SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing BPHYT_RS23175 BPHYT_RS23175 gamma-glutamyl-gamma-aminobutyraldehyde dehydrogenase to proteins with known functional sites using BLASTp with E ≤ 0.001.

Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures

Found 20 (the maximum) hits to proteins with known functional sites (download)

5iuwA Crystal structure of indole-3-acetaldehyde dehydrogenase in complexed with NAD+ and iaa (see paper)
64% identity, 98% coverage: 9:496/497 of query aligns to 7:495/495 of 5iuwA

query
sites
5iuwA

W

W

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E

D

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R

A

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N

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F

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D

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S

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L

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A

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active site: N166 (= N168), K189 (= K191), E265 (= E266), C300 (= C301), E399 (= E399), D476 (= D477)
binding 1h-indol-3-ylacetic acid: F167 (= F169), M170 (≠ L172), M171 (= M173), W174 (= W176), V299 (≠ M300), C300 (= C301), T301 (= T302), D457 (= D457), F465 (= F466)
binding nicotinamide-adenine-dinucleotide: I162 (≠ V164), V163 (= V165), P164 (= P166), W165 (= W167), N166 (= N168), K189 (= K191), P190 (= P192), S191 (= S193), E192 (= E194), G222 (= G224), H223 (≠ E225), G226 (= G227), K227 (= K228), F240 (= F241), T241 (= T242), G242 (= G243), S243 (= S244), I246 (≠ V247), L250 (≠ I251), Y253 (= Y254), E265 (= E266), A266 (≠ L267), G267 (= G268), C300 (= C301), E399 (= E399), F401 (= F401), L427 (= L427), F465 (= F466)

5iuvA Crystal structure of indole-3-acetaldehyde dehydrogenase in complexed with NAD+ (see paper)
64% identity, 98% coverage: 9:496/497 of query aligns to 7:495/495 of 5iuvA

query
sites
5iuvA

W

W

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E

D

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F

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C

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F

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G

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H

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K

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D

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H

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A

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F

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K

K

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L

active site: N166 (= N168), K189 (= K191), E265 (= E266), C300 (= C301), E399 (= E399), D476 (= D477)
binding nicotinamide-adenine-dinucleotide: I162 (≠ V164), V163 (= V165), P164 (= P166), W165 (= W167), N166 (= N168), K189 (= K191), P190 (= P192), S191 (= S193), E192 (= E194), G222 (= G224), H223 (≠ E225), G226 (= G227), K227 (= K228), F240 (= F241), T241 (= T242), G242 (= G243), S243 (= S244), I246 (≠ V247), L250 (≠ I251), Y253 (= Y254), E265 (= E266), A266 (≠ L267), G267 (= G268), C300 (= C301), E399 (= E399), F401 (= F401), L427 (= L427), F465 (= F466)

7jsoA P. Syringae alda indole-3-acetaldehyde dehydrogenase c302a mutant in complex with NAD+ and iaa (see paper)
63% identity, 98% coverage: 9:496/497 of query aligns to 7:495/495 of 7jsoA

query
sites
7jsoA

W

W

Q

E

D

Q

K

R

A

A

A

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A

A

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K

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I

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P
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P

W
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W

N
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F
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F

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I

L

L

M

M

M

A

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W
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W

