D

S

I

L

L

I

H

K

R

E

A

A

G

G

L

F

P

P

A

P

G

G

V

V

F

V

N

N

L

I

V

V

M

P

G

G

R

F

G
|
G

S

P

D

T

V

V

G
|
G

A

A

V

A

L

I

L

S

E

S

D

H

E

P

R

Q

I

I

A

N

G

K

V

I

S

A

F

F

T

T

G

G

S
|
S

V

T

G

E

T
x
V

G

G

Q

K

R

L

V

V

A

K

-

E

A

A

C

S

V

R

P

S

R

N

G

L

A

K

K

R

V

V

Q

T

L

L

E
|
E

M

L

G

G

K

K

N

N

P

P

F

C

V

I

V

V

L

C

D

A

D

D

A

A

D

D

L

L

N

D

V

L

A

A

V

V

G

E

A

C

A

A

I

H

N

Q

S

G

G

V

F

F

S

N

T

Q

G

G

Q

Q

R

C

C
|
C

T

T

A

A

S

A

S

S

R

R

V

V

I

F

V

V

T

E

E

E

G

Q

I

V

H

Y

D

S

R

E

F

F

V

V

A

R

M

S

V

V

E

E

K

Y

M

A

K

K

T

K

L

R

K

P

V

V

D

G

D

D

A

P

R

F

K

D

A

V

G

K

T

T

D

E

I

Q

G

G

P

P

V

Q

V

I

D

D

D

Q

R
x
K

Q

Q

L

F

A

D

Q
x
K

D

I

L

L

E

E

Y

L

I

I

G

E

I

S

G

G

Q

K

E

E

G

G

A

A

K

K

L

L

A

E

Y

C

G

G

E

S

A

A

L

M

E

E

K

D

N

K

A

-

D

-

G

-

A

-

P

-

G

G

F

L

Y

F

L

I

R

K

P

P

A

T

L

V

F

F

T

S

E

E

T

V

T

T

P

D

G

N

M

M

R

R

I

I

N

A

R

K

E

E

I

I

F

F

G

G

P

P

V

V

V

Q

S

P

V

I

L

L

R

K

A

F

K

K

N

S

Y

I

E

E

A

V

L

I

A

K

L

R

A

A

N

N

D

S

T

T

P

D

F

Y

G

G

L

L

A

T

S

A

G

A

I

V

A

F

T

T

T

K

S

N

L

L

K

D

H

K

A

A

T

L

H

K

F

L

K

A

R

S

H

A

A

L

Q

E

A

S

G

G

M

T

V

V

M

W

V

I

N

N

L

C

P

Y

T
x
N

A

A

G

-

V
x
L

D
x
Y

Y

A

H

Q

V

A

P

P

F

F

G

G

R

F

K

K

S

M

S

S

S

G

Y

N

G

G

P

-

R

R

E
|
E

Q

L

G

G

R

E

Y

Y

A

A

A

L

E

A

F

E

Y

Y

T

T

T

E

V

V

K

K

T

T

active site: N163 (= N180), E262 (= E278), C296 (= C312), E470 (= E493)
binding nicotinamide-adenine-dinucleotide: I159 (= I176), T160 (= T177), W162 (= W179), K186 (= K203), A188 (= A205), E189 (= E206), G219 (= G236), G223 (= G240), S240 (= S257), V243 (≠ T260), K342 (≠ R358), K346 (≠ Q362)
binding 3-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzenecarbonitrile: G118 (≠ R134), D141 (≠ R158), N143 (≠ G160), N451 (≠ T472), L453 (≠ V475), Y454 (≠ D476)

5fhzA Human aldehyde dehydrogenase 1a3 complexed with NAD(+) and retinoic acid (see paper)
38% identity, 92% coverage: 38:507/512 of query aligns to 17:484/489 of 5fhzA

