SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_009779838.1 NCBI__GCF_000152985.1:WP_009779838.1 to proteins with known functional sites using BLASTp with E ≤ 0.001.

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

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

3efvA Crystal structure of a putative succinate-semialdehyde dehydrogenase from salmonella typhimurium lt2 with bound NAD (see paper)
43% identity, 95% coverage: 23:473/476 of query aligns to 8:456/459 of 3efvA

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active site: N134 (= N150), E231 (= E247), C265 (= C281), E439 (= E456)
binding nicotinamide-adenine-dinucleotide: I130 (= I146), M131 (≠ Q147), P132 (= P148), W133 (= W149), N134 (= N150), Q139 (= Q155), R142 (= R158), K157 (= K173), A159 (= A175), N190 (≠ H206), V193 (≠ S209), T208 (= T224), G209 (= G225), S210 (= S226), A213 (= A229), E231 (= E247), L232 (= L248), G233 (= G249), C265 (= C281), E362 (= E378), F364 (= F380), F428 (= F445)

4itbA Structure of bacterial enzyme in complex with cofactor and substrate (see paper)
38% identity, 95% coverage: 21:471/476 of query aligns to 2:450/453 of 4itbA

query
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4itbA

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active site: N130 (= N150), K153 (= K173), E227 (= E247), C261 (= C281), E358 (= E378), E435 (= E456)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: V126 (≠ I146), M127 (≠ Q147), P128 (= P148), W129 (= W149), N130 (= N150), K153 (= K173), A155 (= A175), S156 (≠ E176), A186 (≠ H206), V189 (≠ S209), G205 (= G225), S206 (= S226), A209 (= A229), S212 (≠ V232), L228 (= L248), C261 (= C281), E358 (= E378), F360 (= F380)
binding 4-oxobutanoic acid: E227 (= E247), C261 (= C281), S418 (≠ A439)

3vz3A Structural insights into substrate and cofactor selection by sp2771 (see paper)
38% identity, 95% coverage: 21:471/476 of query aligns to 2:450/453 of 3vz3A

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3vz3A

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K

D

L

I

H

S

N

R

Q

Q

L

V

K

D

E

Q

S

A

V

V

A

A

N

A

G

G

A

A

E

K

I

I

L

L

C

L

G

G

G

G

E

R

L

P

P

L

E

D

G

R

D

A

G

G

Y

Y

F

F

Y

Y

P

P

A

P

T

T

V

I

L

L

G

T

N

E

V

I

K

P

P

P

G

G

Q

A

P

K

A

I

Y

L

D

Q

D

E

E
|
E

L

L

F
|
F

G

A

P

P

V

V

A

A

S

M

L

V

I

F

K

T

A

V

K

K

D

D

N

L

Q

D

D

Q

A

A

M

I

R

A

I

L

A

A

N

N

D

D

S

I

R

P

F

F

G

G

L

L

G

G

G

A

G

S

I

A

F

W

S

T

K

N

D

D

E

P

A

A

A

E

A

Q

F

Q

E

R

L

F

A

I

K

Q

N

-

H

E

F

L

D

D

T

A

G

G

M

A

V

V

F

F

I

I

N

N

S

G

F

M

G

V

V

K

A
x
S

Q

D

P

P

N

R

M

L

P

P

F

F

G

G

G

G

V

T

K

K

A

R

S

S

G

G

Y

Y

G

G

R

R

E
|
E

H

L

G

G

G

L

F

A

G

G

V

I

K

R

E

T

F

F

V

V

N

N

E

A

K

K

A

T

I

V

active site: N130 (= N150), K153 (= K173), E227 (= E247), A261 (≠ C281), E358 (= E378), E435 (= E456)
binding nadp nicotinamide-adenine-dinucleotide phosphate: V126 (≠ I146), M127 (≠ Q147), W129 (= W149), N130 (= N150), Q135 (= Q155), R138 (= R158), K153 (= K173), A155 (= A175), S156 (≠ E176), A186 (≠ H206), V189 (≠ S209), T204 (= T224), G205 (= G225), S206 (= S226), A209 (= A229), E227 (= E247), L228 (= L248), G229 (= G249), A261 (≠ C281), F360 (= F380)
binding 4-oxobutanoic acid: F131 (= F151), W134 (≠ Y154), S260 (≠ T280), A261 (≠ C281), I262 (≠ V282), S418 (≠ A439)

