SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing Pf6N2E2_225 FitnessBrowser__pseudo6_N2E2:Pf6N2E2_225 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)

Q8NMB0 Vanillin dehydrogenase; Aromatic aldehyde dehydrogenase; EC 1.2.1.67; EC 1.2.1.64; EC 1.2.1.96 from Corynebacterium glutamicum (strain ATCC 13032 / DSM 20300 / BCRC 11384 / JCM 1318 / LMG 3730 / NCIMB 10025) (see paper)
54% identity, 95% coverage: 15:481/492 of query aligns to 13:479/484 of Q8NMB0

query
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Q8NMB0

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N157 (= N159) mutation to A: Less than 50% of the activity of the wild-type with vanillin as substrate in the presence of NAD(+). Less than 10% of the activity of the wild-type with vanillin as substrate in the presence of NADP(+). 4.5-fold decreased affinity for NAD(+), 11-fold decreased affinity for NADP(+) and 2.3-fold decreased affinity for vanillin compared to the wild type.
K180 (= K182) mutation to A: Less than 50% of the activity of the wild-type with vanillin as substrate in the presence of NAD(+). Less than 10% of the activity of the wild-type with vanillin as substrate in the presence of NADP(+). 4.5-fold decreased affinity for NAD(+), 11-fold decreased affinity for NADP(+) and 5-fold decreased affinity for vanillin compared to the wild type.
E199 (= E201) mutation to A: Less than 50% of the activity of the wild-type with vanillin as substrate in the presence of NAD(+). 78% of the activity of the wild-type with vanillin as substrate in the presence of NADP(+). 5-fold decreased affinity for NAD(+), 2.5-fold decreased affinity for NADP(+) and 1.5-fold decreased affinity for vanillin compared to the wild type.
E258 (= E260) mutation to A: Less than 50% of the activity of the wild-type with vanillin as substrate in the presence of NAD(+). 24% of the activity of the wild-type with vanillin as substrate in the presence of NADP(+). 3.5-fold decreased affinity for NAD(+), 5-fold decreased affinity for NADP(+) and 3.7-fold decreased affinity for vanillin compared to the wild type.
C292 (= C294) mutation to A: Less than 50% of the activity of the wild-type with vanillin as substrate in the presence of NAD(+). Less than 10% of the activity of the wild-type with vanillin as substrate in the presence of NADP(+). 4.5-fold decreased affinity for NAD(+), 7-fold decreased affinity for NADP(+) and 8-fold decreased affinity for vanillin compared to the wild type.

5ekcE Thermostable aldehyde dehydrogenase from pyrobaculum sp.1860 complexed with NADP+
37% identity, 97% coverage: 15:491/492 of query aligns to 10:484/490 of 5ekcE

query
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active site: N154 (= N159), K177 (= K182), E252 (= E260), C286 (= C294), E381 (= E388), E459 (≠ F466)
binding nadp nicotinamide-adenine-dinucleotide phosphate: I150 (= I155), T151 (≠ S156), P152 (= P157), W153 (= W158), K177 (= K182), S180 (= S185), G210 (= G216), G214 (= G220), F228 (= F234), G230 (= G236), E231 (≠ S237), T234 (≠ V240), N331 (= N338), R333 (≠ S340), Q334 (= Q341)

5ek6A Thermostable aldehyde dehydrogenase from pyrobaculum sp. 1860 complexed with NADP and isobutyraldehyde (see paper)
37% identity, 97% coverage: 15:491/492 of query aligns to 3:477/482 of 5ek6A

query
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L

L

E
|
E

L
|
L

G

G

N

S

A

D

P

P

L

L

V

I

L

L

D

D

A

V

D

D

I

V

D

D

V

Y

A

A

H

R

A

L

A

A

V

V

V

F

G

A

R

S

F

L

L

F

H

H

Q

Q

G

G

Q

Q

I

I

C
|
C

M

T

S

S

V

A

N

K

R

R

V

I

I

I

V

V

D

H

R

K

S

A

L

V

Y

A

A

D

D

K

F

F

A

I

S

E

L

R

V

Y

A

V

E

H

R

Y

V

V

R

K

N

M

L

L

K

R

T

I

G

D

D

D

P

P

T

R

K

K

A

D

D

E

T

K

V

V

-

D

I

L

G

G

P

P

V

L

V

I

N

N

Q

E

S

R

Q

Q

L

V

D

A

G

L

L

M

L

K

R

E

K

F

L

V

D

D

G

D

A

A

R

V

S

S

A

R

G

G

L

G

K

R

Q

L

L

L

C

I

G

G

P

R

A

S

S

W

G

G

L

N

V

F

L

F

P

E

A

P

H

A

V

I

F

F

G

V

E

D

V

V

G

D

A

R

D

N

Q

F

E

R

L

I

A

M

R

R

D

E

E
|
E

T

V

F

F

G

G

P

P

L

V

L

R

P

P

L

I

L

V

V

V

A

V

E

E

N

N

E

D

T

D

H

Q

A

A

L

V

A

E

L

V

A

A

N

N

A

D

S

T

E

D

Y

Y

G

G

L

L

S

S

S

G

A

A

V

V

F

L

T

T

R

N

D

N

M

V

A

N

R

R

G

A

L

F

N

R

F

I

A

A

R

E

G

A

I

V

V

E

A

S

G

G

M

M

T

F

H

H

I

I

N

N

D

D

I

V

T

T

V

F

D

L

D

E

Q

E

P

S

N

H

A

V

P

P

F
|
F

G

G

E

I

K

K

N

A

S

S

G

G

L

V

G

G

R

R

F
x
E

N

G

G

G

H

E

Y

W

A

S

L

F

D

H

E

E

F

T

T

T

R

Y

A

D

H

R

W

W

V

V

T

T

W

V

Q

T

P

L

G

R

G

T

H

R

Y

F

P

P

active site: N147 (= N159), K170 (= K182), E245 (= E260), C279 (= C294), E374 (= E388), E452 (≠ F466)
binding 2-methylpropanal: I152 (≠ L164), K155 (≠ R167), T222 (= T235), E245 (= E260), F441 (= F455)
binding nadp nicotinamide-adenine-dinucleotide phosphate: I143 (= I155), T144 (≠ S156), W146 (= W158), N147 (= N159), I152 (≠ L164), K170 (= K182), A172 (= A184), S173 (= S185), P202 (≠ A215), G203 (= G216), G207 (= G220), F221 (= F234), T222 (= T235), G223 (= G236), E224 (≠ S237), T227 (≠ V240), I231 (≠ V244), E245 (= E260), L246 (= L261), C279 (= C294), E374 (= E388)

4h73A Thermostable aldehyde dehydrogenase from pyrobaculum sp. Complexed with NADP+
37% identity, 97% coverage: 15:491/492 of query aligns to 3:477/482 of 4h73A

query
sites
4h73A

Q

N

Y

Y

I

I

N

N

G

G

T

E

W

F

R

K

A

E

G

P

R

S

S

T

A

G

R

A

R

F

L

Q

D

V

D

K

R

T

N

S

P

P

F

V

N

D

G

G

E

S

Q

K

L

I

L

A

E

E

M

V

P

P

L

R

A

S

S

G

I

R

A

E

D

D

L

A

D

R

D

E

A

A

Y

I

Q

D

A

S

A

A

Q

F

K

E

A

A

Q

L

A

K

A

A

W

W

A

A

Q

N

L

I

H

P

P

A

T

I

Q

R

R

R

G

A

A

E

Q

Y

L

L

E

Y

K

K

L

M

A

L

Q

E

V

V

I

F

Q

R

N

Q

R

M

R

K

E

E

E

D

I

F

I

M

D

K

W

I

L

L

I

T

H

V

E

E

S

G

G

G

S

G

T

T

R

Y

I

R

K

K

A

V

S

W

M

G

E

E

W

V

Q

V

F

F

T

T

L

E

N

R

L

L

V

I

R

Q

E

N

C

A

T

A

T

E

M

L

P

A

M

R

Q

H

V

Y

E

Q

G

G

R

R

I

V

L

L

T

Q

S

S

Y

D

K

S

P

E

G

S

E

T

Q

I

S

S

F

V

V

V

F

F

R

K

E

R

P

S

L

K

G

G

V

V

G

G

V

V

I
|
I

S
x
T

P
|
P

W
|
W

N
|
N

F

Y

P

P

L

L

Y

S

L

I

S

S

M

M

R

K

S

K

V

I

V

A

P

H

A

T

L

L

A

A

L

V

G

G

N

N

T

T

I

V

V

V

L

Y

K
|
K

P

P

A
|
A

S
|
S

D

D

T

T

A

P

V

V

T

T

G

-

G

G

L

W

L

L

I

I

A

A

H

Q

L

M

F

V

E

A

E

K

A

A

G

G

F

L

P

P

E

K

G

G

S

V

L

F

N

N

V

L

V

V

V

I

G

G

A

P

G
|
G

S

P

E

V

I

V

G
|
G

D

E

A

E

F

I

V

V

E

T

H

H

P

K

V

R

P

V

S

A

L

H

I

V

S

T

F
|
F

T

T

G
|
G

S
x
E

T

S

D

S

V
x
T

G

G

R

R

N

E

V

I

G

A

R

A

I

K

A

A

T

A

G

G

G

-

K

-

H

T

I

L

K

K

R

T

V

V

A

T

L

L

E
|
E

L

L

G

G

N

S

A

D

P

P

L

L

V

I

L

L

D

D

A

V

D

D

I

V

D

D

V

Y

A

A

H

R

A

L

A

A

V

V

V

F

G

A

R

S

F

L

L

F

H

H

Q

Q

G

G

Q

Q

I

I

C
|
C

M

T

S

S

V

A

N

K

R

R

V

I

I

I

V

V

D

H

R

K

S

A

L

V

Y

A

A

D

D

K

F

F

A

I

S

E

L

R

V

Y

A

V

E

H

R

Y

V

V

R

K

N

M

L

L

K

R

T

I

G

D

D

D

P

P

T

R

K

K

A

D

D

E

T

K

V

V

-

D

I

L

G

G

P

P

V

L

V

I

N

N

Q

E

S

R

Q

Q

L

V

D

A

G

L

L

M

L

K

R

E

K

F

L

V

D

D

G

D

A

A

R

V

S

S

A

R

G

G

L

G

K

R

Q

L

L

L

C

I

G

G

P

R

A

S

S

W

G

G

L

N

V

F

L

F

P

E

A

P

H

A

V

I

F

F

G

V

E

D

V

V

G

D

A

R

D

N

Q

F

E

R

L

I

A

M

R

R

D

E

E
|
E

T

V

F

F

G

G

P

P

L

V

L

R

P

P

L

I

L

V

V

V

A

V

E

E

N

N

E

D

T

D

H

Q

A

A

L

V

A

E

L

V

A

A

N

N

A

D

S

T

E

D

Y

Y

G

G

L

L

S

S

S

G

A

A

V

V

F

L

T

T

R

N

D

N

M

V

A

N

R

R

G

A

L

F

N

R

F

I

A

A

R

E

G

A

I

V

V

E

A

S

G

G

M

M

T

F

H

H

I

I

N

N

D

D

I

V

T

T

V

F

D

L

D

E

Q

E

P

S

N

H

A

V

P

P

F

F

G

G

E

I

K

K

N

A

S

S

G

G

L

V

G

G

R

R

F
x
E

N

G

G

G

H

E

Y

W

A

S

L

F

D

H

E

E

F

T

T

T

R

Y

A

D

H

R

W

W

V

V

T

T

W

V

Q

T

P

L

G

R

G

T

H

R

Y

F

P

P

active site: N147 (= N159), K170 (= K182), E245 (= E260), C279 (= C294), E374 (= E388), E452 (≠ F466)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: I143 (= I155), T144 (≠ S156), P145 (= P157), W146 (= W158), K170 (= K182), A172 (= A184), S173 (= S185), G203 (= G216), G207 (= G220), F221 (= F234), G223 (= G236), E224 (≠ S237), T227 (≠ V240)