query
sites
5fhzA

L

F

I

I

G

N

A

E

W

W

T

H

D

E

G

S

V

K

-

S

-

G

R

K

T

K

Y

F

Q

A

N

T

T

C

N

N

P

P

S

S

D

-

T

T

R

R

D

E

V

Q

I

I

G

C

D

E

Y

V

A

E

V

E

A

G

S

D

R

K

E

P

Q

D

A

V

L

D

D

K

A

A

V

V

A

E

A

A

H

Q

A

V

A

A

F

F

P

-

A

-

W

-

S

Q

L

R

S

G

T

S

P

P

Q

W

Q

R

R

R

F

L

D

D

-

A

-

L

-

S

-

R

-

G

-

R

I

L

L

L

D

H

A

Q

V

L

G

A

N

D

E

L

I

V

I

E

A

R

R

D

K

R

A

A

E

T

L

L

G

A

D

A

L

L

L

E

A

T

R

M

E

D

E

T

G

G

K

K

T

P

L

F

P

L

E

H

A

A

I

F

G

F

-

I

E

D

V

L

G

E

R
x
G

A

C

A

I

A
x
R

I

T

F

L

K

R

F

Y

F

F

A

A

G

G

E

W

A

A

L

D

R

K

P

I

G

Q

G

G

E

K

V

T

M

I

P

P

S

T

V

-

R

D

P

D

G

N

V

V

G

V

I

C

E

F

I

T

T

R

R

H

E

E

P

P

L

I

G

G

T

V

I

C

G

G

I

A

I
|
I

T
|
T

P

P

W
|
W

N
|
N

F
|
F

P

P

I

L

A

L

I
x
M

P

L

A

V

W
|
W

K

K

I

L

A

A

P

P

A

A

L

L

A

C

Y

C

G

G

N

N

C

T

V

M

V

V

F

L

K
|
K

P

P

A

A

E
|
E

V

Q

V

T

P

P

G

L

S

T

A

A

W

L

A

Y

L

L

A

G

D

S

I

L

L

I

H

K

R

E

A

A

G

G

L

F

P

P

A

P

G

G

V

V

F

V

N

N

L

I

V

V

M

P

G

G

R

F

G
|
G

S

P

D

T

V

V

G
|
G

A

A

V

A

L

I

L

S

E

S

D

H

E

P

R

Q

I

I

A

N

G

K

V

I

S

A

F
|
F

T

T

G
|
G

S
|
S

V
x
T

G

E

T
x
V

G

G

Q

K

R

L

V

V

A

K

-

E

A

A

C

S

V

R

P

S

R

N

G

L

A

K

K

R

V

V

Q

T

L

L

E
|
E

M

L

G
|
G

G

G

K

K

N

N

P

P

F

C

V

I

V

V

L

C

D

A

D

D

A

A

D

D

L

L

N

D

V

L

A

A

V

V

G

E

A

C

A

A

I

H

N

Q

S

G

G

V

F

F

S

N

T

Q

G

G

Q

Q

R
x
C

C
|
C

T

T

A

A

S

A

S

S

R

R

V

V

I

F

V

V

T

E

E

E

G

Q

I

V

H

Y

D

S

R

E

F

F

V

V

A

R

M

S

V

V

E

E

K

Y

M

A

K

K

T

K

L

R

K

P

V

V

D

G

D

D

A

P

R

F

K

D

A

V

G

K

T

T

D

E

I

Q

G

G

P

P

V

Q

V

I

D

D

D

Q

R

K

Q
|
Q

L

F

A

D

Q

K

D

I

L

L

E

E

Y

L

I

I

G

E

I

S

G

G

Q

K

E

E

G

G

A

A

K

K

L

L

A

E

Y

C

G

G

E

S

A

A

L

M

E

E

K

D

N

K

A

-

D

-

G

-

A

-

P

-

G

G

F

L

Y

F

L

I

R

K

P

P

A

T

L

V

F

F

T

S

E

E

T

V

T

T

P

D

G

N

M

M

R

R

I

I

N

A

R

K

E

E

E
|
E

I

I

F

F

G

G

P

P

V

V

V

Q

S

P

V

I

L

L

R

K

A

F

K

K

N

S

Y

I

E

E

A

V

L

I

A

K

L

R

A

A

N

N

D

S

T

T

P

D

F

Y

G

G

L

L

A

T

S

A

G

A

I

V

A

F

T

T

T

K

S

N

L

L

K

D

H

K

A

A

T

L

H

K

F

L

K

A

R

S

H

A

A

L

Q

E

A

S

G

G

M

T

V

V

M

W

V

I

N

N

L

C

P

Y

T

N

A

A

G

-

V
x
L

D

Y

Y

A

H

Q

V

A

P

P

F

F

G

G

R

F

K

K

S

M

S

S

S

G

Y

N

G

G

P

-

R

R

E
|
E

Q

L

G

G

R

E

Y

Y

A

A

A

L

E

A

F

E

Y

Y

T

T

T

E

V

V

K

K

T

T

active site: N163 (= N180), K186 (= K203), E262 (= E278), C296 (= C312), E393 (= E414), E470 (= E493)
binding nicotinamide-adenine-dinucleotide: I159 (= I176), T160 (= T177), W162 (= W179), K186 (= K203), E189 (= E206), G219 (= G236), G223 (= G240), F237 (= F254), G239 (= G256), S240 (= S257), T241 (≠ V258), V243 (≠ T260), G264 (= G280), Q343 (= Q359), E393 (= E414)
binding retinoic acid: G118 (≠ R134), R121 (≠ A137), F164 (= F181), M168 (≠ I185), W171 (= W188), C295 (≠ R311), C296 (= C312), L453 (≠ V475)