4ywuA Structural insight into the substrate inhibition mechanism of NADP+- dependent succinic semialdehyde dehydrogenase from streptococcus pyogenes (see paper)
38% identity, 95% coverage: 22:471/476 of query aligns to 3:451/455 of 4ywuA

query
sites
4ywuA

Q

Q

T

T

I

I

N

Y

P

P

S

Y

T

T

G

N

Q

E

P

V

L

L

N

H

S

T

Y

F

K

D

M

N

M

M

T

T

D

D

Q

Q

E

G

A

L

S

A

E

D

A

V

V

L

K

E

A

R

T

A

H

H

Q

L

A

L

F

Y

L

K

T

K

W

W

-

R

K

K

T

E

F

D

S

H

L

L

E

E

K

E

R

R

A

K

E

A

F

Q

I

L

N

H

K

Q

I

V

G

A

E

N

S

I

L

L

S

R

K

R

H

D

K

R

D

D

Q

K

L

Y

V

A

K

E

L

I

M

M

T

T

Q

K

E

D

M

M

G

G

K

K

L

L

T

F

S

T

Q

E

G

A

E

Q

Q

G

E

E

V

V

D

D

L

L

C

C

V

A

G

D

I

I

C

A

E

D

Y

Y

T

Y

A

A

K

D

N

K

G

A

P

D

E

E

V

F

L

L

K

M

D

S

E

T

E

P

R

L

T

E

L

-

P

T

D

D

G

S

G

G

K

Q

G

A

L

Y

I

Y

T

L

N

K

A

Q

P

S

I

T

G

G

V

V

I

I

Y

L

G

A

I

V

Q

E

P

P

W

W

N
|
N

F

F

P

P

T

Y

Y

Y

Q
|
Q

V

I

I

M

R
|
R

Y

V

A

F

I

A

A

P

N

N

L

F

M

I

A

V

G

G

N

N

G

P

V

M

L

V

L

L

K
|
K

H

H

A

A

E

S

N

I

V

C

T

P

G

R

S

S

A

A

L

Q

L

S

I

F

D

E

K

E

I

L

I

V

R

L

E

E

A

A

G

G

L

A

P

E

E

A

N

G

I

S

F

I

T

T

V

N

L

L

R

F

I

I

S

S

H

Y

E

D

Q

Q

S

V

D

S

A

Q

I

V

I

I

E

A

N

D

D

K

L

R

V

V

R

V

G

G

V

V

T

C

L

L

T

T

G

G

S

S

G

E

A

R

A

G

G

G

K

A

V

S

V

I

G

A

E

E

K

E

A

A

G

G

K

K

A

N

L

L

K

K

K

K

T

T

V

T

L

L

E
|
E

L

L

G

G

S

G

N

D

D

D

A

A

Y

F

L

I

V

I

L

L

D

D

D

D

A

A

D

D

V

W

D

D

T

Q

A

L

V

E

E

K

W

V

S

L

I

Y

K

F

G

S

R

R

I

L

Y

Y

N

N

N

A

G

G

E

Q

T
x
V

C
|
C

V

T

A

S

A

S

K

K

R

R

F

F

V

I

V

V

T

L

E

D

K

K

V

D

Y

Y

D

D

E

R

F

F

K

K

E

E

K

L

F

L

V

T

A

K

G

V

M

F

K

K

E

T

I

A

K

K

F

W

G

G

D

D

P

P

A

M

D

D

D

P

T

E

V

T

D

T

I

L

G

A

P

P

M

L

A

S

R

S

K

A

D

Q

L

A

R

K

E

A

K

D

L

V

H

L

N

D

Q

Q

L

I

K

K

E

L

S

A

V

L

A

D

N

H

G

G

A

A

E

E

I

L

L

V

C

Y

G

G

G

G

E

E

L

A

P

I

E

D

G

H

D

P

G

G

Y

H

F

F

Y

V

P

M

A

P

T

T

V

I

L

I

G

A

N

G

V

L

K

T

P

K

G

D

Q

N

P

P

A

I

Y

Y

D

Y

D

Q

E
|
E

L

I

F

F

G

G

P

P

V

V

A

G

S

E

L

I

I

Y

K

K

A

V

K

S

D

S

N

E

Q

E

D

E

A

A

M

I

R

E

I

V

A

A

N

N

D

D

S

S

R

N

F

Y

G

G

L

L

G

G

G

G

G

T

I

I

F

F

S

S

K

S

D

N

E

Q

A

E

A

H

A

A

F

K

E

A

L

V

A

A

K

A

N

K

H

-

F

I

D

E

T

T

G

G

M

M

V

S

F

F

I

I

N

N

S

S

F

G

G

W

V

T

A

S

Q

L

P

P

N

E

M

L

P

P

F
|
F

G

G

G

G

V

I

K

K

A

H

S

S

G

G

Y

Y

G

G

R

R

E
|
E

H

L

G

S

G

E

F

L

G

G

V

F

K

T

E

S

F

F

V

V

N

N

E

E

K

H

A

L

I

I

active site: N131 (= N150), K154 (= K173), E228 (= E247), C262 (= C281), E359 (= E378), E436 (= E456)
binding 4-oxobutanoic acid: N131 (= N150), Q136 (= Q155), R139 (= R158), E228 (= E247), V261 (≠ T280), C262 (= C281), F425 (= F445)