K

K

F

L

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G

S
|
S

T

T

N

K

V
x
I

G

A

K

K

L

Q

I
x
L

M

M

Q

I

Y
|
Y

A

A

G

G

Q

E

S

S

N

N

L

M

K

K

R

R

V

V

W

W

L

L

E
|
E

L
x
A

G
|
G

G

G

K

K

S

S

P

P

N

N

I

I

V

V

M

F

P

A

D

D

C

A

P

P

D

D

M

L

D

Q

R

A

A

A

N

D

A

S

A

A

G

S

A

A

I

I

F

A

Y
x
F

N

N

M

Q

G

G

E

E

M
x
V

C
x
A

T
|
T

A

A

G

G

S

S

R

R

L

L

V

V

H

E

R

R

D

S

I

I

K

K

D

D

V

R

F

F

I

L

D

P

K

M

L

V

I

I

A

E

A

A

A

L

R

G

S

T

Y

W

T

K

P

P

G

G

N

N

P

P

L

L

D

D

P

P

D

A

T

T

S

N

M

V

G

G

A

A

I

L

V

V

D

D

K

T

V

Q

Q
|
Q

L

M

E

N

R

T

V

V

L

L

G

S

Y

Y

I

I

E

A

A

A

G

G

R

H

A

T

E

D

-

G

A

A

K

R

L

L

L

V

L

A

G

G

A

K

R

Q

V

I

K

L

E

Q

D

E

T

T

G

G

F

T

Y

Y

I

V

E

E

P

P

T

T

I

I

F

F

E

D

I

G

P

V

G

N

S

N

G

A

A

M

K

R

V

I

A

A

R

Q

E

E

E
|
E

I

I

F
|
F

G

G

P

P

V

V

L

L

S

S

V

V

I

L

T

T

F

F

D

D

T

T

V

A

E

E

A

A

I

I

R

Q

I

I

A

A

N

N

D

D

S

T

E

P

Y

Y

G

G

L

L

A

A

V

V

W

W

T

T

S

A

N

N

L

L

T

S

T

K

A

A

H

H

E

L

V

T

S

A

R

R

K

A

L

L

R

R

A

A

G

G

T

S

V

V

W

W

V

V

N

N

C

Q

Y

Y

D
|
D

E

-

G

G

D

D

M

M

N

T

F

A

P

P

F
|
F

G

G

Y

F

K

K

Q

Q

S

S

G

G

N

N

G

G

R

R

D
|
D

K

K

S

S

L

L

H

H

A

A

L

F

E

D

K

K

Y

Y

T

T

E

E

L

L

K

K

S

S

T

T

L

W

V

I

R

K

L

L

active site: N166 (= N168), E265 (= E266), A300 (≠ C301), D476 (= D477)
binding 1h-indol-3-ylacetic acid: N166 (= N168), F167 (= F169), W174 (= W176), F294 (≠ Y295), V299 (≠ M300), A300 (≠ C301), T301 (= T302), D457 (= D457), F465 (= F466)
binding 1,4-dihydronicotinamide adenine dinucleotide: I162 (≠ V164), V163 (= V165), P164 (= P166), W165 (= W167), N166 (= N168), K189 (= K191), P190 (= P192), S191 (= S193), E192 (= E194), G222 (= G224), H223 (≠ E225), G226 (= G227), K227 (= K228), F240 (= F241), T241 (= T242), G242 (= G243), S243 (= S244), I246 (≠ V247), L250 (≠ I251), Y253 (= Y254), E265 (= E266), A266 (≠ L267), G267 (= G268), A300 (≠ C301), Q347 (= Q348), E399 (= E399), F401 (= F401)

7uyyA The crystal structure of the pseudomonas aeruginosa aldehyde dehydrogenase encoded by the pa4189 gene in complex with nadh (see paper)
51% identity, 97% coverage: 13:494/497 of query aligns to 14:493/496 of 7uyyA