P47895 Retinaldehyde dehydrogenase 3; RALDH-3; RalDH3; Aldehyde dehydrogenase 6; Aldehyde dehydrogenase family 1 member A3; ALDH1A3; EC 1.2.1.36 from Homo sapiens (Human) (see 2 papers)
38% identity, 92% coverage: 38:507/512 of query aligns to 35:502/512 of P47895

query
sites
P47895

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R89 (≠ Q94) to C: in MCOP8; does not affect ALDH1A3 expression; results in strongly reduced protein levels; dbSNP:rs397514652
K204 (= K203) binding
E207 (= E206) binding
GSTEVG 257:262 (≠ GSVGTG 256:261) binding
Q361 (= Q359) binding
E411 (= E414) binding
A493 (= A498) to P: in MCOP8; does not affect ALDH1A3 expression; results in strongly reduced protein levels; dbSNP:rs397514653

Sites not aligning to the query:

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

7qk9A Crystal structure of the aldh1a3-atp complex (see paper)
38% identity, 92% coverage: 38:507/512 of query aligns to 16:483/489 of 7qk9A

query
sites
7qk9A

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binding adenosine-5'-triphosphate: I158 (= I176), T159 (= T177), P160 (= P178), W161 (= W179), K185 (= K203), E188 (= E206), G218 (= G236), G222 (= G240), F236 (= F254), S239 (= S257), V242 (≠ T260)

O24174 Betaine aldehyde dehydrogenase 1; OsBADH1; EC 1.2.1.8 from Oryza sativa subsp. japonica (Rice) (see paper)
35% identity, 92% coverage: 38:506/512 of query aligns to 13:485/505 of O24174

query
sites
O24174

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W

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H

A

D

K

R

R

F

F

V

L

A

D

A

R

M

L

V

V

E

A

K

W

M

A

K

K

T

S

L

I

K

K

V

I

D

S

D

D

A

P

R

L

K

E

A

E

G

G

T

C

D

R

I

L

G

G

P

S

V

V

D

S

D

E

R

G

Q

Q

L

Y

A

Q

Q

K

D

I

L

M

E

K

Y

F

I

I

G

S

I

T

G

A

Q

R

Q

C

E

E

G

G

A

A

K

T

L

I

A

L

Y

Y

G

G

-

A

-

R

-

P

E

Q

A

H

L

L

E

K

K

R

N

-

A

-

D

-

G

-

A

-

P

-

G

G

F

F

Y

F

L

I

R

E

P

P

A

T

L

I

F

I

T

T

E

N

T

V

T

S

P

T

G

S

M

M

R

Q

I

I

N

W

R

R

E

E

I

V

F

F

G

G

P

P

V

V

V

I

S

C

V

V

L

K

R

E

A

F

K

R

N

T

Y

E

E

R

E

E

A

A

L

V

A

E

L

L

A

A

N

N

D

D

T

T

P

H

F

Y

G

G

L

L

A

A

S

G

G

A

I

V

A

I

T

S

T

N

S

D

L

L

K

E

H

R

A

C

T

E

H

R

F

I

K

S

R

K

H

A

A

I

Q

Q

A

S

G

G

M

I

V

V

M

W

V

I

N

N

L

C

P

-

T

S

A

Q

G

P

V

C

D

F

Y

V

H

Q

V

A

P

P

F

W

G

G

R

N

K

K

S

R

S

S

S

G

Y

F

G

G

P

-

R

R

E

E

Q

L

G

G

R

Q

Y

W

A

G

A

L

E

D

F

N

Y

Y

T

L

T

S

V

V

K

K

N164 (= N180) 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 (= W188) 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.

6fkuA Structure and function of aldehyde dehydrogenase from thermus thermophilus: an enzyme with an evolutionarily-distinct c-terminal arm (recombinant protein with shortened c-terminal, in complex with NADP) (see paper)
36% identity, 93% coverage: 29:503/512 of query aligns to 8:493/511 of 6fkuA