4ohtA Crystal structure of succinic semialdehyde dehydrogenase from streptococcus pyogenes in complex with NADP+ as the cofactor (see paper)
38% identity, 95% coverage: 22:471/476 of query aligns to 3:451/455 of 4ohtA

query
sites
4ohtA

Q

Q

T

T

I

I

N

Y

P

P

S

Y

T

T

G

N

Q

E

P

V

L

L

N

H

S

T

Y

F

K

D

M

N

M

M

T

T

D

D

Q

Q

E

G

A

L

S

A

E

D

A

V

V

L

K

E

A

R

T

A

H

H

Q

L

A

L

F

Y

L

K

T

K

W

W

-

R

K

K

T

E

F

D

S

H

L

L

E

E

K

E

R

R

A

K

E

A

F

Q

I

L

N

H

K

Q

I

V

G

A

E

N

S

I

L

L

S

R

K

R

H

D

K

R

D

D

Q

K

L

Y

V

A

K

E

L

I

M

M

T

T

Q

K

E

D

M

M

G

G

K

K

L

L

T

F

S

T

Q

E

G

A

E

Q

Q

G

E

E

V

V

D

D

L

L

C

C

V

A

G

D

I

I

C

A

E

D

Y

Y

T

Y

A

A

K

D

N

K

G

A

P

D

E

E

V

F

L

L

K

M

D

S

E

T

E

P

R

L

T

E

L

-

P

T

D

D

G

S

G

G

K

Q

G

A

L

Y

I

Y

T

L

N

K

A

Q

P

S

I

T

G

G

V

V

I

I

Y

L

G

A

I
x
V

Q
x
E

P
|
P

W
|
W

N
|
N

F

F

P

P

T

Y

Y

Y

Q

Q

V

I

I

M

R

R

Y

V

A

F

I

A

A

P

N

N

L

F

M

I

A

V

G

G

N

N

G

P

V

M

L

V

L

L

K
|
K

H
|
H

A
|
A

E
x
S

N

I

V

C

T

P

G

R

S

S

A

A

L

Q

L

S

I

F

D

E

K

E

I

L

I

V

R

L

E

E

A

A

G

G

L

A

P

E

E

A

N

G

I

S

F

I

T

T

V

N

L

L

R

F

I

I

S

S

H
x
Y

E

D

Q

Q

S

V

D

S

A

Q

I

V

I

I

E

A

N

D

D

K

L

R

V

V

R

V

G

G

V

V

T

C

L

L

T

T

G

G

S
|
S

G

E

A

R

A

G

G

G

K

A

V

S

V
x
I

G

A

E

E

K

E

A

A

G

G

K

K

A

N

L

L

K

K

K

K

T

T

V

T

L

L

E
|
E

L

L

G

G

S

G

N

D

D

D

A

A

Y

F

L

I

V

I

L

L

D

D

D

D

A

A

D

D

V

W

D

D

T

Q

A

L

V

E

E

K

W

V

S

L

I

Y

K

F

G

S

R

R

I

L

Y

Y

N

N

N

A

G

G

E

Q

T

V

C
|
C

V

T

A

S

A

S

K

K

R

R

F

F

V

I

V

V

T

L

E

D

K

K

V

D

Y

Y

D

D

E

R

F

F

K

K

E

E

K

L

F

L

V

T

A

K

G

V

M

F

K

K

E

T

I

A

K

K

F

W

G

G

D

D

P

P

A

M

D

D

D

P

T

E

V

T

D

T

I

L

G

A

P

P

M

L

A

S

R

S

K

A

D

Q

L

A

R

K

E

A

K

D

L

V

H

L

N

D

Q

Q

L

I

K

K

E

L

S

A

V

L

A

D

N

H

G

G

A

A

E

E

I

L

L

V

C

Y

G

G

G

G

E

E

L

A

P

I

E

D

G

H

D

P

G

G

Y

H

F

F

Y

V

P

M

A

P

T

T

V

I

L

I

G

A

N

G

V

L

K

T

P

K

G

D

Q

N

P

P

A

I

Y

Y

D

Y

D

Q

E
|
E

L

I

F

F

G

G

P

P

V

V

A

G

S

E

L

I

I

Y

K

K

A

V

K

S

D

S

N

E

Q

E

D

E

A

A

M

I

R

E

I

V

A

A

N

N

D

D

S

S

R

N

F

Y

G

G

L

L

G

G

G

G

G

T

I

I

F

F

S

S

K

S

D

N

E

Q

A

E

A

H

A

A

F

K

E

A

L

V

A

A

K

A

N

K

H

-

F

I

D

E

T

T

G

G

M

M

V

S

F

F

I