4jz6A Crystal structure of a salicylaldehyde dehydrogenase from pseudomonas putida g7 complexed with salicylaldehyde (see paper)
37% identity, 97% coverage: 16:492/492 of query aligns to 7:484/484 of 4jz6A

query
sites
4jz6A

Y

F

I

I

N

N

G

N

T

A

W

W

R

I

A

D

G

S

R

S

S

D

A

Q

R

Q

R

T

L

F

D

E

D

R

R

K

N

H

P

P

F

V

N

S

G

S

E

E

Q

V

L

M

L

T

E

E

M

S

P

A

L

N

A

A

S

T

I

V

A

T

D

D

L

A

D

I

D

K

A

A

Y

A

Q

Q

A

A

Q

E

K

E

A

A

Q

F

A

K

A

T

W

W

A

K

Q

D

L

V

H

G

P

P

T

S

Q

E

R

R

G

R

A

R

Q

L

L

L

E

L

K

K

L

V

A

A

Q

D

V

V

I

M

Q

E

N

S

R

K

R

T

E

P

E

K

I

F

I

I

D

E

W

V

L

M

I

A

H

M

E

E

S

V

G

G

S

A

T

S

R

A

I

L

K
x
W

A

A

S

G

M

F

E

N

W

V

Q

H

F

A

T

S

L

A

N

N

L

V

V

F

R

R

E

E

C

A

T

A

T

S

M

L

P

A

M

T

Q

Q

V

I

E

Q

G

G

R

E

I

T

L

I

T

P

S

T

Y

D

K

K

P

A

G

E

E

T

Q

L

S

S

F

M

V

T

F

L

R

R

E

Q

P

P

L

V

G

G

V

P

V

I

G

L

V

S

I

I

S

V

P

P

W

W

N
|
N

F
x
G

P

T

L

A

Y
x
V

L

L

S

A

M

A

R

R

S

A

V

I

V

A

P

Y

A

P

L

L

A

V

L

C

G

G

N

N

T

T

I

V

V

V

L

F

K
|
K

P

G

A

S

S

E

D

F

T

S

A

P

V

A

T

T

G

H

G

A

L

L

L

-

I

I

A

T

H

Q

L

C

F

V

E

Q

E

E

A

A

G

G

F

L

P

P

E

A

G

G

S

V

L

L

N

N

V

Y

V

L

V

N

G

S

A

S

-

P

-

D

-

R

G

S

S

P

E

E

I

I

G

A

D

D

A

A

F

L

V

I

E

S

H

A

P

K

V

E

P

I

S

R

L

R

I

I

S

N

F

F

T

T

G

G

S

S

T

T

D

R

V

V

G

G

R

S

N

I

V

I

G

A

R

Q

I

K

A

A

T

-

G

-

G

A

K

Q

H

H

I

L

K

K

R
|
R

V
x
C

A

L

L

L

E
|
E

L

L

G

G

N

K

A

S

P

P

L

L

V

I

V

V

L

L

D

D

A

A

D

D

I

I

D

N

V

A

A

A

A

V

H

K

A

A

V

V

V

F

G

G

R

S

F

F

L

L

H

F

Q

Q

G

G

Q

Q

I
|
I

C
|
C

M
|
M

S

S

V

T

N

E

R

R

V

L

I

V

V

V

D

D

R

E

S

K

L

I

Y

A

A

D

D

E

F

F

A

V

S

A

L

R

V

F

A

V

E

E

R

K

V

T

R

E

N

R

L

L

K

S

T

V

G

G

D

D

P

P

T

C

-

L

K

T

A

G

D

D

T

C

V

I

I

I

G

G

P

P

V

M

V

V

N

S

Q

P

S

N

-

S

-

G

-

E

Q

R

L

I

D

N

G

G

L

L

L

F

R

K

K

D

L

-

D

-

G

-

A

A

R

I

S

D

A

K

G

G

L

A

K

K

Q

V

L

V

C

C

G

G

P

M

A

A

S

Q

G

G

L

A

V

V

L

M

P

P

A

A

H

T

V

I

F

L

G

D

E

H

V

V

G

K

A

S

D

D

Q

M

E

R

L

I

A

Y

R

D

D

E

E
|
E

T

T

F

F

G

G

P

P

L

I

L

T

P

V

L

V

L

I

V

R

A

C

E

K

N

G

E

E

T

A

H

E

A

A

L

I

A

R

L

I

A

A

N

N

A

D

S

S

E

V

Y

Y

G

G

L

L

S

S

A

G

V

V

F

F

T

G

R

R

D

D

M

I

A

N

R

R

G

A

L

L

N

R

F

V

A

G

R

M

G

S

I

I

V

E

A

Y

G

G

M

C

T

V

H

H

I

I

N

N

D

G

I

S

T

T

V

V

D

Q

D

N

Q

E

P

A

N

Q

A

A

P

P

F
x
Y

G

G

E

T

K

K

N

N

S

T

G

G

L
x
Y

G

G

R

R

F
|
F

N

D

G

G

H

R

Y

A

A

V

L

I

D

D

E

E

F

F

T

T

R

E

A

L

H

K

W

W

V

L

T

T

W

I

Q

E

P

P

G

F

G

E

H

Q

Y

Y

P

P

F

F

active site: N150 (= N159), K173 (= K182), E251 (= E260), C285 (= C294), E380 (= E388), F458 (= F466)
binding salicylaldehyde: W97 (≠ K106), G151 (≠ F160), V154 (≠ Y163), R247 (= R256), C248 (≠ V257), I284 (= I293), C285 (= C294), M286 (= M295), Y447 (≠ F455), Y455 (≠ L463)

6tgwA Crystal structure of human aldehyde dehydrogenase 1a3 in complex with a selective inhibitor (see paper)
36% identity, 95% coverage: 16:482/492 of query aligns to 9:475/478 of 6tgwA

query
sites
6tgwA

Y

F

I

I

N

N

G

N

T

E

W

W

R

H

A

E

G

S

R

K

S

S

A

G

R

K

L

F

D

A

D

T

R

C

N

N

P

P

F

S

N

T

G

R

E

E

Q

Q

L

I

L

C

E

E

M

V

P

E

L

E

A

G

S

D

I

K

A

P

D

D

L

V

D

D

D

K

A

A

Y

V

Q

E

A

A

Q

Q

K

V

A

A

-

F

-

Q

-

R

Q

G

A

S

A

P

W

W

A

R

Q

R

L

L

H

D

P

A

T

L

Q

S

R

R

G

G

A

R

Q

L

L

L

E

H

K

Q

L

L

A

A

Q

D

V

L

I

V

Q

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N

R

R

D

R

R

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A

E

T

I

L

I

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A

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L

L

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I

T

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G

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P

R

F

I

L

K

H

A

A

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F

-

F

M
x
I

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D

W

L

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x
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L

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G

V

V

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C

G

G

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A

I
|
I

S
x
T

P
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P

W
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W

N
|
N

F
|
F

P

P

L

L

Y

L

L

M

S

L

M

V

R

W

S

K

V

L

V

A

P

P

A

A

L

L

A

C

L

C

G

G

N

N

T

T

I

M

V

V

L

L

K
|
K

P

P

A

A

S

E

D

Q

T

T

A

P

V

L

T

T

G

A

G

-

L

L

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Y

I

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E

K

E

E

A

A

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L

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P

G

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A

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G
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G

S

P

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I

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G

D

A

A

A

F

I

V

S

E

S

H

H

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P

V

Q

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N

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I

I

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A

F
|
F

T

T

G
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G

S
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S

T

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V
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V

G

G

R

K

N

L

V

V

G

K

R

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I

A

A

A

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S

G

R

G

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K

-

H

N

I

L

K

K

R

R

V

V

A

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L

L

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|
E

L

L

G

G

N

K

A

N

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P

L

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I

V

V

L

C

D

A

D

D

A

A

D

D

I

L

D

D

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L

A

A

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H

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A

C

A

A

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H

V
x
Q

G

G

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V

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F

L
x
F

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N

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Q

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G

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Q

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C
|
C

M

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A

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A

N

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R

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V

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Y

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N

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G

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D

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K

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L

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C

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G

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A

A

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M

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G

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L

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L

I

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K

A

P

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V

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F

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E

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V

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T

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D

N

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A

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F

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G

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P

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A

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N

S

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I

T

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H

E

A

V

L

I

A

K

L

R

A

A

N

N

A

S

S

T

E

D

Y

Y

G

G

L

L

S

T

S

A

A

A

V

V

F

F

T

T

R

K

D

N

M

L

A

D

R

K

G

A

L

L

N

K

F

L

A

A

R

S

G

A

I

L

V

E

A

S

G

G

M

T

T

V

H

W

I

I

N

N

D

C

I

Y

T

N

V

A

D

-

D
x
L

Q

Y

P
x
A

N

Q

A

A

P

P

F

F

G

G

E

F

K

K

N

M

S

S

G

G

L

N

G

G

R

R

F
x
E

N

L

G

G

H

E

Y

Y

A

A

L

L

D

A

E

E

F

Y

T

T

R

E

A

V

H

K

W

T

V

V

T

T

active site: N155 (= N159), E254 (= E260), C288 (= C294), E459 (≠ F466)
binding methyl 5-(1,3-benzodioxol-5-yl)-2-phenyl-pyrazolo[1,5-a]pyrimidine-7-carboxylate: I106 (≠ M109), G110 (≠ F113), F156 (= F160), Q278 (≠ V284), F282 (≠ L288), L442 (≠ D449), A444 (≠ P451)
binding nicotinamide-adenine-dinucleotide: I151 (= I155), T152 (≠ S156), P153 (= P157), W154 (= W158), K178 (= K182), G211 (= G216), G215 (= G220), F229 (= F234), G231 (= G236), S232 (= S237), V235 (= V240)

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)
35% identity, 96% coverage: 16:489/492 of query aligns to 35:511/512 of P47895

query
sites
P47895

Y

F

I

I

N

N

G

N

T

E

W

W

R

H

A

E

G

S

R

K

S

S

A

G

R

K

L

F

D

A

D

T

R

C

N

N

P

P

F

S

N

T

G

R

E

E

Q

Q

L

I

L

C

E

E

M

V

P

E

L

E

A

G

S

D

I

K

A

P

D

D

L

V

D

D

D

K

A

A

Y

V

Q

E

A

A

Q

Q

K

V

A

A

-

F

-

Q

-

R

Q

G

A

S

A

P

W

W

A
x
R

Q

R

L

L

H

D

P

A

T

L

Q

S

R

R

G

G

A

R

Q

L

L

L

E

H

K

Q

L

L

A

A

Q

D

V

L

I

V

Q

E

N

R

R

D

R

R

E

A

E

T

I

L

I

A

D

A

W

L

L

E

I

T

H

M

E

D

S

T

G

G

S

K

T

P

R

F

I

L

K

H

A

A

S

F

-

F

M

I

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D

W

L

Q

E

F

G

T

C

L

I

N

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V

L

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Y

C

F

T

A

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G

M

W

P

A

M

D

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K

V

I

E

Q

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G

R

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L

I

T

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S

T

Y

-

K

D

P

D

G

N

E

V

Q

V

S

C

F

F

V

T

F

R

R

H

E

E

P

P

L

I

G

G

V

V

V

C

G

G

V

A

I

I

S

T

P

P

W

W

N

N

F

F

P

P

L

L

Y

L

L

M

S

L

M

V

R

W

S

K

V

L

V

A

P

P

A

A

L

L

A

C

L

C

G

G

N

N

T

T

I

M

V

V

L

L

K
|
K

P

P

A

A

S
x
E

D

Q

T

T

A

P

V

L

T

T

G

A

G

-

L

L

L

Y

I

L

A

G

H

S

L

L

F

I

E

K

E

E

A

A

G

G

F

F

P

P

E

P

G

G

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V

L

V

N

N

V

I

V

V

V

P

G

G

A

F

G

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E

T

I

V

G

G

D

A

A

A

F

I

V

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E

S

H

H

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P

V

Q

P

I

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N

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K

I

I

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A

F

F

T

T

G
|
G

S
|
S

T
|
T

D
x
E

V
|
V

G
|
G

R

K

N

L

V

V

G

K

R

E

I

A

A

A

T

S

G

R

G

S

K

-

H

N

I

L

K

K

R

R

V

V

A

T

L

L

E

E

L

L

G

G

N

K

A

N

P

P

L

C

V

I

V

V

L

C

D

A

D

D

A

A

D

D

I

L

D

D

V

L

A

A

A

V

H

E

A

C

A

A

V

H

V

Q

G

G

R

V

F

F

L

F

H

N

Q

Q

G

G

Q

Q

I

C

C

C

M

T

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A

V

A

N

S

R

R

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I

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D

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L

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Y

Y

A

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F

F

A

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R

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A

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Y

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D

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A

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D

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I

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G

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P

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I

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D

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|
Q

L

F

D

D

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K

L

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I

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E

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A

G

R

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K

A

E

G

G

L

A

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Q

L

L

E

C

C

G

G

P

S

A

A

-

M

-

E

-

D

S

K

G

G

L

L

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L

I

P

K

A

P

H

T

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V

F

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E

E

V

V

G

T

A

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D

N

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E

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I

A

A

R

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D

E

E
|
E

T

I

F

F

G

G

P

P

L

V

L

Q

P

P

L

I

L

L

V

K

A

F

E

K

N

S

E

I

T

E

H

E

A

V

L

I

A

K

L

R

A

A

N

N

A

S

S

T

E

D

Y

Y

G

G

L

L

S

T

S

A

A

A

V

V

F

F

T

T

R

K

D

N

M

L

A

D

R

K

G

A

L

L

N

K

F

L

A

A

R

S

G

A

I

L

V

E

A

S

G

G

M

T

T

V

H

W

I

I

N

N

D

C

I

Y

T

N

V

A

D

-

D

L

Q

Y

P

A

N

Q

A

A

P

P

F

F

G

G

E

F

K

K

N

M

S

S

G

G

L

N

G

G

R

R

F

E

N

L

G

G

H

E

Y

Y

A
|
A

L

L

D

A

E

E

F

Y

T

T

R

E

A

V

H

K

W

T

V

V

T

T

W

I

Q

K

P

L

G

G

G

D

H

K

H

N

R89 (≠ A67) to C: in MCOP8; does not affect ALDH1A3 expression; results in strongly reduced protein levels; dbSNP:rs397514652
K204 (= K182) binding
E207 (≠ S185) binding
GSTEVG 257:262 (≠ GSTDVG 236:241) binding
Q361 (= Q341) binding
E411 (= E388) binding
A493 (= A471) 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)
36% identity, 96% coverage: 16:486/492 of query aligns to 16:489/489 of 7qk9A