query
sites
6fkuA

H

Y

T

G

T

N

T

T

A

L

M

E

H

F

A

G

N

H

L

L

I

V

G

G

A

E

W

E

T

V

D

L

G

E

V

G

R

P

T

L

Y

L

Q

E

N

R

T

R

N

N

P

P

S

S

D

D

T

R

R

E

D

D

V

V

I

V

G

A

D

R

Y

F

A

P

V

E

A

A

S

D

R

K

E

D

Q

L

A

V

L

R

D

K

A

A

V

A

A

L

A

K

A

A

H

R

A

E

A

A

F

F

P

A

A

E

W

W

S

S

L

R

S

T

T

P

P

A

Q

P

Q

I

R

R

F

G

D

Q

I

V

L

L

D

F

A

N

V

L

G

V

N

K

E

I

I

L

I

E

A

R

R

E

K

K

A

P

E

T

L

L

G

T

D

R

L

L

L

M

A

V

R

R

E

E

E

V

G

G

K

K

T

T

L

P

P

K

E

E

A

A

I

A

G

G

E

D

V

V

G

Q

R

E

A

A

A

I

A

D

I

T

F

A

K

L

F

F

A

A

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S

E

E

A

G

L

R

R

R

P

L

G

Y

G

G

E

Q

V

T

M

V

P

P

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S

V

E

R

M

P

R

G

D

V

K

G

E

I

L

E

F

I

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T

F

R

R

E

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P

P

L

L

G

G

T

V

I

V

G

G

I

I

I
|
I

T
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T

P

A

W

G

N
|
N

F

F

P

P

I

I

A

A

I

V

P

P

A

S

W

W

K

K

I

L

A

I

P

P

A

A

L

V

A

L

Y

T

G

G

N

N

C

T

V

V

F

W

K
|
K

P

P

A
x
S

E
|
E

V

D

V

A

P

P

G

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L

A

S

W

F

A

V

L

F

A

A

D

K

I

L

L

F

H

E

R

E

A

A

G

G

L

L

P

P

A

P

G

G

V

V

F

L

N

N

L

V

V

V

M

F

G

G

R
x
G

G
|
G

S
x
K

-

G

D

S

V

T

G
|
G

A
x
Q

V

W

L

M

L

V

E

E

-

L

-

M

D

D

E

E

R

G

I

L

-

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A

Q

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V

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A

F
|
F

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T

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G

S
|
S

V

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T
x
V

G

G

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W

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I

A

G

A

E

A

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C

A

V

G

P

R

R

N

G

L

A

I

K

R

V

P

Q

T

L

L

E
|
E

M
x
L

G

G

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K

N

N

P

P

F

L

V

V

L

M

D

R

D

D

A

A

D

D

L

L

N

D

V

L

A

A

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V

G

E

A

G

A

A

I

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W

S

S

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F

F

A

S

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T

G

G

G

Q

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C
|
C

T

T

A

S

S

A

S

G

R

N

V

I

I

L

V

V

T

D

E

A

G

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Y

D

E

R

E

F

F

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K

A

R

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L

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K

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M

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K

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-

A

T

T

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A

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R

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x
F

L

F

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A

Q

R

D

W

L

Q

E

E

Y

H

I

Y

G

R

I

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G

G

Q

E

Q

A

E

E

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G

A

A

K

R

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L

A

L

Y

F

G

G

-

R

G

G

E

R

A

I

L

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E

R

K

E

N

N

-

P

-

Y

-

P

-

R

-

F

-

L

A

G

D

D

G

P

A

E

P

A

G

G

F

L

Y

Y

L

G

R

W

P

P

A

T

L

V

F

W

T

-

E

E

T

V

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R

P

P

G

G

M

T

R

R

I

L

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F

R

T

E

E

E
|
E

I

V

F
|
F

G

G

P

P

V

T

V

I

S

N

V

L

L

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R

K

A

V

K

D

N

G

Y

I

E

E

A

A

L

I

A

A

L

V

A

A

N

N

D

S

T

T

P

P

F

Y

G

G

L

L

A

S

S

S

G

A

I

I

A

Y

T

T

T

N

S

H

L

R

K

H

H

W

A

A

T

Y

H

L

F

F

K

K

R

V

H

G

A

I

Q

R

A

A

G

G

M

M

V

T

M

S

V

I

N

N

L

N

P

A

T

T

A

V

G

G

V

A

D

E

Y

A

H

H

V

L

P

P

F

F

G

G

R

V

K

K

S

A

S

S

S

G

Y

N

G

G

P

G

R

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E
|
E

Q

S

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G

R

I

Y

W

A

V

A

L

E

E

F

E

Y

Y

T

T

active site: N159 (= N180), E261 (= E278), C295 (= C312), E483 (= E493)
binding nadp nicotinamide-adenine-dinucleotide phosphate: I155 (= I176), T156 (= T177), N159 (= N180), K182 (= K203), S184 (≠ A205), E185 (= E206), G214 (≠ R235), G215 (= G236), K216 (≠ S237), G220 (= G240), Q221 (≠ A241), F237 (= F254), T238 (= T255), G239 (= G256), S240 (= S257), V243 (≠ T260), E261 (= E278), L262 (≠ M279), C295 (= C312), R342 (= R358), F343 (≠ Q359), E404 (= E414), F406 (= F416)