query
sites
7uyyA

A

A

T

T

L

L

S

D

I

L

E

P

G

Q

R

R

A

A

F

F

I

I

D

D

G

G

E

G

Y

F

R

R

D

D

A

A

E

C

G

G

R

R

T

T

F

F

D

A

C

S

L

T

S

N

P

P

I

A

D

T

G

G

K

E

L

L

A

A

K

Q

V

V

A

A

D

A

S

C

G

D

A

A

A

E

D

D

V

V

D

G

A

H

A

A

V

V

A

A

A

S

A

A

R

R

A

A

F

F

D

E

S

D

G

G

V

R

W

W

S

R

G

S

L

R

N

T

P

P

R

A

Q

E

R

R

K

K

A

A

V

A

L

L

R

R

W

L

A

A

A

E

S

L

I

L

R

E

E

E

H

H

M

L

D

L

E

E

L

L

A

A

L

V

L

M

E

E

T

S

L

L

D

D

A

S

G

G

K

K

P

P

I

I

A

R

D

E

T

C

T

Q

S

H

V

T

D

D

V

L

P

P

G

E

A

T

A

I

Y

N

C

T

V

L

E

R

W

W

F

H

A

A

E

E

A

L

I

I

D

D

K

K

I

I

G

Y

G

D

E

S

V

T

A

A

P

P

A

V

D

G

H

S

H

A

L

A

L

L

G

A

L

M

V

V

T

V

R

R

E

E

P

P

I

I

G

G

V

V

A

G

A

L

V
|
V

V
x
L

P
|
P

W
|
W

N

N

F

F

P

P

I

L

L

L

M

M

A

L

S

A

W

W

K

K

F

I

G

G

P

P

A

A

L

L

A

A

G

G

N

C

S

S

V

V

L

V

K
|
K

P
|
P

S
x
A

E

P

K

E

S

T

P

S

L

L

T

T

A

A

I

L

R

R

L

V

A

A

Q

E

L

L

A

A

L

S

D

Q

A

A

G

G

I

I

P

P

A

A

G

G

V

V

F

F

N

N

V

V

P

P

G

G

A

G

G
|
G

-
x
R

E

E

P

A

G
|
G

K
x
E

L

P

L

L

A

G

L

R

H

H

Q

P

D

D

V

V

D

A

C

M

L

V

A

S

F
|
F

T
|
T

G
|
G

S
|
S

T

T

N

A

V
x
T

G

G

K

R

L
|
L

I
x
F

M

L

Q

K

Y
|
Y

A

A

G

A

Q

E

S

S

N

N

L

L

K

K

R

R

V

V

W

V

L

L

E

E

L
x
C

G
|
G

G

G

K

K

S

N

P

P

N

A

I

V

V

V

M

M

P

N

D

D

C

V

P

E

D

D

M

L

D

D

R

L

A

V

A

A

N

Q

A

H

A

V

G

N

A

G

I

A

F

F

Y

W

N

N

M

M

G

G

E

E

M

N

C
|
C

T

S

A

A

G

S

S

S

R

R

L

L

L

I

V

V

H

H

R

A

D

E

I

V

K

R

D

E

V

A

F

L

I

L

D

E

K

R

L

I

I

G

A

A

A

Q

A

L

R

R

S

E

Y

W

T

R

P

M

G

G

N

D

P

P

L

L

D

D

P

P

D

R

T

N

S

R

M

L

G

G

A

A

I

L

V

V

D

S

K

P

V

A

Q
x
H

L

F

E

E

R
x
K

V

V

L

R

G

A

Y

Y

I

L

E

D

A

Q

G

A

R

R

A

T

E

E

A

R

-

L

K

A

L

V

L

R

L

F

G

G

A

A

R

-

V

-

K

-

E

-

D

T

T

E

G

A

G

G

F

I

Y

F

I

V

E

E

P

P

T

T

I

V

F

V

E

D

I

G

P

V

G

S

S

P

G

H

A

S

K

R

V

L

A

F

R

R

E

E

E
|
E

I

I

F
|
F

G

G

P

P

V

L

L

L

S

S

V

V

I

T

T

S

F

F

D

D

T

D

V

I

E

D

E

E

A

A

I

I

R

A

I

L

A

A

N

N

D

D

S

T

E

V

Y

Y

G

G

L

L

A

A

A

S

V

A

W

Y

T

T

S

G

N

S

L

L

T

R

T

H

A

A

H

L

E

R

V

L

S

S

R

R

K

E

L

I

R

R

A

A

G

G

T

I

V

V

W

T

V

V

N

N

C

C

Y

F

D

G

E

E

G

-

G

G

D

D

M

A

N

S

F

T

P

P

F

F

G

G

Y

Y

K

K

Q

E

S

S

G

G

-

F

N

G

G

G

R

R

D

D

K

K

S

S

L

V

H

W

A

A

L

H

E

D

K

Q

Y

Y

T

T

E

E

L

L

K

K

S

T

T

I

L

W

V

I

binding 1,4-dihydronicotinamide adenine dinucleotide: V165 (= V164), L166 (≠ V165), P167 (= P166), W168 (= W167), K192 (= K191), P193 (= P192), A194 (≠ S193), G225 (= G224), R226 (vs. gap), G229 (= G227), E230 (≠ K228), F243 (= F241), T244 (= T242), G245 (= G243), S246 (= S244), T249 (≠ V247), L252 (= L250), F253 (≠ I251), Y256 (= Y254), C269 (≠ L267), G270 (= G268), C303 (= C301), H350 (≠ Q348), K353 (≠ R351), E398 (= E399), F400 (= F401)