query
sites
7qk9A

Y

F

I

I

N

N

G

N

T

E

W

W

R

H

A

E

G

S

R

K

S

S

A

G

R

K

L

F

D

A

D

T

R

C

N

N

P

P

F

S

N

T

G

R

E

E

Q

Q

L

I

L

C

E

E

M

V

P

E

L

E

A

G

S

D

I

K

A

P

D

D

L

V

D

D

D

K

A

A

Y

V

Q

E

A

A

Q

Q

K

V

A

A

-

F

-

Q

-

R

Q

G

A

S

A

P

W

W

A

R

Q

R

L

L

H

D

P

A

T

L

Q

S

R

R

G

G

A

R

Q

L

L

L

E

H

K

Q

L

L

A

A

Q

D

V

L

I

V

Q

E

N

R

R

D

R

R

E

A

E

T

I

L

I

A

D

A

W

L

L

E

I

T

H

M

E

D

S

T

G

G

S

K

T

P

R

F

I

L

K

H

A

A

S

F

-

F

M

I

E

D

W

L

Q

E

F

G

T

C

L

I

N

R

L

T

V

L

R

R

E

Y

C

F

T

A

T

G

M

W

P

A

M

D

Q

K

V

I

E

Q

G

G

R

K

I

T

L

I

T

P

S

T

Y

-

K

D

P

D

G

N

E

V

Q

V

S

C

F

F

V

T

F

R

R

H

E

E

P

P

L

I

G

G

V

V

V

C

G

G

V

A

I
|
I

S
x
T

P
|
P

W
|
W

N

N

F

F

P

P

L

L

Y

L

L

M

S

L

M

V

R

W

S

K

V

L

V

A

P

P

A

A

L

L

A

C

L

C

G

G

N

N

T

T

I

M

V

V

L

L

K
|
K

P

P

A

A

S
x
E

D

Q

T

T

A

P

V

L

T

T

G

A

G

-

L

L

L

Y

I

L

A

G

H

S

L

L

F

I

E

K

E

E

A

A

G

G

F

F

P

P

E

P

G

G

S

V

L

V

N

N

V

I

V

V

V

P

G

G

A

F

G
|
G

S

P

E

T

I

V

G
|
G

D

A

A

A

F

I

V

S

E

S

H

H

P

P

V

Q

P

I

S

N

L

K

I

I

S

A

F
|
F

T

T

G

G

S
|
S

T

T

D

E

V
|
V

G

G

R

K

N

L

V

V

G

K

R

E

I

A

A

A

T

S

G

R

G

S

K

-

H

N

I

L

K

K

R

R

V

V

A

T

L

L

E

E

L

L

G

G

N

K

A

N

P

P

L

C

V

I

V

V

L

C

D

A

D

D

A

A

D

D

I

L

D

D

V

L

A

A

A

V

H

E

A

C

A

A

V

H

V

Q

G

G

R

V

F

F

L

F

H

N

Q

Q

G

G

Q

Q

I

C

C

C

M

T

S

A

V

A

N

S

R

R

V

V

I

F

V

V

D

E

R

E

S

Q

L

V

Y

Y

A

S

D

E

F

F

A

V

S

R

L

R

V

S

A

V

E

E

R

Y

V

A

R

K

N

K

L

R

K

P

T

V

G

G

D

D

P

P

T

F

K

D

A

V

D

K

T

T

V

E

I

Q

G

G

P

P

V

Q

V

I

N

D

Q

Q

S

K

Q

Q

L

F

D

D

G

K

L

I

L

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R

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K

L

L

I

D

E

G

S

A

G

R

K

S

K

A

E

G

G

L

A

K

K

Q

L

L

E

C

C

G

G

P

S

A

A

-

M

-

E

-

D

S

K

G

G

L

L

V

F

L

I

P

K

A

P

H

T

V

V

F

F

G

S

E

E

V

V

G

T

A

D

D

N

Q

M

E

R

L

I

A

A

R

K

D

E

E

E

T

I

F

F

G

G

P

P

L

V

L

Q

P

P

L

I

L

L

V

K

A

F

E

K

N

S

E

I

T

E

H

E

A

V

L

I

A

K

L

R

A

A

N

N

A

S

S

T

E

D

Y

Y

G

G

L

L

S

T

S

A

A

A

V

V

F

F

T

T

R

K

D

N

M

L

A

D

R

K

G

A

L

L

N

K

F

L

A

A

R

S

G

A

I

L

V

E

A

S

G

G

M

T

T

V

H

W

I

I

N

N

D

C

I

Y

T

N

V

A

D

-

D

L

Q

Y

P

A

N

Q

A

A

P

P

F

F

G

G

E

F

K

K

N

M

S

S

G

G

L

N

G

G

R

R

F

E

N

L

G

G

H

E

Y

Y

A

A

L

L

D

A

E

E

F

Y

T

T

R

E

A

V

H

K

W

T

V

V

T

T

W

I

Q

K

P

L

G

G

binding adenosine-5'-triphosphate: I158 (= I155), T159 (≠ S156), P160 (= P157), W161 (= W158), K185 (= K182), E188 (≠ S185), G218 (= G216), G222 (= G220), F236 (= F234), S239 (= S237), V242 (= V240)

7a6qB Crystal structure of human aldehyde dehydrogenase 1a3 in complex with selective nr6 inhibitor compound (see paper)
36% identity, 95% coverage: 16:482/492 of query aligns to 17:486/489 of 7a6qB

query
sites
7a6qB

Y

F

I

I

N

N

G

N

T

E

W

W

R

H

A

E

G

S

R

K

S

S

A

G

R

K

L

F

D
x
A

D
x
T

R
x
C

N

N

P
|
P

F

S

N

T

G

R

E

E

Q

Q

L

I

L

C

E

E

M

V

P

E

L

E

A

G

S

D

I

K

A

P

D

D

L

V

D

D

D

K

A

A

Y

V

Q

E

A

A

Q

Q

K

V

A

A

-

F

-

Q

-

R

Q

G

A

S

A

P

W

W

A

R

Q

R

L

L

H

D

P

A

T

L

Q

S

R

R

G

G

A

R

Q

L

L

L

E

H

K

Q

L

L

A

A

Q

D

V

L

I

V

Q

E

N

R

R

D

R

R

E

A

E

T

I

L

I

A

D

A

W

L

L

E

I

T

H

M

E
x
D

S

T

G

G

S

K

T

P

R

F

I

L

K

H

A

A

S

F

-

F

M

I

E

D

W

L

Q

E

F
x
G

T

C

L

I

N

R

L

T

V

L

R

R

E

Y

C

F

T

A

T

G

M

W

P

A

M

D

Q

K

V

I

E

Q

G

G

R

K

I

T

L

I

T

P

S

T

Y

-

K
x
D

P

D

G
x
N

E

V

Q

V

S

C

F

F

V

T

F

R

R

H

E

E

P

P

L

I

G

G

V

V

V

C

G

G

V

A

I
|
I

S

T

P

P

W
|
W

N
|
N

F

F

P

P

L

L

Y

L

L

M

S

L

M

V

R

W

S

K

V

L

V

A

P

P

A

A

L

L

A

C

L

C

G

G

N

N

T

T

I

M

V

V

L

L

K
|
K

P

P

A

A

S
x
E

D
x
Q

T

T

A

P

V

L

T

T

G

A

G

-

L

L

L

Y

I

L

A

G

H

S

L

L

F

I

E

K

E

E

A

A

G

G

F

F

P

P

E

P

G

G

S

V

L

V

N

N

V

I

V

V

V

P

G

G

A
x
F

G
|
G

S

P

E

T

I

V

G
|
G

D

A

A

A

F

I

V

S

E

S

H

H

P

P

V

Q

P

I

S

N

L

K

I

I

S

A

F

F

T

T

G

G

S
|
S

T

T

D

E

V
|
V

G

G

R

K

N

L

V

V

G

K

R

E

I

A

A

A

T

S

G

R

G

S

K

-

H

N

I

L

K

K

R

R

V

V

A

T

L

L

E
|
E

L

L

G

G

N

K

A

N

P

P

L

C

V

I

V

V

L

C

D

A

D

D

A

A

D

D

I

L

D

D

V

L

A

A

A

V

H

E

A

C

A

A

V

H

V

Q

G

G

R

V

F

F

L

F

H

N

Q

Q

G

G

Q

Q

I

C

C
|
C

M

T

S

A

V

A

N

S

R

R

V

V

I

F

V

V

D

E

R

E

S

Q

L

V

Y

Y

A

S

D

E

F

F

A

V

S

R

L

R

V

S

A

V

E

E

R

Y

V

A

R

K

N

K

L

R

K

P

T

V

G

G

D

D

P

P

T

F

K

D

A

V

D

K

T

T

V

E

I

Q

G

G

P

P

V

Q

V
x
I

N
x
D

Q

Q

S
x
K

Q

Q

L

F

D

D

G

K

L

I

L

L

R

E

K

L

L

I

D

E

G

S

A

G

R

K

S

K

A

E

G

G

L

A

K

K

Q

L

L

E

C

C

G

G

P

S

A

A

-

M

-

E

-

D

S

K

G

G

L

L

V

F

L

I

P

K

A

P

H

T

V

V

F

F

G

S

E

E

V

V

G

T

A

D

D

N

Q

M

E

R

L

I

A

A

R

K

D

E

E

E

T

I

F

F

G

G

P

P

L

V

L

Q

P

P

L

I

L

L

V

K

A

F

E

K

N

S

E

I

T

E

H

E

A

V

L

I

A

K

L

R

A

A

N

N

A

S

S

T

E

D

Y

Y

G

G

L

L

S

T

S

A

A

A

V

V

F

F

T

T

R

K

D

N

M

L

A

D

R

K

G

A

L

L

N

K

F

L

A

A

R

S

G

A

I

L

V

E

A

S

G

G

M

T

T

V

H

W

I

I

N

N

D

C

I

Y

T
x
N

V

A

D

-

D
x
L

Q

Y

P
x
A

N

Q

A

A

P

P

F

F

G

G

E

F

K

K

N

M

S

S

G

G

L

N

G

G

R

R

F
x
E

N

L

G

G

H

E

Y

Y

A

A

L

L

D

A

E

E

F

Y

T

T

R

E

A

V

H

K

W

T

V

V

T

T

active site: N163 (= N159), E262 (= E260), C296 (= C294), E470 (≠ F466)
binding nicotinamide-adenine-dinucleotide: I159 (= I155), W162 (= W158), K186 (= K182), E189 (≠ S185), G219 (= G216), G223 (= G220), S240 (= S237), V243 (= V240), K342 (≠ S340)
binding (3-oxidanylidene-3-sodiooxy-propanoyl)oxysodium: A32 (≠ D31), T33 (≠ D32), C34 (≠ R33), P36 (= P35), D103 (≠ E99), E189 (≠ S185), Q190 (≠ D186), F218 (≠ A215), I339 (≠ V337), D340 (≠ N338)
binding 3-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzenecarbonitrile: G118 (≠ F113), D141 (≠ K137), N143 (≠ G139), N451 (≠ T446), L453 (≠ D449), A455 (≠ P451)