6tgwA Crystal structure of human aldehyde dehydrogenase 1a3 in complex with a selective inhibitor (see paper)
37% identity, 92% coverage: 38:507/512 of query aligns to 9:473/478 of 6tgwA

query
sites
6tgwA

L

F

I

I

G

N

A

E

W

W

T

H

D

E

G

S

V

K

-

S

-

G

R

K

T

K

Y

F

Q

A

N

T

T

C

N

N

P

P

S

S

D

-

T

T

R

R

D

E

V

Q

I

I

G

C

D

E

Y

V

A

E

V

E

A

G

S

D

R

K

E

P

Q

D

A

V

L

D

D

K

A

A

V

V

A

E

A

A

H

Q

A

V

A

A

F

F

P

-

A

-

W

-

S

Q

L

R

S

G

T

S

P

P

Q

W

Q

R

R

R

F

L

D

D

-

A

-

L

-

S

-

R

-

G

-

R

I

L

L

L

D

H

A

Q

V

L

G

A

N

D

E

L

I

V

I

E

A

R

R

D

K

R

A

A

E

T

L

L

G

A

D

A

L

L

L

E

A

T

R

M

E

D

E

T

G

G

K

K

T

P

L

F

P

L

E

H

A

A

I

F

G

F

-
x
I

E

D

V

L

G

E

R
x
G

A

C

A

I

A

R

I

T

F

L

K

R

F

Y

F

F

A

A

G

G

E

W

A

A

L

D

R

K

P

I

G

Q

G

G

E

K

V

T

M

I

P

P

S

T

V

-

R

D

P

D

G

N

V

V

G

V

I

C

E

F

I

T

T

R

R

H

E

E

P

P

L

I

G

G

T

V

I

C

G

G

I

A

I
|
I

T
|
T

P
|
P

W
|
W

N
|
N

F
|
F

P

P

I

L

A

L

I

M

P

L

A

V

W

W

K

K

I

L

A

A

P

P

A

A

L

L

A

C

Y

C

G

G

N

N

C

T

V

M

V

V

F

L

K
|
K

P

P

A

A

E

E

V

Q

V

T

P

P

G

L

S

T

A

A

W

L

A

Y

L

L

A

G

D

S

I

L

L

I

H

K

R

E

A

A

G

G

L

F

P

P

A

P

G

G

V

V

F

V

N

N

L

I

V

V

M

P

G

G

R

F

G
|
G

S

P

D

T

V

V

G
|
G

A

A

V

A

L

I

L

S

E

S

D

H

E

P

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Q

I

I

A

N

G

K

V

I

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A

F
|
F

T

T

G
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G

S
|
S

V

T

G

E

T
x
V

G

G

Q

K

R

L

V

V

A

K

-

E

A

A

C

S

V

R

P

S

R

N

G

L

A

K

K

R

V

V

Q

T

L

L

E
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E

M

L

G

G

K

K

N

N

P

P

F

C

V

I

V

V

L

C

D

A

D

D

A

A

D

D

L

L

N

D

V

L

A

A

V

V

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E

A

C

A

A

I

H

N
x
Q

S

G

G

V

F

F

F
|
F

S

N

T

Q

G

G

Q

Q

R

C

C
|
C

T

T

A

A

S

A

S

S

R

R

V

V

I

F

V

V

T

E

E

E

G

Q

I

V

H

Y

D

S

R

E

F

F

V

V

A

R

M

S

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V

E

E

K

Y

M

A

K

K

T

K

L

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V

D

G

D

D

A

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R

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K

D

A

V

G

K

T

T

D

E

I

Q

G

G

P

P

V

Q

V

I

D

D

D

Q

R

K

Q

Q

L

F

A

D

Q

K

D

I

L

L

E

E

Y

L

I

I

G

E

I

S

G

G

Q

K

E

E

G

G

A

A

K

K

L

L

A

E

Y

C

G

G

E

S

A

A

L

M

E

-

K

-

N

-

A

-

D

-

G

-

A

-

P

-

G

G

F

L

Y

F

L

I

R

K

P

P

A

T

L

V

F

F

T

S

E

E

T

V

T

T

P

D

G

N

M

M

R

R

I

I

N

A

R

K

E

E

I

I

F

F

G

G

P

P

V

V

V

Q

S

P

V

I

L

L

R

K

A

F

K

K

N

S

Y

I

E

E

A

V

L

I

A

K

L

R

A

A

N

N

D

S

T

T

P

D

F

Y

G

G

L

L

A

T

S

A

G

A

I

V

A

F

T

T

T

K

S

N

L

L

K

D

H

K

A

A

T

L

H

K

F

L

K

A

R

S

H

A

A

L

Q

E

A

S

G

G

M

T

V

V

M

W

V

I

N

N

L

C

P

Y

T

N

A

A

G

-

V
x
L

D

Y

Y
x
A

H

Q

V

A

P

P

F

F

G

G

R

F

K

K

S

M

S

S

S

G

Y

N

G

G

P

-

R

R

E
|
E

Q

L

G

G

R

E

Y

Y

A

A

A

L

E

A

F

E

Y

Y

T

T

T

E

V

V

K

K

T

T

active site: N155 (= N180), E254 (= E278), C288 (= C312), E459 (= E493)
binding methyl 5-(1,3-benzodioxol-5-yl)-2-phenyl-pyrazolo[1,5-a]pyrimidine-7-carboxylate: I106 (vs. gap), G110 (≠ R134), F156 (= F181), Q278 (≠ N302), F282 (= F306), L442 (≠ V475), A444 (≠ Y477)
binding nicotinamide-adenine-dinucleotide: I151 (= I176), T152 (= T177), P153 (= P178), W154 (= W179), K178 (= K203), G211 (= G236), G215 (= G240), F229 (= F254), G231 (= G256), S232 (= S257), V235 (≠ T260)

4go2A Crystal structure of thE C-terminal domain of 10'formyltetrahydrofolate dehydrogenase in complex with thio-NADP (see paper)
35% identity, 92% coverage: 38:507/512 of query aligns to 21:493/498 of 4go2A