4pz2B Structure of zm aldh2-6 (rf2f) in complex with NAD (see paper)
50% identity, 96% coverage: 21:497/497 of query aligns to 12:489/494 of 4pz2B

query
sites
4pz2B

R

K

A

L

F

F

I

I

D

N

G

G

E

S

Y

F

R

V

D

D

A

A

E

V

G

S

G

G

R

R

T

T

F

F

D

D

C

T

L

R

S

D

P

P

I

R

D

T

G

G

K

G

L

V

L

I

A

A

K

S

V

V

A

A

D

E

S

A

G

D

A

K

A

E

D

D

V

V

D

D

A

L

A

A

V

V

A

R

A

A

R

R

R

A

A

A

F

F

D

D

S

H

G

G

V

E

W

W

S

P

G

R

L

M

N

S

P

G

R

S

Q

E

R

R

K

G

A

R

V

I

L

M

L

A

R

R

W

L

A

A

A

D

S

L

I

V

R

E

E

E

H

H

M

A

D

G

E

E

L

L

A

A

L

A

L

L

E

E

T

S

L

L

D

D

A

A

G

G

K

K

P

H

I

P

A

A

D

V

T

T

T

R

S

A

V

V

D

D

V

V

P

G

G

N

A

A

Y

G

C

S

V

L

E

R

W

Y

F

F

A

A

E

G

A

A

I

A

D

D

K

K

I

I

G

H

G

G

E

E

V

T

A

L

P

K

A

M

D

P

H

G

H

Q

L

F

L

Q

G

G

L

H

V

T

T

L

R

R

E

E

P

P

I

L

G

G

V

V

V

A

A

G

A

V

V
x
I

P
|
P

W
|
W

N
|
N

F

F

P

P

I

S

L

T

M
|
M

A

F

S

A

W

V

K

K

F

V

G

A

P

P

A

A

L

L

A

A

G

G

N

C

S

A

V

L

V

V

L

V

K
|
K

P
|
P

S
x
A

E
|
E

K

Q

S

T

P

P

L

L

T

S

A

A

I

L

R

Y

L

L

A

A

Q

Q

L

L

A

A

L

K

D

Q

A

A

G

G

I

V

P

P

A

D

G

G

V

V

F

I

N

N

V

V

P

P

G

G

A

F

G
|
G

-
x
P

E

T

P

A

G
|
G

K
x
A

L

A

L

L

A

A

L

S

H

H

Q

M

D

D

V

V

D

D

C

M

L

V

A

S

F
|
F

T
|
T

G
|
G

S
|
S

T

T

N

E

V
|
V

G

G

K

R

L
|
L

I
|
I

M

M

Q

K

Y

A

A

S

G

A

Q

E

S

S

N

N

L

L

K

K

R

P

V

V

W

Y

L

L

E
|
E

L
|
L

G
|
G

G

G

K

K

S

S

P

P

N

L

I

I

V

V

M

F

P

D

D

D

C

A

P

-

D

D

M

L

D

D

R

M

A

A

A

V

N

E

A

L

A

A

A

V

G

G

A

A

I

S

F

F

Y

F

N

N

M

K

G

G

E

E

M

A

C
|
C

T

V

A

A

G