7a6qA Crystal structure of human aldehyde dehydrogenase 1a3 in complex with selective nr6 inhibitor compound (see paper)
36% identity, 95% coverage: 16:482/492 of query aligns to 17:486/489 of 7a6qA

query
sites
7a6qA

Y

F

I

I

N

N

G

N

T

E

W

W

R

H

A

E

G

S

R

K

S

S

A

G

R

K

L

F

D

A

D

T

R

C

N

N

P

P

F

S

N

T

G

R

E

E

Q

Q

L

I

L

C

E

E

M

V

P

E

L

E

A

G

S

D

I

K

A

P

D

D

L

V

D

D

D

K

A

A

Y

V

Q

E

A

A

Q

Q

K

V

A

A

-

F

-

Q

-

R

Q

G

A

S

A

P

W

W

A

R

Q

R

L

L

H

D

P

A

T

L

Q

S

R

R

G

G

A

R

Q

L

L

L

E

H

K

Q

L

L

A

A

Q

D

V

L

I

V

Q

E

N

R

R

D

R

R

E

A

E

T

I

L

I

A

D

A

W

L

L

E

I

T

H

M

E

D

S

T

G

G

S

K

T

P

R

F

I

L

K

H

A

A

S

F

-

F

M

I

E

D

W

L

Q

E

F
x
G

T

C

L

I

N

R

L

T

V

L

R

R

E

Y

C

F

T

A

T

G

M

W

P

A

M

D

Q

K

V

I

E

Q

G

G

R

K

I

T

L

I

T

P

S

T

Y

-

K
x
D

P

D

G
x
N

E

V

Q

V

S

C

F

F

V

T

F

R

R

H

E

E

P

P

L

I

G

G

V

V

V

C

G

G

V

A

I
|
I

S
x
T

P

P

W
|
W

N
|
N

F

F

P

P

L

L

Y

L

L

M

S

L

M

V

R

W

S

K

V

L

V

A

P

P

A

A

L

L

A

C

L

C

G

G

N

N

T

T

I

M

V

V

L

L

K
|
K

P

P

A
|
A

S
x
E

D

Q

T

T

A

P

V

L

T

T

G

A

G

-

L

L

L

Y

I

L

A

G

H

S

L

L

F

I

E

K

E

E

A

A

G

G

F

F

P

P

E

P

G

G

S

V

L

V

N

N

V

I

V

V

V

P

G

G

A

F

G
|
G

S

P

E

T

I

V

G
|
G

D

A

A

A

F

I

V

S

E

S

H

H

P

P

V

Q

P

I

S

N

L

K

I

I

S

A

F

F

T

T

G

G

S
|
S

T

T

D

E

V
|
V

G

G

R

K

N

L

V

V

G

K

R

E

I

A

A

A

T

S

G

R

G

S

K

-

H

N

I

L

K

K

R

R

V

V

A

T

L

L

E
|
E

L

L

G

G

N

K

A

N

P

P

L

C

V

I

V

V

L

C

D

A

D

D

A

A

D

D

I

L

D

D

V

L

A

A

A

V

H

E

A

C

A

A

V

H

V

Q

G

G

R

V

F

F

L

F

H

N

Q

Q

G

G

Q

Q

I

C

C
|
C

M

T

S

A

V

A

N

S

R

R

V

V

I

F

V

V

D

E

R

E

S

Q

L

V

Y

Y

A

S

D

E

F

F

A

V

S

R

L

R

V

S

A

V

E

E

R

Y

V

A

R

K

N

K

L

R

K

P

T

V

G

G

D

D

P

P

T

F

K

D

A

V

D

K

T

T

V

E

I

Q

G

G

P

P

V

Q

V

I

N

D

Q

Q

S
x
K

Q

Q

L

F

D

D

G
x
K

L

I

L

L

R

E

K

L

L

I

D

E

G

S

A

G

R

K

S

K

A

E

G

G

L

A

K

K

Q

L

L

E

C

C

G

G

P

S

A

A

-

M

-

E

-

D

S

K

G

G

L

L

V

F

L

I

P

K

A

P

H

T

V

V

F

F

G

S

E

E

V

V

G

T

A

D

D

N

Q

M

E

R

L

I

A

A

R

K

D

E

E

E

T

I

F

F

G

G

P

P

L

V

L

Q

P

P

L

I

L

L

V

K

A

F

E

K

N

S

E

I

T

E

H

E

A

V

L

I

A

K

L

R

A

A

N

N

A

S

S

T

E

D

Y

Y

G

G

L

L

S

T

S

A

A

A

V

V

F

F

T

T

R

K

D

N

M

L

A

D

R

K

G

A

L

L

N

K

F

L

A

A

R

S

G

A

I

L

V

E

A

S

G

G

M

T

T

V

H

W

I

I

N

N

D

C

I

Y

T
x
N

V

A

D

-

D
x
L

Q
x
Y

P

A

N

Q

A

A

P

P

F

F

G

G

E

F

K

K

N

M

S

S

G

G

L

N

G

G

R

R

F
x
E

N

L

G

G

H

E

Y

Y

A

A

L

L

D

A

E

E

F

Y

T

T

R

E

A

V

H

K

W

T

V

V

T

T

active site: N163 (= N159), E262 (= E260), C296 (= C294), E470 (≠ F466)
binding nicotinamide-adenine-dinucleotide: I159 (= I155), T160 (≠ S156), W162 (= W158), K186 (= K182), A188 (= A184), E189 (≠ S185), G219 (= G216), G223 (= G220), S240 (= S237), V243 (= V240), K342 (≠ S340), K346 (≠ G344)
binding 3-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzenecarbonitrile: G118 (≠ F113), D141 (≠ K137), N143 (≠ G139), N451 (≠ T446), L453 (≠ D449), Y454 (≠ Q450)

5fhzA Human aldehyde dehydrogenase 1a3 complexed with NAD(+) and retinoic acid (see paper)
36% identity, 95% coverage: 16:482/492 of query aligns to 17:486/489 of 5fhzA

query
sites
5fhzA

Y

F

I

I

N

N

G

N

T

E

W

W

R

H

A

E

G

S

R

K

S

S

A

G

R

K

L

F

D

A

D

T

R

C

N

N

P

P

F

S

N

T

G

R

E

E

Q

Q

L

I

L

C

E

E

M

V

P

E

L

E

A

G

S

D

I

K

A

P

D

D

L

V

D

D

D

K

A

A

Y

V

Q

E

A

A

Q

Q

K

V

A

A

-

F

-

Q

-

R

Q

G

A

S

A

P

W

W

A

R

Q

R

L

L

H

D

P

A

T

L

Q

S

R

R

G

G

A

R

Q

L

L

L

E

H

K

Q

L

L

A

A

Q

D

V

L

I

V

Q

E

N

R

R

D

R

R

E

A

E

T

I

L

I

A

D

A

W

L

L

E

I

T

H

M

E

D

S

T

G

G

S

K

T

P

R

F

I

L

K

H

A

A

S

F

-

F

M

I

E

D

W

L

Q

E

F
x
G

T

C

L

I

N
x
R

L

T

V

L

R

R

E

Y

C

F

T

A

T

G

M

W

P

A

M

D

Q

K

V

I

E

Q

G

G

R

K

I

T

L

I

T

P

S

T

Y

-

K

D

P

D

G

N

E

V

Q

V

S

C

F

F

V

T

F

R

R

H

E

E

P

P

L

I

G

G

V

V

V

C

G

G

V

A

I
|
I

S
x
T

P

P

W
|
W

N
|
N

F
|
F

P

P

L

L

Y

L

L
x
M

S

L

M

V

R
x
W

S

K

V

L

V

A

P

P

A

A

L

L

A

C

L

C

G

G

N

N

T

T

I

M

V

V

L

L

K
|
K

P

P

A

A

S
x
E

D

Q

T

T

A

P

V

L

T

T

G

A

G

-

L

L

L

Y

I

L

A

G

H

S

L

L

F

I

E

K

E

E

A

A

G

G

F

F

P

P

E

P

G

G

S

V

L

V

N

N

V

I

V

V

V

P

G

G

A

F

G
|
G

S

P

E

T

I

V

G
|
G

D

A

A

A

F

I

V

S

E

S

H

H

P

P

V

Q

P

I

S

N

L

K

I

I

S

A

F
|
F

T

T

G
|
G

S
|
S

T
|
T

D

E

V
|
V

G

G

R

K

N

L

V

V

G

K

R

E

I

A

A

A

T

S

G

R

G

S

K

-

H

N

I

L

K

K

R

R

V

V

A

T

L

L

E
|
E

L

L

G
|
G

G

G

N

K

A

N

P

P

L

C

V

I

V

V

L

C

D

A

D

D

A

A

D

D

I

L

D

D

V

L

A

A

A

V

H

E

A

C

A

A

V

H

V

Q

G

G

R

V

F

F

L

F

H

N

Q

Q

G

G

Q

Q

I
x
C

C
|
C

M

T

S

A

V

A

N

S

R

R

V

V

I

F

V

V

D

E

R

E

S

Q

L

V

Y

Y

A

S

D

E

F

F

A

V

S

R

L

R

V

S

A

V

E

E

R

Y

V

A

R

K

N

K

L

R

K

P

T

V

G

G

D

D

P

P

T

F

K

D

A

V

D

K

T

T

V

E

I

Q

G

G

P

P

V

Q

V

I

N

D

Q

Q

S

K

Q
|
Q

L

F

D

D

G

K

L

I

L

L

R

E

K

L

L

I

D

E

G

S

A

G

R

K

S

K

A

E

G

G

L

A

K

K

Q

L

L

E

C

C

G

G

P

S

A

A

-

M

-

E

-

D

S

K

G

G

L

L

V

F

L

I

P

K

A

P

H

T

V

V

F

F

G

S

E

E

V

V

G

T

A

D

D

N

Q

M

E

R

L

I

A

A

R

K

D

E

E
|
E

T

I

F

F

G

G

P

P

L

V

L

Q

P

P

L

I

L

L

V

K

A

F

E

K

N

S

E

I

T

E

H

E

A

V

L

I

A

K

L

R

A

A

N

N

A

S

S

T

E

D

Y

Y

G

G

L

L

S

T

S

A

A

A

V

V

F

F

T

T

R

K

D

N

M

L

A

D

R

K

G

A

L

L

N

K

F

L

A

A

R

S

G

A

I

L

V

E

A

S

G

G

M

T

T

V

H

W

I

I

N

N

D

C

I

Y

T

N

V

A

D

-

D
x
L

Q

Y

P

A

N

Q

A

A

P

P

F

F

G

G

E

F

K

K

N

M

S

S

G

G

L

N

G

G

R

R

F
x
E

N

L

G

G

H

E

Y

Y

A

A

L

L

D

A

E

E

F

Y

T

T

R

E

A

V

H

K

W

T

V

V

T

T

active site: N163 (= N159), K186 (= K182), E262 (= E260), C296 (= C294), E393 (= E388), E470 (≠ F466)
binding nicotinamide-adenine-dinucleotide: I159 (= I155), T160 (≠ S156), W162 (= W158), K186 (= K182), E189 (≠ S185), G219 (= G216), G223 (= G220), F237 (= F234), G239 (= G236), S240 (= S237), T241 (= T238), V243 (= V240), G264 (= G262), Q343 (= Q341), E393 (= E388)
binding retinoic acid: G118 (≠ F113), R121 (≠ N116), F164 (= F160), M168 (≠ L164), W171 (≠ R167), C295 (≠ I293), C296 (= C294), L453 (≠ D449)