query
sites
4go2A

L

F

I

I

G

G

A

E

W

F

T

V

D

D

-

A

-

E

G

G

V

S

R

K

T

T

Y

Y

Q

N

N

T

T

I

N

N

P

P

S

T

D

D

T

G

R

-

D

S

V

V

I

I

G

C

D

Q

Y

V

A

S

V

L

A

A

S

Q

R

V

E

S

Q

D

A

V

L

D

D

K

A

A

V

V

A

A

H

K

A

E

A

A

F

F

P

E

-

N

-

G

A

L

W

W

S

G

L

K

S

I

T

N

P

A

Q

R

Q

D

R

R

F

G

D

R

I

L

L

L

D

Y

A

R

V

L

G

A

N

D

E

V

I

M

I

E

A

Q

R

H

K

Q

A

E

E

E

L

L

G

A

D

T

L

I

L

E

A

A

R

L

E

D

E

A

G

G

K

A

T

V

L

Y

P

T

E

L

A

A

I

L

G

K

-

T

E

H

V

V

G

G

R

M

A

S

A

I

A

Q

I

T

F

F

K

R

F

Y

F

F

A

A

G

G

E

W

A

C

L

D

R

K

P

I

G

Q

G

G

E

A

V

T

M

I

P

P

-

I

-

N

S

Q

V

A

R

R

P

P

G

N

V

R

G

N

I

L

E

T

I

L

T

T

R

K

-

K

E

E

P

P

L

V

G

G

T

V

I

C

G

G

I

I

I
x
V

T
x
I

P
|
P

W
|
W

N
|
N

F

Y

P

P

I

L

A

M

I

M

P

L

A

S

W

W

K

K

I

T

A

A

P

A

A

C

L

L

A

A

Y

A

G

G

N

N

C

T

V

V

F

I

K
|
K

P

P

A
|
A

E
x
Q

V

V

V

T

P

P

G

L

S

T

A

A

W

L

A

K

L

F

A

A

D

E

I

L

L

T

H

L

R

K

A

A

G

G

L

I

P

P

A

K

G

G

V

V

F

V

N

N

L

I

V

L

M

P

G

G

R
x
S

G
|
G

S

S

D

L

V

V

G
|
G

A
x
Q

V

R

L

L

L

S

E

D

D

H

E

P

R

D

I

V

A

R

G

K

V

I

S

G

F
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F

T

T

G
|
G

S
|
S

V

T

G

E

T
x
V

G

G

Q

K

R

H

V
x
I

A

M

A

K

A

S

C

C

-

A

V

L

P

S

R

N

G

V

A

K

K

K

V

V

Q

S

L

L

E
|
E

M

L

G
|
G

G

G

K

K

N

S

P

P

F

L

V

I

L

F

D

A

D

D

A

C

D

D

L

L

N

N

V

K

A

A

V

V

G

Q

A

M

A

G

I

M

N

S

S

S

G

V

F

F

S

N

T

K

G

G

Q

E

R

N

C
|
C

T

I

A

A

S

A

S

G

R

R

V

L

I

F

V

V

T

E

E

E

G

S

I

I

H

H

D

N

R

Q

F

F

V

V

A

Q

A

K

M

V

V

V

E

E

K

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M

V

K

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T

K

L

M

K

K

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I

D

G

D

N

A

P

R

L

K

E

A

R

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D

T

T

D

N

I

H

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G

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P

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V

N

D

H

D

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R

A

Q

H

L

L

A

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K

D

L

L

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E

Y

Y

I

C

G

Q

I

R

G

G

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V

Q

K

E

E

G

G

A

A

K

T

L

L

A

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Y

C

G

G

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N

A

Q

L

V

E

P

K

R

N

-

A

-

D

-

G

-

A

-

P

P

G

G

F

F

Y

F

L

F

R

Q

P

P

A

T

L

V

F

F

T

T

E

D

T

V

T

E

P

D

G

H

M

M

R

Y

I

I

N

A

R

K

E

E

E
|
E

I

S

F
|
F

G

G

P

P

V

I

V

M

S

I

V

I

L

S

R

R

A

F

K

A

-

D

-

G

N

D

Y

V

E

D

E

A

A

V

L

L

A

S

L

R

A

A

N

N

D

A

T

T

P

E

F

F

G

G

L

L

A

A

S

S

G

G

I

V

A

F

T

T

T

R

S

D

L

I

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N

H

K

A

A

T

L

H

Y

F

V

K

S

R

D

H

K

A

L

Q

Q

A

A

G

G

M

T

V

V

M

F

V

I

N

N

L

T

P

Y

T

N

A

K

G

-

V

T

D

D

Y

V

H

A

V

A

P

P

F

F

G

G

R

F

K

K

S

Q

S

S

S

G

Y

F

G

G

P

-

R

K

E
x
D

Q

L

G

G

R

E

Y

A

A

A

A

L

E

N

F

E

Y

Y

T

L

T

R

V

I

K

K

T

T

active site: N170 (= N180), K193 (= K203), E269 (= E278), C303 (= C312), E400 (= E414), D479 (≠ E493)
binding 7-thionicotinamide-adenine-dinucleotide phosphate: V166 (≠ I176), I167 (≠ T177), P168 (= P178), W169 (= W179), K193 (= K203), A195 (= A205), Q196 (≠ E206), S225 (≠ R235), G226 (= G236), G230 (= G240), Q231 (≠ A241), F244 (= F254), G246 (= G256), S247 (= S257), V250 (≠ T260), I254 (≠ V264), E269 (= E278), G271 (= G280), C303 (= C312), E400 (= E414), F402 (= F416)

7rluA Structure of aldh1l1 (10-formyltetrahydrofolate dehydrogenase) in complex with NADP (see paper)
35% identity, 92% coverage: 38:507/512 of query aligns to 106:578/583 of 7rluA