A

S

S

R

R

L

V

L

Y

V

V

H

Q

R

E

D

R

I

V

K

Y

D

D

V

R

F

F

I

E

D

E

K

R

L

L

I

A

A

E

A

R

A

M

R

R

S

S

Y

W

T

V

P

V

G

G

N

D

P

P

L

F

-

S

D

D

P

P

D

R

T

A

S

D

M

Q

G

G

A

P

I

Q

V

V

D

D

K

K

V

A

Q

Q

L

Y

E

E

R

R

V

V

L

L

G

S

Y

Y

I

I

E

D

A

H

G

G

R

K

A

R

E

E

-

G

A

A

K

T

L

L

L

T

G

G

A

R

R

P

V

C

K

A

E

P

D

E

T

G

G

K

G

G

F

Y

Y

Y

I

I

E

E

P

P

T

T

I

V

F

F

E

T

I

N

P

V

G

K

S

E

G

D

A

M

K

I

V

I

A

A

R

K

E

E

E
|
E

I

I

F
|
F

G

G

P

P

V

V

L

M

S

C

V

L

I

M

T

K

F

F

D

K

T

T

V

V

E

E

A

A

I

I

R

A

I

R

A

A

N

N

D

D

S

T

E

R

Y

Y

G

G

L
|
L

A

G

A

A

A

G

V

V

W

V

T

T

S

R

N

D

L

L

T

D

T

V

A

A

H

N

E

R

V

V

S

V

R

R

K

S

L

V

R

R

A

A

G

G

T

V

V

V

W

W

V

V

N

N

C

C

Y

Y

D

F

E

A

G

M

G

G

D

S

M

-

N

D

F

C

P

P

F
|
F

G

G

Y

R

K

K

Q

M

S

S

G

G

N

F

G

G

R

K

D
|
D

K

E

S

G

L

M

H

H

A

A

L

L

E

D

K

K

Y

Y

T

L

E

A

L

V

K

K

S

S

T

V

L

V

V

T

R

P

L

L

R

R

active site: N159 (= N168), K182 (= K191), E258 (= E266), C292 (= C301), E392 (= E399), D469 (= D477)
binding nicotinamide-adenine-dinucleotide: I155 (≠ V164), I156 (≠ V165), P157 (= P166), W158 (= W167), N159 (= N168), M164 (= M173), K182 (= K191), P183 (= P192), A184 (≠ S193), E185 (= E194), G215 (= G224), P216 (vs. gap), G219 (= G227), A220 (≠ K228), F233 (= F241), T234 (= T242), G235 (= G243), S236 (= S244), V239 (= V247), L242 (= L250), I243 (= I251), E258 (= E266), L259 (= L267), G260 (= G268), C292 (= C301), E392 (= E399), F394 (= F401), L420 (= L427), F458 (= F466)

5l13A Structure of aldh2 in complex with 2p3 (see paper)
46% identity, 96% coverage: 21:496/497 of query aligns to 15:489/494 of 5l13A