6te5B Crystal structure of human aldehyde dehydrogenase 1a3 in complex with lq43 inhibitor compound (see paper)
35% identity, 96% coverage: 16:486/492 of query aligns to 11:479/479 of 6te5B

query
sites
6te5B

Y

F

I

I

N

N

G

N

T

E

W

W

R

H

A

E

G

S

R

K

S

S

A

G

R

K

L

F

D

A

D

T

R

C

N

N

P

P

F

S

N

T

G

R

E

E

Q

Q

L

I

L

C

E

E

M

V

P

E

L

E

A

G

S

D

I

K

A

P

D

D

L

V

D

D

D

K

A

A

Y

V

Q

E

A

A

Q

Q

K

V

A

A

-

F

-

Q

-

R

Q

G

A

S

A

P

W

W

A

R

Q

R

L

L

H

D

P

A

T

L

Q

S

R

R

G

G

A

R

Q

L

L

L

E

H

K

Q

L

L

A

A

Q

D

V

L

I

V

Q

E

N

R

R

D

R

R

E

A

E

T

I

L

I

A

D

A

W

L

L

E

I

T

H

M

E

D

S

T

G

G

S

K

T

P

R

F

I

L

K

H

A

A

S

F

-

F

M

I

E

D

W

L

Q
x
E

F
x
G

T

C

L

I

N

R

L
x
T

V

L

R

R

E

Y

C

F

T

A

T

G

M

W

P

A

M

D

Q

K

V

I

E

Q

G

G

R

K

I

T

L

I

T

P

S

T

Y

-

K

D

P

D

G

N

E

V

Q

V

S

C

F

F

V

T

F

R

R

H

E

E

P

P

L

I

G

G

V

V

V

C

G

G

V

A

I
|
I

S
x
T

P

P

W
|
W

N
|
N

F

F

P

P

L

L

Y

L

L

M

S

L

M

V

R

W

S

K

V

L

V

A

P

P

A

A

L

L

A

C

L

C

G

G

N

N

T

T

I

M

V

V

L

L

K
|
K

P

P

A

A

S
x
E

D

Q

T

T

A

P

V

L

T

T

G

A

G

-

L

L

L

Y

I

L

A

G

H

S

L

L

F

I

E

K

E

E

A

A

G

G

F

F

P

P

E

P

G

G

S

V

L

V

N

N

V

I

V

V

V

P

G

G

A

F

G
|
G

S

P

E

T

I

V

G

G

D

A

A

A

F

I

V

S

E

S

H

H

P

P

V

Q

P

I

S

N

L

K

I

I

S

A

F
|
F

T

T

G

G

S
|
S

T

T

D

E

V
|
V

G

G

R

K

N

L

V

V

G

K

R

E

I

A

A

A

T

S

G

R

G

S

K

-

H

N

I

L

K

K

R

R

V

V

A

T

L

L

E
|
E

L

L

G

G

N

K

A

N

P

P

L

C

V

I

V

V

L

C

D

A

D

D

A

A

D

D

I

L

D

D

V

L

A

A

A

V

H

E

A

C

A

A

V

H

V

Q

G

G

R

V

F

F

L

F

H

N

Q

Q

G

G

Q

Q

I

C

C
|
C

M

T

S

A

V

A

N

S

R

R

V

V

I

F

V

V

D

E

R

E

S

Q

L

V

Y

Y

A

S

D

E

F

F

A

V

S

R

L

R

V

S

A

V

E

E

R

Y

V

A

R

K

N

K

L

R

K

P

T

V

G

G

D

D

P

P

T

F

K

D

A

V

D

K

T

T

V

E

I

Q

G

G

P

P

V

Q

V

I

N

D

Q

Q

S

K

Q
|
Q

L

F

D

D

G
x
K

L

I

L

L

R

E

K

L

L

I

D

E

G

S

A

G

R

K

S

K

A

E

G

G

L

A

K

K

Q

L

L

E

C

C

G

G

P

-

A

-

S

S

G

A

L

M

V

F

L

I

P

K

A

P

H

T

V

V

F

F

G

S

E

E

V

V

G

T

A

D

D

N

Q

M

E

R

L

I

A

A

R

K

D

E

E

E

T

I

F

F

G

G

P

P

L

V

L

Q

P

P

L

I

L

L

V

K

A

F

E

K

N

S

E

I

T

E

H

E

A

V

L

I

A

K

L

R

A

A

N

N

A

S

S

T

E

D

Y

Y

G

G

L

L

S

T

S

A

A

A

V

V

F

F

T

T

R

K

D

N

M

L

A

D

R

K

G

A

L

L

N

K

F

L

A

A

R

S

G

A

I

L

V

E

A

S

G

G

M

T

T

V

H

W

I

I

N

N

D

C

I

Y

T

N

V

A

D

-

D
x
L

Q

Y

P
x
A

N

Q

A

A

P

P

F

F

G

G

E

F

K

K

N

M

S

S

G

G

L

N

G

G

R

R

F
x
E

N

L

G

G

H

E

Y

Y

A

A

L

L

D

A

E

E

F

Y

T

T

R

E

A

V

H

K

W

T

V

V

T

T

W

I

Q

K

P

L

G

G

active site: N157 (= N159), E256 (= E260), C290 (= C294), E459 (≠ F466)
binding 6-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine: E111 (≠ Q112), G112 (≠ F113), T116 (≠ L117), L442 (≠ D449), A444 (≠ P451)
binding nicotinamide-adenine-dinucleotide: I153 (= I155), T154 (≠ S156), W156 (= W158), K180 (= K182), E183 (≠ S185), G213 (= G216), F231 (= F234), S234 (= S237), V237 (= V240), Q337 (= Q341), K340 (≠ G344)

6tryA Crystal structure of human aldehyde dehydrogenase 1a3 in complex with mf13 inhibitor compound (see paper)
35% identity, 96% coverage: 16:486/492 of query aligns to 10:478/478 of 6tryA

query
sites
6tryA

Y

F

I

I

N

N

G

N

T

E

W

W

R

H

A

E

G

S

R

K

S

S

A

G

R

K

L

F

D

A

D

T

R

C

N

N

P

P

F

S

N

T

G

R

E

E

Q

Q

L

I

L

C

E

E

M

V

P

E

L

E

A

G

S

D

I

K

A

P

D

D

L

V

D

D

D

K

A

A

Y

V

Q

E

A

A

Q

Q

K

V

A

A

-

F

-

Q

-

R

Q

G

A

S

A

P

W

W

A

R

Q

R

L

L

H

D

P

A

T

L

Q

S

R

R

G

G

A

R

Q

L

L

L

E

H

K

Q

L

L

A

A

Q

D

V

L

I

V

Q

E

N

R

R

D

R

R

E

A

E

T

I

L

I

A

D

A

W

L

L

E

I

T

H

M

E

D

S

T

G

G

S

K

T

P

R

F

I

L

K

H

A

A

S

F

-

F

M
x
I

E

D

W

L

Q

E

F
x
G

T

C

L

I

N

R

L
x
T

V

L

R

R

E

Y

C

F

T

A

T

G

M

W

P

A

M

D

Q

K

V

I

E

Q

G

G

R

K

I

T

L

I

T

P

S

T

Y

-

K

D

P

D

G

N

E

V

Q

V

S

C

F

F

V

T

F

R

R

H

E

E

P

P

L

I

G

G

V

V

V

C

G

G

V

A

I
|
I

S
x
T

P

P

W
|
W

N
|
N

F

F

P

P

L

L

Y
x
L

L

M

S

L

M

V

R

W

S

K

V

L

V

A

P

P

A

A

L

L

A

C

L

C

G

G

N

N

T

T

I

M

V

V

L

L

K
|
K

P

P

A
|
A

S
x
E

D

Q

T

T

A

P

V

L

T

T

G

A

G

-

L

L

L

Y

I

L

A

G

H

S

L

L

F

I

E

K

E

E

A

A

G

G

F

F

P

P

E

P

G

G

S

V

L

V

N

N

V

I

V

V

V

P

G

G

A

F

G
|
G

S

P

E

T

I

V

G
|
G

D
x
A

A

A

F

I

V

S

E

S

H

H

P

P

V

Q

P

I

S

N

L

K

I

I

S

A

F
|
F

T

T

G
|
G

S
|
S

T

T

D

E

V
|
V

G

G

R

K

N

L

V

V

G

K

R

E

I

A

A

A

T

S

G

R

G

S

K

-

H

N

I

L

K

K

R

R

V

V

A

T

L

L

E
|
E

L

L

G

G

N

K

A

N

P

P

L

C

V

I

V

V

L

C

D

A

D

D

A

A

D

D

I

L

D

D

V

L

A

A

A

V

H

E

A

C

A

A

V

H

V

Q

G

G

R

V

F

F

L

F

H

N

Q

Q

G

G

Q

Q

I
x
C

C
|
C

M

T

S

A

V

A

N

S

R

R

V

V

I

F

V

V

D

E

R

E

S

Q

L

V

Y

Y

A

S

D

E

F

F

A

V

S

R

L

R

V

S

A

V

E

E

R

Y

V

A

R

K

N

K

L

R

K

P

T

V

G

G

D

D

P

P

T

F

K

D

A

V

D

K

T

T

V

E

I

Q

G

G

P

P

V

Q

V

I

N

D

Q

Q

S
x
K

Q

Q

L

F

D

D

G

K

L

I

L

L

R

E

K

L

L

I

D

E

G

S

A

G

R

K

S

K

A

E

G

G

L

A

K

K

Q

L

L

E

C

C

G

G

P

-

A

-

S

S

G

A

L

M

V

F

L

I

P

K

A

P

H

T

V

V

F

F

G

S

E

E

V

V

G

T

A

D

D

N

Q

M

E

R

L

I

A

A

R

K

D

E

E

E

T

I

F

F

G

G

P

P

L

V

L

Q

P

P

L

I

L

L

V

K

A

F

E

K

N

S

E

I

T

E

H

E

A

V

L

I

A

K

L

R

A

A

N

N

A

S

S

T

E

D

Y

Y

G

G

L

L

S

T

S

A

A

A

V

V

F

F

T

T

R

K

D

N

M

L

A

D

R

K

G

A

L

L

N

K

F

L

A

A

R

S

G

A

I

L

V

E

A

S

G

G

M

T

T

V

H

W

I

I

N

N

D

C

I

Y

T

N

V

A

D

-

D
x
L

Q

Y

P
x
A

N

Q

A

A

P

P

F

F

G

G

E

F

K

K

N

M

S

S

G

G

L

N

G

G

R

R

F
x
E

N

L

G

G

H

E

Y

Y

A

A

L

L

D

A

E

E

F

Y

T

T

R

E

A

V

H

K

W

T

V

V

T

T

W

I

Q

K

P

L

G

G

active site: N156 (= N159), E255 (= E260), C289 (= C294), E458 (≠ F466)
binding nicotinamide-adenine-dinucleotide: I152 (= I155), T153 (≠ S156), W155 (= W158), K179 (= K182), A181 (= A184), E182 (≠ S185), G212 (= G216), G216 (= G220), A217 (≠ D221), F230 (= F234), G232 (= G236), S233 (= S237), V236 (= V240), K335 (≠ S340)
binding 8-(4-chlorophenyl)-2-phenyl-imidazo[1,2-a]pyridine: I107 (≠ M109), G111 (≠ F113), T115 (≠ L117), L160 (≠ Y163), C288 (≠ I293), L441 (≠ D449), A443 (≠ P451)

6s6wA Crystal structure of human aldh1a3 in complex with 2,6- diphenylimidazo[1,2-a]pyridine (compound ga11) and NAD+ (see paper)
35% identity, 96% coverage: 16:486/492 of query aligns to 13:476/476 of 6s6wA