query
sites
7rluA

L

F

I

I

G

G

A

E

W

F

T

V

D

D

-

A

-

E

G

G

V

S

R

K

T

T

Y

Y

Q

N

N

T

T

I

N

N

P

P

S

T

D

D

T

G

R

-

D

S

V

V

I

I

G

C

D

Q

Y

V

A

S

V

L

A

A

S

Q

R

V

E

S

Q

D

A

V

L

D

D

K

A

A

V

V

A

A

H

K

A

E

A

A

F

F

P

E

-

N

-

G

A

L

W

W

S

G

L

K

S

I

T

N

P

A

Q

R

Q

D

R

R

F

G

D

R

I

L

L

L

D

Y

A

R

V

L

G

A

N

D

E

V

I

M

I

E

A

Q

R

H

K

Q

A

E

E

E

L

L

G

A

D

T

L

I

L

E

A

A

R

L

E

D

E

A

G

G

K

A

T

V

L

Y

P

T

E

L

A

A

I

L

G
x
K

-

T

E

H

V

V

G

G

R

M

A

S

A

I

A

Q

I

T

F

F

K

R

F

Y

F

F

A

A

G

G

E

W

A

C

L

D

R

K

P

I

G

Q

G

G

E

A

V

T

M

I

P

P

-

I

-

N

S

Q

V

A

R

R

P

P

G

N

V

R

G

N

I

L

E

T

I

L

T

T

R

K

-

K

E

E

P

P

L

V

G

G

T

V

I

C

G

G

I

I

I

V

T

I

P

P

W

W

N

N

F

Y

P

P

I

L

A

M

I

M

P

L

A

S

W

W

K

K

I

T

A

A

P

A

A

C

L

L

A

A

Y

A

G

G

N

N

C

T

V

V

F

I

K
|
K

P

P

A

A

E

Q

V

V

V

T

P

P

G

L

S

T

A

A

W

L

A

K

L

F

A

A

D

E

I

L

L

T

H

L

R

K

A

A

G

G

L

I

P

P

A

K

G

G

V

V

F

V

N

N

L

I

V

L

M

P

G

G

R
x
S

G
|
G

S

S

D

L

V

V

G
|
G

A

Q

V

R

L

L

L

S

E

D

D

H

E

P

R

D

I

V

A

R

G

K

V

I

S

G

F

F

T

T

G
|
G

S
|
S

V

T

G

E

T
x
V

G

G

Q

K

R

H

V

I

A

M

A

K

A

S

C

C

-

A

V

L

P

S

R

N

G

V

A

K

K

K

V

V

Q

S

L

L

E

E

M

L

G

G

K

K

N

S

P

P

F

L

V

I

L

F

D

A

D

D

A

C

D

D

L

L

N

N

V

K

A

A

V

V

G

Q

A

M

A

G

I

M

N

S

S

S

G

V

F

F

F
|
F

S

N

T

K

G

G

Q

E

R
x
N

C
|
C

T

I

A

A

S

A

S

G

R

R

V

L

I

F

V

V

T

E

E

E

G

S

I

I

H

H

D

N

R

Q

F

F

V

V

A

Q

A

K

M

V

V

V

E

E

K

E

M

V

K

E

T

K

L

M

K

K

V

I

D

G

D

N

A