query
sites
5l13A

R

Q

A

I

F

F

I

I

D

N

G

N

E

E

Y

W

R

H

D

D

A

A

E

V

G

S

G

R

R

K

T

T

F

F

D

P

C

T

L

V

S

N

P

P

I

S

D

T

G

G

K

E

L

V

L

I

A

C

K

Q

V

V

A

A

D

E

S

G

G

D

A

K

A

E

D

D

V

V

D

D

A

K

A

A

V

V

A

K

A

A

R

R

R

A

A

A

F

F

D

Q

S

L

G

G

V

S

-

P

W

W

S

R

G

R

L

M

N

D

P

A

R

S

Q

H

R

R

K

G

A

R

V

L

L

L

L

N

R

R

W

L

A

A

A

D

S

L

I

I

R

E

E

R

H

D

M

R

D

T

E

Y

L

L

A

A

L

A

L

L

E

E

T

T

L

L

D

D

A

N

G

G

K

K

P

P

I

Y

A

V

D

I

T

S

T

Y

S

L

V

V

D

D

V

L

P

D

G
x
M

A

V

A

L

Y

K

C

C

V

L

E

R

W

Y

F

Y

A

A

E

G

A

W

I

A

D

D

K

K

I

Y

G

H

G

G

E

K

V

T

A

I

P

P

A

I

D

D

H

G

H

D

L

F

G

S

L

Y

V

T

T

R

R

H

E

E

P

P

I

V

G

G

V

V

V

C

A

G

A

Q

V

I

P

P

W

W

N
|
N

F
|
F

P

P

I

L

L
|
L

M
|
M

A

Q

S

A

W
|
W

K

K

F

L

G

G

P

P

A

A

L

L

A

A

A

T

G

G

N

N

S

V

V

V

L

M

K
|
K

P

V

S

A

E

E

K

Q

S

T

P

P

L

L

T

T

A

A

I

L

R

Y

L

V

A

A

Q

N

L

L

A

I

L

K

D

E

A

A

G

G

I

F

P

P

A

P

G

G

V

V

F

V

N

N

V

I

V

V

P

P

G

G

A

F

G

G

-

P

E

T

P

A

G

G

K

A

L

A

L

I

A

A

L

S

H

H

Q

E

D

D

V

V

D

D

C

K

L

V

A

A

F

F

T

T

G

G

S

S

T

T

N

E

V

I

G

G

K

R

L

V

I

I

M

Q

Q

V

Y

A

A

A

G

G

Q

S

S

S

N

N

L

L

K

K

R

R

V

V

W

T

L

L

E
|
E

L

L

G

G

K

K

S

S

P

P

N

N

I

I

V

I

M

M

P

S

D

D

C

A

P

-

D

D

M

M

D

D

R

W

A

A

A

V

N

E

A

Q

A

A

A

H

G
x
F

A

A

I

L

F

F

Y
x
F

N

N

M

Q

G

G

E

Q

M
x
C

C
|
C

T
x
C

A

A

G

G

S

S

R

R

L

T

L

F

V

V

H

Q

R

E

D

D

I

I

K

Y

D

D

V

E

F

F

I

V

D

E

K

R

L

S

I

V

A

A

A

R

A

A

R

K

S

S

Y

R

T

V

P

V

G

G

N

N

P

P

L

F

D

D

P

S

D

K

T

T

S

E

M

Q

G

G

A

P

I

Q

V

V

D

D

K

E

V

T

Q

Q

L

F

E

K

R

K

V

I

L

L

G

G

Y

Y

I

I

E

N

A

T

G

G

R

K

A

Q

E

E

A

G

K

A

L

K

L

L

G

C

G

G

A

G

R

G

V

I

K

A

E

A

D

D

T

R

G

-

G

G

F

Y

Y

F

I

I

E

Q

P

P

T

T

I

V

F

F

E

G

I

D

P

V

G

Q

S

D

G

G

A

M

K

T

V

I

A

A

R

K

E

E

E
|
E

I

I

F

F

G

G

P

P

V

V

L

M

S

Q

V

I

I

L

T

K

F

F

D

K

T

T

V

I

E

E

A

V

I

V

R

G

I

R

A

A

N

N

D

N

S

S

E

T

Y

Y

G

G

L

L

A

A

V

V

W

F

T

T

S

K

N

D

L

L

T

D

T

K

A

A

H

N

E

Y

V

L

S

S

R

Q

K

A

L

L

R

Q

A

A

G

G

T

T

V

V

W

W

V

V

N

N

C

C

Y

Y

D
|
D

E

V

G
x
F

G

G

D

A

M

Q

N

S

F

-

P

P

F
|
F

G

G

Y

Y

K

K

Q

M

S

S

G

G

N

S

G

G

R

R

D
x
E

K

L

S

G

L

E

H

Y

A

G

L

L

E

Q

K

A

Y

Y

T

T

E

E

L

V

K

K

S

T

T

V

L

T

V

V

R

K

L

V

active site: N163 (= N168), K186 (= K191), E262 (= E266), C296 (= C301), E393 (= E399), E470 (≠ D477)
binding 2,3,5-trimethyl-6-propyl-7H-furo[3,2-g][1]benzopyran-7-one: M118 (≠ G123), F164 (= F169), L167 (= L172), M168 (= M173), W171 (= W176), F286 (≠ G291), F290 (≠ Y295), C295 (≠ M300), C296 (= C301), C297 (≠ T302), D451 (= D457), F453 (≠ G459), F459 (= F466)

4kwgA Crystal structure analysis of aldh2+aldib13 (see paper)
46% identity, 96% coverage: 21:496/497 of query aligns to 15:489/494 of 4kwgA