query
sites
6s6wA

Y

F

I

I

N

N

G

N

T

E

W

W

R

H

A

E

G

S

R

K

S

S

A

G

R

K

L

F

D

A

D

T

R

C

N

N

P

P

F

S

N

T

G

R

E

E

Q

Q

L

I

L

C

E

E

M

V

P

E

L

E

A

G

S

D

I

K

A

P

D

D

L

V

D

D

D

K

A

A

Y

V

Q

E

A

A

Q

Q

K

V

A

A

-

F

-

Q

-

R

Q

G

A

S

A

P

W

W

A

R

Q

R

L

L

H

D

P

A

T

L

Q

S

R

R

G

G

A

R

Q

L

L

L

E

H

K

Q

L

L

A

A

Q

D

V

L

I

V

Q

E

N

R

R

D

R

R

E

A

E

T

I

L

I

A

D

A

W

L

L

E

I

T

H

M

E

D

S

T

G

G

S

K

T

P

R

F

I

L

K

H

A

A

S

F

-

F

M

I

E

D

W

L

Q
x
E

F
x
G

T

C

L

I

N

R

L

T

V

L

R

R

E

Y

C

F

T

A

T

G

M

W

P

A

M

D

Q

K

V

I

E

Q

G

G

R

K

I

T

L

I

T

P

S

T

Y

-

K

D

P

D

G

N

E

V

Q

V

S

C

F

F

V

T

F

R

R

H

E

E

P

P

L

I

G

G

V

V

V

C

G

G

V

A

I
|
I

S
x
T

P

P

W
|
W

N
|
N

F

F

P

P

L

L

Y

L

L

M

S

L

M

V

R
x
W

S

K

V

L

V

A

P

P

A

A

L

L

A

C

L

C

G

G

N

N

T

T

I

M

V

V

L

L

K
|
K

P

P

A
|
A

S

E

D

Q

T

T

A

P

V

L

T

T

G

A

G

-

L

L

L

Y

I

L

A

G

H

S

L

L

F

I

E

K

E

E

A

A

G

G

F

F

P

P

E

P

G

G

S

V

L

V

N

N

V

I

V

V

V

P

G

G

A

F

G
|
G

S

P

E

T

I

V

G
|
G

D
x
A

A

A

F

I

V

S

E

S

H

H

P

P

V

Q

P

I

S

N

L

K

I

I

S

A

F
|
F

T

T

G

G

S
|
S

T

T

D

E

V
|
V

G

G

R

K

N

L

V

V

G

K

R

E

I

A

A

A

T

S

G

R

G

S

K

-

H

N

I

L

K

K

R

R

V

V

A

T

L

L

E
|
E

L

L

G

G

N

K

A

N

P

P

L

C

V

I

V

V

L

C

D

A

D

D

A

A

D

D

I

L

D

D

V

L

A

A

A

V

H

E

A

C

A

A

V

H

V

Q

G

G

R

V

F

F

L

F

H

N

Q

Q

G

G

Q

Q

I

C

C
|
C

M

T

S

A

V

A

N

S

R

R

V

V

I

F

V

V

D

E

R

E

S

Q

L

V

Y

Y

A

S

D

E

F

F

A

V

S

R

L

R

V

S

A

V

E

E

R

Y

V

A

R

K

N

K

L

R

K

P

T

V

G

G

D

D

P

P

T

F

K

D

A

V

D

K

T

T

V

E

I

Q

G

G

P

P

V

Q

V

I

N

D

Q

Q

S
x
K

Q

Q

L

F

D

D

G

K

L

I

L

L

R

E

K

L

L

I

D

E

G

S

A

G

R

K

S

K

A

E

G

G

L

A

K

K

Q

L

L

E

C

C

G

S

G

A

P

-

A

-

S

-

G

-

L

-

V

-

L

M

P

P

A

T

H

-

V

V

F

F

G

S

E

E

V

V

G

T

A

D

D

N

Q

M

E

R

L

I

A

A

R

K

D

E

E

E

T

I

F

F

G

G

P

P

L

V

L

Q

P

P

L

I

L

L

V

K

A

F

E

K

N

S

E

I

T

E

H

E

A

V

L

I

A

K

L

R

A

A

N

N

A

S

S

T

E

D

Y

Y

G

G

L

L

S

T

S

A

A

A

V

V

F

F

T

T

R

K

D

N

M

L

A

D

R

K

G

A

L

L

N

K

F

L

A

A

R

S

G

A

I

L

V

E

A

S

G

G

M

T

T

V

H

W

I

I

N

N

D

C

I

Y

T

N

V

A

D

-

D
x
L

Q
x
Y

P

A

N

Q

A

A

P

P

F

F

G

G

E

F

K

K

N

M

S

S

G

G

L

N

G

G

R

R

F
x
E

N

L

G

G

H

E

Y

Y

A

A

L

L

D

A

E

E

F

Y

T

T

R

E

A

V

H

K

W

T

V

V

T

T

W

I

Q

K

P

L

G

G

active site: N159 (= N159), E258 (= E260), C292 (= C294), E456 (≠ F466)
binding 2,6-diphenylimidazo[1,2-a]pyridine: E113 (≠ Q112), G114 (≠ F113), W167 (≠ R167), L439 (≠ D449), Y440 (≠ Q450)
binding nicotinamide-adenine-dinucleotide: I155 (= I155), T156 (≠ S156), W158 (= W158), K182 (= K182), A184 (= A184), G215 (= G216), G219 (= G220), A220 (≠ D221), F233 (= F234), S236 (= S237), V239 (= V240), K338 (≠ S340)

4cazA Crystal structure of betaine aldehyde dehydrogenase from pseudomonas aeruginosa in complex with nadh
34% identity, 97% coverage: 16:492/492 of query aligns to 9:489/489 of 4cazA

query
sites
4cazA

Y

Y

I

I

N

G

G

G

T

R

W

Y

R

V

A

E

G

A

R

S

S

S

A

G

R

A

R

T

L

F

D

E

D

T

R

I

N

N

P

P

F

A

N

N

G

G

E

E

Q

V

L

L

L

A

E

K

M

V

P

Q

L

R

A

A

S

S

I

R

A

E

D

D

L

V

D

E

D

R

A

A

Y

V

Q

Q

A

S

A

A

Q

V

K

E

A

G

Q

Q

A

K

A

V

W

W

A

A

Q

A

L

M

H

T

P

A

T

M

Q

Q

R

R

G

S

A

R

Q

I

L

L

E

R

K

R

L

A

A

V

Q

D

V

I

I

L

Q

R

N

E

R

R

R

N

E

D

E

E

I

L

I

-

D

-

W

-

L

-

I

-

H

-

E

-

S

-

G

-

S

-

T

-

R

-

I

-

K

-

A

A

S

A

M

L

E

E

W

T

Q

L

F

D

T

T

L

G

N

K

L

P

V

L

R

A

E

E

C

T

T

R

T

S

M

V

P

D

M

I

Q

V

V

T

E

G

G

A

R

D

I

V

L

L

T

E

S

Y

Y

Y

K

A

-

G

-

L

-

V

-

P

-

A

-

I

P

E

G

G

E

E

Q

Q

-

I

-

P

-

L

-

R

-

E

-

T

S

S

F

F

V

V

F

Y

-

T

-

R

R

R

E

E

P

P

L

L

G

G

V

V

G

A

V

G

I
|
I

S
x
G

P

A

W
|
W

N
|
N

F

Y

P

P

L

V

Y

Q

L

I

S

A

M

L

R

W

S

K

V

S

V

A

P

P

A

A

L

L

A

A

L

A

G

G

N

N

T

A

I

M

V

I

L

F

K
|
K

P

P

A

S

S
x
E

D

V

T

T

A

P

V

L

T

T

G

A

G

-

L

L

L

K

I

L

A

A

H

E

L

I

F

Y

E

T

E

E

A

A

G

G

F

V

P

P

E

D

G

G

S

V

L

F

N

N

V

V

V

L

V

T

G

G

A

S

G
|
G

S

R

E

E

I

V

G
|
G

D

Q

A

W

F

L

V

T

E

E

H

H

P

P

V

L

P

I

S

E

L

K

I

I

S

S

F
|
F

T
|
T

G
|
G

S
x
G

T

T

D

S

V
x
T

G

G

R

K

N

K

V
|
V

G

M

R

A

I

S

A

A

T

S

G

S

G

-

K

S

H

S

I

L

K

K

R

E

V

V

A

T

L

M

E
|
E

L
|
L

G

G

N

K

A

S

P

P

L

L

V

I

L

F

D

P

D

D

A

A

D

D

I

L

D

D

V

R

A

A

H

D

A

I

A

A

V

V

V

M

G

A

R

N

F

F

L

F

H

S

Q

S

G

G

Q

Q

I

V

C
|
C

M

T

S

N

V

G

N

T

R

R

V

V

I

F

V

I

D

H

R

R

S

S

L

Q

Y

Q

A

A

D

R

F

F

A

E

S

A

L

K

V

V

A

L

E

E

R

R

V

V

R

Q

N

R

L

I

K

R

T

L

G

G

D

D

P

P

T

Q

K

D

A

E

D

N

T

T

V

N

I

F

G

G

P

P

V

L

V

V

N

S

Q

F

S

P

Q

H

L

M

D

E

G

S

L

V

L

L

R

G

K

Y

L

I

D

E

G

S

A

G

R

K

S

A

A

Q

G

K

L

A

K

R

Q

L

L

L

C

C

G

G

P

E

-

R

-

V

-

T

-

D

-

G

-

A

-

F

A

G

S

K

G

G

L

A

V

Y

L

V

P

A

A

P

H

T

V

V

F

F

G

T

E

D

V

C

G

R

A

D

D

D

Q

M

E

T

L

I

A

V

R

R

D

E

E
|
E

T

I

F
|
F

G

G

P

P

L

V

L

M

P

S

L

I

L

L

V

V

A

Y

E

D

N

D

E

E

T

D

H

E

A

A

L

I

A

R

L

R

A

A

N

N

A

D

S

T

E

E

Y

Y

G

G

L

L

S

A

A

G

V

V

F

V

T

T

R

Q

D

D

M

L

A

A

R

R

G

A

L

H

N

R

F

A

A

I

R

H

G

R

I

L

V

E

A

A

G

G

M

I

T

C

H

W

I

I

N

N

D

-

I

-

T

T

V

W

D

G

D

E

Q

S

P

P

-

A

N

E

A

M

P

P

F

V

G

G

E

Y

K

K

N

Q

S

S

G

G

L

V

G

G

R

R

F
x
E

N

N

G

G

H

L

Y

T

A

T

L

L

D

A

E

H

F

Y

T

T

R

R

A

I

H

K

W

S

V

V

T

Q

W

V

Q

E

P

L

G

G

G

D

H

Y

H

A

Y

S

P

V

F

F

active site: N152 (= N159), K175 (= K182), E251 (= E260), C285 (= C294), E386 (= E388), E463 (≠ F466)
binding [[(2R,3S,4R,5R)-5-[(3R)-3-aminocarbonyl-3,4-dihydro-2H-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate: I148 (= I155), G149 (≠ S156), W151 (= W158), N152 (= N159), K175 (= K182), E178 (≠ S185), G208 (= G216), G212 (= G220), F226 (= F234), T227 (= T235), G228 (= G236), G229 (≠ S237), T232 (≠ V240), V236 (= V244), E251 (= E260), L252 (= L261), C285 (= C294), E386 (= E388), F388 (= F390)

2woxA Betaine aldehyde dehydrogenase from pseudomonas aeruginosa with NAD(p) h-catalytic thiol adduct. (see paper)
34% identity, 97% coverage: 16:492/492 of query aligns to 9:489/489 of 2woxA