P

R

L

K

E

A

R

G

D

T

T

D

N

I

H

G

G

P

P

V

Q

V

N

D

H

D

E

R

A

Q

H

L

L

A

R

Q

K

D

L

L

V

E

E

Y

Y

I

C

G

Q

I

R

G

G

Q

V

Q

K

E

E

G

G

A

A

K

T

L

L

A

V

Y

C

G

G

E

N

A

Q

L

V

E

P

K

R

N

-

A

-

D

-

G

-

A

-

P

P

G

G

F

F

Y

F

L

F

R

Q

P

P

A

T

L

V

F

F

T

T

E

D

T

V

T

E

P

D

G

H

M

M

R

Y

I

I

N

A

R

K

E

E

I

S

F

F

G

G

P

P

V

I

V

M

S

I

V

I

L

S

R

R

A

F

K

A

-

D

-

G

N

D

Y

V

E

D

E

A

A

V

L

L

A

S

L

R

A

A

N

N

D

A

T

T

P

E

F

F

G

G

L

L

A

A

S

S

G

G

I

V

A

F

T

T

T

R

S

D

L

I

K

N

H

K

A

A

T

L

H

Y

F

V

K

S

R

D

H

K

A

L

Q

Q

A

A

G

G

M

T

V

V

M

F

V

I

N

N

L

T

P

Y

T
x
N

A

K

G

-

V

T

D

D

Y

V

H

A

V

A

P

P

F

F

G

G

R

F

K

K

S

Q

S

S

S

G

Y

F

G

G

P

-

R

K

E

D

Q

L

G

G

R

E

Y

A

A

A

A

L

E

N

F

E

Y

Y

T

L

T

R

V

I

K

K

T

T

binding nadp nicotinamide-adenine-dinucleotide phosphate: K278 (= K203), S310 (≠ R235), G311 (= G236), G315 (= G240), G331 (= G256), S332 (= S257), V335 (≠ T260)
binding 4'-phosphopantetheine: K201 (≠ G130), F382 (= F306), N387 (≠ R311), C388 (= C312), N545 (≠ T472)

Query Sequence

>Ac3H11_3961 Aldehyde dehydrogenase B (EC 1.2.1.22)
LLAPWHPTLRAGCALARYGLCSDFFNPPHTTTAMHANLIGGAWTDGVRTYQNTNPSDTRD
VIGDYAVASREQALDAVAAAHAAFPAWSLSTPQQRFDILDAVGNEIIARKAELGDLLARE
EGKTLPEAIGEVGRAAAIFKFFAGEALRPGGEVMPSVRPGVGIEITREPLGTIGIITPWN
FPIAIPAWKIAPALAYGNCVVFKPAEVVPGSAWALADILHRAGLPAGVFNLVMGRGSDVG
AVLLEDERIAGVSFTGSVGTGQRVAAACVPRGAKVQLEMGGKNPFVVLDDADLNVAVGAA
INSGFFSTGQRCTASSRVIVTEGIHDRFVAAMVEKMKTLKVDDARKAGTDIGPVVDDRQL
AQDLEYIGIGQQEGAKLAYGGEALEKNADGAPGFYLRPALFTETTPGMRINREEIFGPVV
SVLRAKNYEEALALANDTPFGLASGIATTSLKHATHFKRHAQAGMVMVNLPTAGVDYHVP
FGGRKSSSYGPREQGRYAAEFYTTVKTAYTQA

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