query
sites
4kwgA

R

Q

A

I

F

F

I

I

D

N

G

N

E

E

Y

W

R

H

D

D

A

A

E

V

G

S

G

R

R

K

T

T

F

F

D

P

C

T

L

V

S

N

P

P

I

S

D

T

G

G

K

E

L

V

L

I

A

C

K

Q

V

V

A

A

D

E

S

G

G

D

A

K

A

E

D

D

V

V

D

D

A

K

A

A

V

V

A

K

A

A

R

R

R

A

A

A

F

F

D

Q

S

L

G

G

V

S

-

P

W

W

S

R

G

R

L

M

N

D

P

A

R

S

Q

H

R

R

K

G

A

R

V

L

L

L

L

N

R

R

W

L

A

A

A

D

S

L

I

I

R

E

E

R

H

D

M

R

D

T

E

Y

L

L

A

A

L

A

L

L

E

E

T

T

L

L

D

D

A

N

G

G

K

K

P

P

I

Y

A

V

D

I

T

S

T

Y

S

L

V

V

D

D

V

L

P

D

G

M

A

V

A

L

Y

K

C

C

V

L

E

R

W

Y

F

Y

A

A

E

G

A

W

I

A

D

D

K

K

I

Y

G

H

G

G

E

K

V

T

A

I

P

P

A

I

D

D

H

G

H

D

L

F

G

S

L

Y

V

T

T

R

R

H

E

E

P

P

I

V

G

G

V

V

V

C

A

G

A

Q

V

I

P

P

W

W

N
|
N

F
|
F

P

P

I

L

L

L

M
|
M

A

Q

S

A

W
|
W

K

K

F

L

G

G

P

P

A

A

L

L

A

A

A

T

G

G

N

N

S

V

V

V

L

M

K
|
K

P

V

S

A

E

E

K

Q

S

T

P

P

L

L

T

T

A

A

I

L

R

Y

L

V

A

A

Q

N

L

L

A

I

L

K

D

E

A

A

G

G

I

F

P

P

A

P

G

G

V

V

F

V

N

N

V

I

V

V

P

P

G

G

A

F

G

G

-

P

E

T

P

A

G

G

K

A

L

A

L

I

A

A

L

S

H

H

Q

E

D

D

V

V

D

D

C

K

L

V

A

A

F

F

T

T

G

G

S

S

T

T

N

E

V

I

G

G

K

R

L

V

I

I

M

Q

Q

V

Y

A

A

A

G

G

Q

S

S

S

N

N

L

L

K

K

R

R

V

V

W

T

L

L

E
|
E

L

L

G

G

K

K

S

S

P

P

N

N

I

I

V

I

M

M

P

S

D

D

C

A

P

-

D

D

M

M

D

D

R

W

A

A

A

V

N

E

A

Q

A

A

A

H

G

F

A

A

I

L

F

F

Y

F

N

N

M

Q

G

G

E

Q

M
x
C

C
|
C

T
x
C

A

A

G

G

S

S

R

R

L

T

L

F

V

V

H

Q

R

E

D

D

I

I

K

Y

D

D

V

E

F

F

I

V

D

E

K

R

L

S

I

V

A

A

A

R

A

A

R

K

S

S

Y

R

T

V

P

V

G

G

N

N

P

P

L

F

D

D

P

S

D

K

T

T

S

E

M

Q

G

G

A

P

I

Q

V

V

D

D

K

E

V

T

Q

Q

L

F

E

K

R

K

V

I

L

L

G

G

Y

Y

I

I

E

N

A

T

G

G

R

K

A

Q

E

E

A

G

K

A

L

K

L

L

G

C

G

G

A

G

R

G

V

I

K

A

E

A

D

D

T

R

G

-

G

G

F

Y

Y

F

I

I

E

Q

P

P

T

T

I

V

F

F

E

G

I

D

P

V

G

Q

S

D

G

G

A

M

K

T

V

I

A

A

R

K

E

E

E
|
E

I

I

F

F

G

G

P

P

V

V

L

M

S

Q

V

I

I

L

T

K

F

F

D

K

T

T

V

I

E

E

A

V

I

V

R

G

I

R

A

A

N

N

D

N

S

S

E

T

Y

Y

G

G

L

L

A

A

V

V

W

F

T

T

S

K

N

D

L

L

T

D

T

K

A

A

H

N

E

Y

V

L

S

S

R

Q

K

A

L

L

R

Q

A

A

G

G

T

T

V

V

W

W

V

V

N

N

C

C

Y

Y

D
|
D

E

V

G
x
F

G

G

D

A

M

Q

N

S

F

-

P

P

F

F

G

G

Y

Y

K

K

Q

M

S

S

G

G

N

S

G

G

R

R

D
x
E

K

L

S

G

L

E

H

Y

A

G

L

L

E

Q

K

A

Y

Y

T

T

E

E

L

V

K

K

S

T

T

V

L

T

V

V

R

K

L

V

active site: N163 (= N168), K186 (= K191), E262 (= E266), C296 (= C301), E393 (= E399), E470 (≠ D477)
binding 7-bromo-5-methyl-1H-indole-2,3-dione: F164 (= F169), M168 (= M173), W171 (= W176), C295 (≠ M300), C296 (= C301), C297 (≠ T302), D451 (= D457), F453 (≠ G459)