query
sites
2woxA

Y

Y

I

I

N

G

G

G

T

R

W

Y

R

V

A

E

G

A

R

S

S

S

A

G

R

A

R

T

L

F

D

E

D

T

R

I

N

N

P

P

F

A

N

N

G

G

E

E

Q

V

L

L

L

A

E

K

M

V

P

Q

L

R

A

A

S

S

I

R

A

E

D

D

L

V

D

E

D

R

A

A

Y

V

Q

Q

A

S

A

A

Q

V

K

E

A

G

Q

Q

A

K

A

V

W

W

A

A

Q

A

L

M

H

T

P

A

T

M

Q

Q

R

R

G

S

A

R

Q

I

L

L

E

R

K

R

L

A

A

V

Q

D

V

I

I

L

Q

R

N

E

R

R

R

N

E

D

E

E

I

L

I

-

D

-

W

-

L

-

I

-

H

-

E

-

S

-

G

-

S

-

T

-

R

-

I

-

K

-

A

A

S

A

M

L

E

E

W

T

Q

L

F

D

T

T

L

G

N

K

L

P

V

L

R

A

E

E

C

T

T

R

T

S

M

V

P

D

M

I

Q

V

V

T

E

G

G

A

R

D

I

V

L

L

T

E

S

Y

Y

Y

K

A

-

G

-

L

-

V

-

P

-

A

-

I

P

E

G

G

E

E

Q

Q

-

I

-

P

-

L

-

R

-

E

-

T

S

S

F

F

V

V

F

Y

-

T

-

R

R

R

E

E

P

P

L

L

G

G

V

V

G

A

V

G

I
|
I

S
x
G

P

A

W
|
W

N
|
N

F

Y

P

P

L

V

Y

Q

L

I

S

A

M

L

R

W

S

K

V

S

V

A

P

P

A

A

L

L

A

A

L

A

G

G

N

N

T

A

I

M

V

I

L

F

K
|
K

P

P

A
x
S

S
x
E

D

V

T

T

A

P

V

L

T

T

G

A

G

-

L

L

L

K

I

L

A

A

H

E

L

I

F

Y

E

T

E

E

A

A

G

G

F

V

P

P

E

D

G

G

S

V

L

F

N

N

V

V

V

L

V

T

G

G

A

S

G
|
G

S

R

E

E

I

V

G
|
G

D

Q

A

W

F

L

V

T

E

E

H

H

P

P

V

L

P

I

S

E

L

K

I

I

S

S

F
|
F

T
|
T

G
|
G

S
x
G

T

T

D

S

V
x
T

G

G

R

K

N

K

V
|
V

G

M

R

A

I

S

A

A

T

S

G

S

G

-

K

S

H

S

I

L

K

K

R

E

V

V

A

T

L

M

E
|
E

L
|
L

G

G

N

K

A

S

P

P

L

L

V

I

L

F

D

P

D

D

A

A

D

D

I

L

D

D

V

R

A

A

H

D

A

I

A

A

V

V

V

M

G

A

R

N

F

F

L

F

H

S

Q

S

G

G

Q

Q

I

V

C
|
C

M

T

S

N

V

G

N

T

R

R

V

V

I

F

V

I

D

H

R

R

S

S

L

Q

Y

Q

A

A

D

R

F

F

A

E

S

A

L

K

V

V

A

L

E

E

R

R

V

V

R

Q

N

R

L

I

K

R

T

L

G

G

D

D

P

P

T

Q

K

D

A

E

D

N

T

T

V

N

I

F

G

G

P

P

V

L

V

V

N

S

Q

F

S

P

Q

H

L

M

D

E

G

S

L

V

L

L

R

G

K

Y

L

I

D

E

G

S

A

G

R

K

S

A

A

Q

G

K

L

A

K

R

Q

L

L

L

C

C

G

G

P

E

-

R

-

V

-

T

-

D

-

G

-

A

-

F

A

G

S

K

G

G

L

A

V

Y

L

V

P

A

A

P

H

T

V

V

F

F

G

T

E

D

V

C

G

R

A

D

D

D

Q

M

E

T

L

I

A

V

R

R

D

E

E
|
E

T

I

F
|
F

G

G

P

P

L

V

L

M

P

S

L

I

L

L

V

V

A

Y

E

D

N

D

E

E

T

D

H

E

A

A

L

I

A

R

L

R

A

A

N

N

A

D

S

T

E

E

Y

Y

G

G

L

L

S

A

A

G

V

V

F

V

T

T

R

Q

D

D

M

L

A

A

R

R

G

A

L

H

N

R

F

A

A

I

R

H

G

R

I

L

V

E

A

A

G

G

M

I

T

C

H

W

I

I

N

N

D

-

I

-

T

T

V

W

D

G

D

E

Q

S

P

P

-

A

N

E

A

M

P

P

F

V

G

G

E

Y

K

K

N

Q

S

S

G

G

L

V

G

G

R

R

F
x
E

N

N

G

G

H

L

Y

T

A

T

L

L

D

A

E

H

F

Y

T

T

R

R

A

I

H

K

W

S

V

V

T

Q

W

V

Q

E

P

L

G

G

G

D

H

Y

H

A

Y

S

P

V

F

F

active site: N152 (= N159), K175 (= K182), E251 (= E260), C285 (= C294), E386 (= E388), E463 (≠ F466)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: I148 (= I155), G149 (≠ S156), W151 (= W158), N152 (= N159), K175 (= K182), S177 (≠ A184), E178 (≠ S185), G208 (= G216), G212 (= G220), F226 (= F234), T227 (= T235), G228 (= G236), G229 (≠ S237), T232 (≠ V240), V236 (= V244), E251 (= E260), L252 (= L261), C285 (= C294), E386 (= E388), F388 (= F390)

2wmeA Crystallographic structure of betaine aldehyde dehydrogenase from pseudomonas aeruginosa (see paper)
34% identity, 97% coverage: 16:492/492 of query aligns to 9:489/489 of 2wmeA

query
sites
2wmeA

Y

Y

I

I

N

G

G

G

T

R

W

Y

R

V

A

E

G

A

R

S

S

S

A

G

R

A

R

T

L

F

D

E

D

T

R

I

N

N

P

P

F

A

N

N

G

G

E

E

Q

V

L

L

L

A

E

K

M

V

P

Q

L

R

A

A

S

S

I

R

A

E

D

D

L

V

D

E

D

R

A

A

Y

V

Q

Q

A

S

A

A

Q

V

K

E

A

G

Q

Q

A

K

A

V

W

W

A

A

Q

A

L

M

H

T

P

A

T

M

Q

Q

R

R

G

S

A

R

Q

I

L

L

E

R

K

R

L

A

A

V

Q

D

V

I

I

L

Q

R

N

E

R

R

R

N

E

D

E

E

I

L

I

-

D

-

W

-

L

-

I

-

H

-

E

-

S

-

G

-

S

-

T

-

R

-

I

-

K

-

A

A

S

A

M

L

E

E

W

T

Q

L

F

D

T

T

L

G

N

K

L

P

V

L

R

A

E

E

C

T

T

R

T

S

M

V

P

D

M

I

Q

V

V

T

E

G

G

A

R

D

I

V

L

L

T

E

S

Y

Y

Y

K

A

-

G

-

L

-

V

-

P

-

A

-

I

P

E

G

G

E

E

Q

Q

-

I

-

P

-

L

-

R

-

E

-

T

S

S

F

F

V

V

F

Y

-

T

-

R

R

R

E

E

P

P

L

L

G

G

V

V

G

A

V

G

I

I

S
x
G

P

A

W
|
W

N
|
N

F

Y

P

P

L

V

Y

Q

L

I

S

A

M

L

R

W

S

K

V

S

V

A

P

P

A

A

L

L

A

A

L

A

G

G

N

N

T

A

I

M

V

I

L

F

K
|
K

P

P

A
x
S

S
x
E

D

V

T

T

A

P

V

L

T

T

G

A

G

-

L

L

L

K

I

L

A

A

H

E

L

I

F

Y

E

T

E

E

A

A

G

G

F

V

P

P

E

D

G

G

S

V

L

F

N

N

V

V

V

L

V

T

G

G

A

S

G
|
G

S

R

E

E

I

V

G
|
G

D

Q

A

W

F

L

V

T

E

E

H

H

P

P

V

L

P

I

S

E

L

K

I

I

S

S

F
|
F

T

T

G
|
G

S
x
G

T

T

D

S

V
x
T

G

G

R

K

N

K

V
|
V

G

M

R

A

I

S

A

A

T

S

G

S

G

-

K

S

H

S

I

L

K

K

R

E

V

V

A

T

L

M

E
|
E

L

L

G

G

N

K

A

S

P

P

L

L

V

I

L

F

D

P

D

D

A

A

D

D

I

L

D

D

V

R

A

A

H

D

A

I

A

A

V

V

V

M

G

A

R

N

F

F

L

F

H

S

Q

S

G

G

Q

Q

I

V

C
|
C

M

T

S

N

V

G

N

T

R

R

V

V

I

F

V

I

D

H

R

R

S

S

L

Q

Y

Q

A

A

D

R

F

F

A

E

S

A

L

K

V

V

A

L

E

E

R

R

V

V

R

Q

N

R

L

I

K

R

T

L

G

G

D

D

P

P

T

Q

K

D

A

E

D

N

T

T

V

N

I

F

G

G

P

P

V

L

V

V

N

S

Q

F

S

P

Q

H

L

M

D

E

G

S

L

V

L

L

R

G

K

Y

L

I

D

E

G

S

A

G

R

K

S

A

A

Q

G

K

L

A

K

R

Q

L

L

L

C

C

G

G

P

E

-

R

-

V

-

T

-

D

-

G

-

A

-

F

A

G

S

K

G

G

L

A

V

Y

L

V

P

A

A

P

H

T

V

V

F

F

G

T

E

D

V

C

G

R

A

D

D

D

Q

M

E

T

L

I

A

V

R

R

D

E

E
|
E

T

I

F

F

G

G

P

P

L

V

L

M

P

S

L

I

L

L

V

V

A

Y

E

D

N

D

E

E

T

D

H

E

A

A

L

I

A

R

L

R

A

A

N

N

A

D

S

T

E

E

Y

Y

G

G

L

L

S

A

A

G

V

V

F

V

T

T

R

Q

D

D

M

L

A

A

R

R

G

A

L

H

N

R

F

A

A

I

R

H

G

R

I

L

V

E

A

A

G

G

M

I

T

C

H

W

I

I

N

N

D

-

I

-

T

T

V

W

D

G

D

E

Q

S

P

P

-

A

N

E

A

M

P

P

F

V

G

G

E

Y

K

K

N

Q

S

S

G

G

L

V

G

G

R

R

F
x
E

N

N

G

G

H

L

Y

T

A

T

L

L

D

A

E

H

F

Y

T

T

R

R

A

I

H

K

W

S

V

V

T

Q

W

V

Q

E

P

L

G

G

G

D

H

Y

H

A

Y

S

P

V

F

F

active site: N152 (= N159), K175 (= K182), E251 (= E260), C285 (= C294), E386 (= E388), E463 (≠ F466)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G149 (≠ S156), W151 (= W158), K175 (= K182), S177 (≠ A184), E178 (≠ S185), G208 (= G216), G212 (= G220), F226 (= F234), G228 (= G236), G229 (≠ S237), T232 (≠ V240), V236 (= V244)

Q9HTJ1 NAD/NADP-dependent betaine aldehyde dehydrogenase; BADH; EC 1.2.1.8 from Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1) (see 2 papers)
34% identity, 97% coverage: 16:492/492 of query aligns to 10:490/490 of Q9HTJ1

query
sites
Q9HTJ1

Y

Y

I

I

N

G

G

G

T

R

W

Y

R

V

A

E

G

A

R

S

S

S

A

G

R

A

R

T

L

F

D

E

D

T

R

I

N

N

P

P

F

A

N

N

G

G

E

E

Q

V

L

L

L

A

E

K

M

V

P

Q

L

R

A

A

S

S

I

R

A

E

D

D

L

V

D

E

D

R

A

A

Y

V

Q

Q

A

S

A

A

Q

V

K

E

A

G

Q

Q

A

K

A

V

W

W

A

A

Q

A

L

M

H

T

P

A

T

M

Q

Q

R

R

G

S

A

R

Q

I

L

L

E

R

K

R

L

A

A

V

Q

D

V

I

I

L

Q

R

N

E

R

R

R

N

E

D

E

E

I

L

I

-

D

-

W

-

L

-

I

-

H

-

E

-

S

-

G

-

S

-

T

-

R

-

I

-

K

-

A

A

S

A

M

L

E

E

W

T

Q

L

F

D

T

T

L

G

N

K

L

P

V

L

R

A

E

E

C

T

T

R

T

S

M

V

P

D

M

I

Q

V

V

T

E

G

G

A

R

D

I

V

L

L

T

E

S

Y

Y

Y

K

A

-

G

-

L

-

V

-

P

-

A

-

I

P

E

G

G

E

E

Q

Q

-

I

-

P

-

L

-

R

-

E

-

T

S

S

F

F

V

V

F

Y

-

T

-

R

R

R

E

E

P

P

L

L

G

G

V

V

G

A

V

G

I

I

S
x
G

P
x
A

W
|
W

N
|
N

F

Y

P

P

L

V

Y

Q

L

I

S

A

M

L

R

W

S
x
K

V

S

V

A

P

P

A

A

L

L

A

A

L

A

G

G

N

N

T

A

I

M

V

I

L

F

K
|
K

P
|
P

A
x
S

S
x
E

D

V

T

T

A

P

V

L

T

T

G

A

G

-

L

L

L

K

I

L

A

A

H

E

L

I

F

Y

E

T

E

E

A

A

G

G

F

V

P

P

E

D

G

G

S

V

L

F

N

N

V

V

V

L

V

T

G

G

A

S

G
|
G

S

R

E

E

I

V

G

G

D

Q

A

W

F

L

V

T

E

E

H

H

P

P

V

L

P

I

S

E

L

K

I

I

S

S

F

F

T

T

G

G

S
x
G

T
|
T

D
x
S

V
x
T

G

G

R

K

N

K

V

V

G

M

R

A

I

S

A

A

T

S

G

S

G

-

K

S

H

S

I

L

K

K

R

E

V

V

A

T

L

M

E
|
E

L

L

G

G

N

K

A

S

P

P

L

L

V

I

L

F

D

P

D

D

A

A

D

D

I

L

D

D

V

R

A

A

H

D

A

I

A

A

V

V

V

M

G

A

R

N

F

F

L

F

H

S

Q

S

G

G

Q

Q

I

V

C
|
C

M

T

S

N

V

G

N

T

R

R

V

V

I

F

V

I

D

H

R

R

S

S

L

Q

Y

Q

A

A

D

R

F

F

A

E

S

A

L

K

V

V

A

L

E

E

R

R

V

V

R

Q

N

R

L

I

K

R

T

L

G

G

D

D

P

P

T

Q

K

D

A

E

D

N

T

T

V

N

I

F

G

G

P

P

V

L

V

V

N

S

Q

F

S

P

Q

H

L

M

D

E

G

S

L

V

L

L

R

G

K

Y

L

I

D

E

G

S

A

G

R

K

S

A

A

Q

G

K

L

A

K

R

Q

L

L

L

C

C

G

G

P

E

-

R

-

V

-

T

-

D

-

G

-

A

-

F

A

G

S

K

G

G

L

A

V

Y

L

V

P

A

A

P

H

T

V

V

F

F

G

T

E

D

V

C

G

R

A

D

D

D

Q

M

E

T

L

I

A

V

R

R

D

E

E
|
E

T

I

F

F

G

G

P

P

L

V

L

M

P

S

L

I

L

L

V

V

A

Y

E

D

N

D

E

E

T

D

H

E

A

A

L

I

A

R

L

R

A

A

N

N

A

D

S

T

E

E

Y

Y

G

G

L

L

S

A

A

G

V

V

F

V

T

T

R

Q

D

D

M

L

A

A

R

R

G

A

L

H

N

R

F

A

A

I

R

H

G

R

I

L

V

E

A

A

G

G

M

I

T

C

H

W

I

I

N

N

D

-

I

-

T

T

V

W

D

G

D

E

Q

S

P

P

-

A

N

E

A

M

P

P

F

V

G

G

E

Y

K

K

N

Q

S

S

G

G

L

V

G

G

R

R

F
x
E

N

N

G

G

H

L

Y

T

A

T

L

L

D

A

E

H

F

Y

T

T

R

R

A

I

H

K

W

S

V

V

T

Q

W

V

Q

E

P

L

G

G

G

D

H

Y

H

A

Y

S

P

V

F

F

GAWN 150:153 (≠ SPWN 156:159) binding
K162 (≠ S168) active site, Charge relay system
KPSE 176:179 (≠ KPAS 182:185) binding
G209 (= G216) binding
GTST 230:233 (≠ STDV 237:240) binding
E252 (= E260) active site, Proton acceptor
C286 (= C294) binding covalent; modified: Cysteine sulfenic acid (-SOH)
E387 (= E388) binding
E464 (≠ F466) active site, Charge relay system

7w5nA The crystal structure of the reduced form of gluconobacter oxydans wsh-004 sndh (see paper)
34% identity, 97% coverage: 5:482/492 of query aligns to 5:492/492 of 7w5nA

query
sites
7w5nA

P

P

L

L

A

K

P

P

Y

R

A

E

I

F

N

G

G

-

D

-

Q

F

Y

F

I

I

N

D

G

G

T

E

W

W

R

R

A

A

G

G

R

K

S

D

A

F

R

-

L

F

D

D

D

R

R

S

N

S

P

P

F

A

N

H

G

D

E

V

Q

P

L

V

L

T

E

R

M

I

P

P

L

R

A

C

S

T

I

R

A

E

D

D

L

L

D

D

D

E

A

A

Y

V

Q

A

A

A

Q

R

K

R

A

A

-

F

-

E

Q

N

A

G

A

S

W

W

A

A

Q

G

L

L

H

A

P

A

T

A

Q

D

R

R

G

A

A

A

Q

V

L

L

E

L

K

K

L

A

A

A

Q

G

V

L

I

L

Q

R

N

E

R

R

E

D

I

I

I

A

D

Y

W

W

L

E

I

V

H

L

E

E

S

N

G

G

S

K

T

P

R

I

I

S

K

Q

A

A

S

K

M

G

E

E

W

I

Q

D

F

H

T

C

L

I

N

A

L

C

V

F

R

E

E

M

C

A

T

A

T

G

M

A

P

A

M

R

Q

M

V

L

E

H

G

G

R

D

I

T

L

F

T

N

S

N

Y

L

K

G

P

E

G

G

E

L

Q

F

S

G

F

M

V

V

F

L

R

R

E

E

P

P

L

I

G

G

V

V

G

G

V

L

I

I

S

T

P

P

W
|
W

N

N

F

F

P

P

L

F

Y

M

L

I

S

L

M

C

R

E

S

R

V

A

V

P

P

F

A

I

L

L

A

A

L

S

G

G

N

C

T

T

I

L

V

V

L

V

K
|
K

P

P

A
|
A

S

E

D

V

T

T

A

S

V

A

T

T

G

T

G

-

L

L

I

L

A

A

H

E

L

I

F

L

E

A

E

D

A

A

G

G

F

L

P

P

E

K

G

G

S

V

L

F

N

N

V

V

V

T

G

G

A
x
T

G
|
G

S

R

E

T

I

V

G
|
G

D

Q

A

A

F

M

V

T

E

E

H

H

P

Q

V

D

P

I

S

D

L

M

I

L

S

S

F
|
F

T

T

G
|
G

S
|
S

T

T

D

G

V
|
V

G

G

R

K

N

S

V

C

G

I

R

H

I

-

A

A

T

A

G

A

G

D

K

S

H

N

I

L

K

K

R

K

V

L

A

G

L

L

E

E

L

L

G

G

N

K

A

N

P

P

L

I

V

V

L

F

D

A

D

D

A

S

D

N

I

L

D

E

V

D

A

A

H

D

A

A

A

V

V

A

V

F

G

G

R

I

F

S

L

F

H

N

Q

T

G

G

Q

Q

I

C

C

C

M

V

S

S

V

S

N

S

R

R

V

L

I

I

V

V

D

E

R

R

S

S

L

V

Y

A

A

E

D

K

F

F

A

E

S

R

L

L

V

V

A

V

E

A

R

K

V

M

R

E

N

K

L

I

K

R

T

V

G

G

D

D

P

P

T

F

K

D

A

P

D

E

T

T

V

Q

I

I

G

G

P

A

V

I

V

T

N

T

Q

E

S

A

Q
|
Q

L

N

D

K

G

T

L

I

L

L

R

D

K

Y

L

I

D

A

G

K

A

G

R

K

S

A

A

E

G

G

L

A

K

K

Q

L

L

L

C

C

G

G

P

G

-

I

-

V

-

D

-

F

A

G

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K

G

G

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V

Y

L

I

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Q

A

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F

F

G

T

E

D

V

V

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K

A

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M

E

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I

A

A

R

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D

D

E
|
E

T

I

F
|
F

G

G

P

P

L

V

L

L

P

A

L

S

L

F

V

H

A

F

E

D

N

T

E

V

T

D

H

E

A

A

L

I

A

A

L

I

A

A

N

N

A

D

S

T

E

V

Y

Y

G

G

L

L

S

A

A

S

V

V

F

W

T

S

R

K

D

D

M

I

A

D

R

K

G

A

L

L

N

A

F

V

A

T

R

R

G

R

I

V

V

R

A

A

G

G

M

R

T

F

H

W

I

V

N

N

D

T

I

I

T

-

V

M

D

S

D

G

Q

G

P

P

N

E

A

T

P

P

F

L

G

G

E

F

K

K

N

Q

S

S

G

G

L

W

G

G

R

R

F

E

N

A

G

G

H

L

Y

Y

A

G

L

V

D

E

E

E

F

Y

T

T

-

Q

-

I

-

K

-

S

-

V

-

H

-

I

-

E

-

T

-

G

-

K

R

R

A

S

H

H

W

W

V

I

T

S

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: W156 (= W158), K180 (= K182), A182 (= A184), T212 (≠ A215), G213 (= G216), G217 (= G220), F231 (= F234), G233 (= G236), S234 (= S237), V237 (= V240), Q337 (= Q341), E388 (= E388), F390 (= F390)

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)
32% identity, 95% coverage: 17:482/492 of query aligns to 15:479/482 of P25526

query
sites
P25526

I

I

N

N

G

G

T

E

W

W

R

L

A

D

G

A

R

N

S

N

A

G

R

E

R

A

L

I

D

D

D

V

R

T

N

N

P

P

F

A

N

N

G

G

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L

L

L

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M

V

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P

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A

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G

I

A

A

D

D

E

L

T

D

R

D

A

A

A

Y

I

Q

D

A

A

Q

N

K

R

A

A

Q

L

A

P

A

A

W

W

A

R

Q

A

L

L

H

T

P

A

T

K

Q

E

R

R

G

A

A

T

Q

I

L

L

E

R

K

N

L

W

A

F

Q

N

V

L

I

M

Q

M

N

E

R

H

R

Q

E

D

I

L

I

A

D

R

W

L

L

M

I

T

H

L

E

E

S

Q

G

G

S

K

T

P

R

L

I

A

K

E

A

A

S

K

M

G

E

E

W

I

Q

S

F

Y

T

A

L

A

N

S

L

F

V

I

R

E

E

W

C

F

T

A

T

E

M

E

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M

K

Q

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V

I

E

Y

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G

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D

I

T

L

I

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G

Y

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K

Q

P

A

G

D

E

K

Q

R

S

L

F

I

V

V

F

I

R

K

E

Q

P

P

L

I

G

G

V

V

V

T

G

A

V

A

I

I

S

T

P

P

W
|
W

N
|
N

F

F

P

P

L

A

Y

A

L

M

S

I

M

T

R

R

S

K

V

A

V

G

P

P

A

A

L

L

A

A

L

A

G

G

N

C

T

T

I

M

V

V

L

L

K
|
K

P
|
P

A
|
A

S
|
S

D

Q

T

T

A

P

V

F

T

S

G

-

G

A

L

L

L

A

I

L

A

A

H

E

L

L

F

A

E

I

E

R

A

A

G

G

F

V

P

P

E

A

G

G

S

V

L

F

N

N

V

V

V

T

G

G

A

S

G

A

S

G

E

A

I

V

G

G

D

N

A

E

F

L

V

T

E

S

H

N

P

P

V

L

P

V

S

R

L

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I

L

S

S

F

F

T

T

G
|
G

S
|
S

T

T

D

E

V

I

G

G

R

R

N

Q

V

L

G

-

R

-

I

M

A

E

T

Q

G

C

G

A

K

K

H

D

I

I

K

K

R

K

V

V

A

S

L

L

E

E

L
|
L

G

G

N

N

A

A

P

P

L

F

V

I

V

V

L

F

D

D

A

A

D

D

I

L

D

D

V

K

A

A

A

V

H

E

A

G

A

A

V

L

V

A

G

S

R

K

F

F

L

R

H

N

Q

A

G

G

Q

Q

I

T

C

C

M

V

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C

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A

N

N

R

R

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L

I

Y

V

V

D

Q

R

D

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G

L

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Y

Y

A

D

D

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F

F

A

A

S

E

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V

L

A

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E

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A

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V

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S

N

K

L

L

K

H

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I

G

G

D

D

P

G

T

L

K

D

A

N

D

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T

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V

T

I

I

G

G

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P

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Q

A

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A

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E

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A

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D

A

A

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E

A

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A

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R

Q

V

L

V

C

C

G

G

P

K

A

A

-

H

-

E

-

R

S

G

G

G

L

N

V

F

L

F

P

Q

A

P

H

T

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F

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E

D

V

V

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A

A

D

N

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A

E

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A

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D

E

E
|
E

T

T

F

F

G

G

P

P

L

L

L

A

P

P

L

L

L

F

V

R

A

F

E

K

N

D

E

E

T

A

H

D

A

V

L

I

A

A

L

Q

A

A

N

N

A

D

S

T

E

E

Y

F

G

G

L

L

S

A

A

Y

V

F

F

Y

T

A

R

R

D

D

M

L

A

S

R

R

G

V

L

F

N

R

F

V

A

G

R

E

G

A

I

L

V

E

A

Y

G

G

M

I

T

V

H

G

I

I

N

N

D

T

I

G

T

I

V

I

D

S

D

N

Q

E

P

V

N

-

A

A

P

P

F

F

G

G

E

I

K

K

N

A

S

S

G

G

L

L

G

G

R

R

F

E

N

G

G

S

H

K

Y

Y

A

G

L

I

D

E

E

D

F

Y

T

L

R

E

A

I

H

K

W

Y

V

M

T

C

WN 156:157 (= WN 158:159) binding
KPAS 180:183 (= KPAS 182:185) binding
GS 233:234 (= GS 236:237) binding
L256 (= L261) binding
E386 (= E388) binding

Query Sequence

>Pf6N2E2_225 FitnessBrowser__pseudo6_N2E2:Pf6N2E2_225
MTTQPLAPYAINGDQYINGTWRAGRSARRLDDRNPFNGEQLLEMPLASIADLDDAYQAAQ
KAQAAWAQLHPTQRGAQLEKLAQVIQNRREEIIDWLIHESGSTRIKASMEWQFTLNLVRE
CTTMPMQVEGRILTSYKPGEQSFVFREPLGVVGVISPWNFPLYLSMRSVVPALALGNTIV
LKPASDTAVTGGLLIAHLFEEAGFPEGSLNVVVGAGSEIGDAFVEHPVPSLISFTGSTDV
GRNVGRIATGGKHIKRVALELGGNAPLVVLDDADIDVAAHAAVVGRFLHQGQICMSVNRV
IVDRSLYADFASLVAERVRNLKTGDPTKADTVIGPVVNQSQLDGLLRKLDGARSAGLKQL
CGGPASGLVLPAHVFGEVGADQELARDETFGPLLPLLVAENETHALALANASEYGLSSAV
FTRDMARGLNFARGIVAGMTHINDITVDDQPNAPFGGEKNSGLGRFNGHYALDEFTRAHW
VTWQPGGHHYPF

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