4kwfA Crystal structure analysis of aldh2+aldib33 (see paper)
46% identity, 96% coverage: 21:496/497 of query aligns to 15:489/494 of 4kwfA

query
sites
4kwfA

R

Q

A

I

F

F

I

I

D

N

G

N

E

E

Y

W

R

H

D

D

A

A

E

V

G

S

G

R

R

K

T

T

F

F

D

P

C

T

L

V

S

N

P

P

I

S

D

T

G

G

K

E

L

V

L

I

A

C

K

Q

V

V

A

A

D

E

S

G

G

D

A

K

A

E

D

D

V

V

D

D

A

K

A

A

V

V

A

K

A

A

R

R

R

A

A

A

F

F

D

Q

S

L

G

G

V

S

-

P

W

W

S

R

G

R

L

M

N

D

P

A

R

S

Q

H

R

R

K

G

A

R

V

L

L

L

L

N

R

R

W

L

A

A

A

D

S

L

I

I

R

E

E

R

H

D

M

R

D

T

E

Y

L

L

A

A

L

A

L

L

E

E

T

T

L

L

D

D

A

N

G

G

K

K

P

P

I

Y

A

V

D

I

T

S

T

Y

S

L

V

V

D

D

V

L

P

D

G

M

A

V

A

L

Y

K

C

C

V

L

E

R

W

Y

F

Y

A

A

E

G

A

W

I

A

D

D

K

K

I

Y

G

H

G

G

E

K

V

T

A

I

P

P

A

I

D

D

H

G

H

D

L

F

G

S

L

Y

V

T

T

R

R

H

E

E

P

P

I

V

G

G

V

V

V

C

A

G

A

Q

V

I

P

P

W

W

N
|
N

F
|
F

P

P

I

L

L
|
L

M
|
M

A

Q

S

A

W
|
W

K

K

F

L

G

G

P

P

A

A

L

L

A

A

A

T

G

G

N

N

S

V

V

V

L

M

K
|
K

P

V

S

A

E

E

K

Q

S

T

P

P

L

L

T

T

A

A

I

L

R

Y

L

V

A

A

Q

N

L

L

A

I

L

K

D

E

A

A

G

G

I

F

P

P

A

P

G

G

V

V

F

V

N

N

V

I

V

V

P

P

G

G

A

F

G

G

-

P

E

T

P

A

G

G

K

A

L

A

L

I

A

A

L

S

H

H

Q

E

D

D

V

V

D

D

C

K

L

V

A

A

F

F

T

T

G

G

S

S

T

T

N

E

V

I

G

G

K

R

L

V

I

I

M

Q

Q

V

Y

A

A

A

G

G

Q

S

S

S

N

N

L

L

K

K

R

R

V

V

W

T

L

L

E
|
E

L

L

G

G

K

K

S

S

P

P

N

N

I

I

V

I

M

M

P

S

D

D

C

A

P

-

D

D

M

M

D

D

R

W

A

A

A

V

N

E

A

Q

A

A

A

H

G

F

A

A

I

L

F

F

Y
x
F

N

N

M

Q

G

G

E

Q

M
x
C

C
|
C

T
x
C

A

A

G

G

S

S

R

R

L

T

L

F

V

V

H

Q

R

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active site: N163 (= N168), K186 (= K191), E262 (= E266), C296 (= C301), E393 (= E399), E470 (≠ D477)
binding 1-benzyl-1H-indole-2,3-dione: F164 (= F169), L167 (= L172), M168 (= M173), W171 (= W176), E262 (= E266), F290 (≠ Y295), C295 (≠ M300), C296 (= C301), C297 (≠ T302), D451 (= D457), F453 (≠ G459), F459 (= F466)

4fqfA Crystal structure of a thionitrate intermediate of human aldehyde dehydrogenase-2 (see paper)
46% identity, 96% coverage: 21:496/497 of query aligns to 9:483/488 of 4fqfA

query
sites
4fqfA

R

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