I

N

N

S

S

F

G

G

W

V

T

A

S

Q

L

P

P

N

E

M

L

P

P

F

F

G

G

G

G

V

I

K

K

A

H

S

S

G

G

Y

Y

G

G

R

R

E
|
E

H

L

G

S

G

E

F

L

G

G

V

F

K

T

E

S

F

F

V

V

N

N

E

E

K

H

A

L

I

I

active site: N131 (= N150), K154 (= K173), E228 (= E247), C262 (= C281), E359 (= E378), E436 (= E456)
binding nadp nicotinamide-adenine-dinucleotide phosphate: V127 (≠ I146), E128 (≠ Q147), P129 (= P148), W130 (= W149), K154 (= K173), H155 (= H174), A156 (= A175), S157 (≠ E176), Y187 (≠ H206), S207 (= S226), I214 (≠ V233)

3jz4A Crystal structure of e. Coli NADP dependent enzyme (see paper)
34% identity, 96% coverage: 15:469/476 of query aligns to 21:475/481 of 3jz4A

query
sites
3jz4A

A

A

S

N

S

N

S

G

D

E

T

A

I

I

Q

D

T

V

I

T

N

N

P

P

S

A

T

N

G

G

Q

D

P

K

L

L

N

G

S

S

Y

V

K

P

M

K

M

M

T

G

D

A

Q

D

E

E

A

T

S

R

E

A

A

A

V

I

K

D

A

A

T

A

H

N

Q

R

A

A

F

L

L

P

T

A

W

W

K

R

T

A

F

L

S

T

L

A

E

K

K

E

R

R

A

A

E

T

F

I

I

L

N

R

K

N

I

W

G

F

E

N

S

L

L

M

S

M

K

E

H

H

K

Q

D

D

Q

D

L

L

V

A

K

R

L

L

M

M

T

T

Q

L

E

E

M

Q

G

G

K

K

L

P

T

L

S

A

Q

E

G

A

E

K

Q

G

E

E

V

I

D

S

L

Y

C

A

V

A

G

S

I

F

C

I

E

E

Y

W

T

F

A

A

K

E

N

E

G

G

P

K

E

R

V

I

L

Y

K

G

D

D

E

-

E

-

R

-

T

T

L

I

P

P

-

G

-

H

D

Q

G

A

G

D

K

K

G

R

L

L

I

I

T

V

-

I

N

K

A

Q

P

P

I

I

G

G

V

V

I

T

Y

A

G

A

I

I

Q

T

P
|
P

W
|
W

N
|
N

F

F

P

P

T

A

Y

A

Q

M

V

I

I

T

R

R

Y

K

A

A

I

G

A

P

N

A

L

L

M

A

A

A

G

G

N

C

G

T

V

M

L

V

L

L

K
|
K

H

P

A
|
A

E
x
S

N

Q

V

T

T

P

G

F

S

S

A

A

L

L

L

A

I

L

D

A

K

E

I

L

I

A

R

I

E

R

A

A

G

G

L

V

P

P

E

A

N

G

I

V

F

F

T

N

V

V

L

V

R

T

I

G

S

S

H
x
A

-

G

E

A

Q

V

S
x
G

D

N

A

E

I

L

I

T

E

S

N

N

D

P

L

L

V

V

R

R

G

K

V

L

T

S

L

F

T

T

G
|
G

S
|
S

G

T

A

E

A
x
I

G

G

K

R

V

Q

V

L

G

M

E

E

K

Q

A

C

G

A

K

K

A

D

L

I

K

K

K

K

T

V

V

S

L

L

E
|
E

L

L

G

G

S

G

N

N

D

A

A

P

Y

F

L

I

V

V

L

F

D

D

D

D

A

A

D

D

V

L

D

D

T

K

A

A

V

V

E

E

W

G

S

A

I

L

K

A

G

S

R

K

I

F

Y

R

N

N

N

A

G

G

E

Q

T

T

C
|
C

V

V

A

C

A

A

K

N

R

R

F

L

V

Y

V

V

T

Q

E

D

K

G

V

V

Y

Y

D

D

E

R

F

F

K

A

E

E

K

K

F

L

V

Q

A

Q

G

A

M

M

K

S

E

K

I

L

K

H

F

I

G

G

D

D

P

G

A

L

D

D

D

N

T

G

V

V

D

T

I

I

G

G

P

P

M

L

A

I

R

D

K

E

D

K

L

A

R

V

E

A

K
|
K

L

V

H

E

N

E

Q

H

L

I

K

A

E

D

S

A

V

L

A

E

N

K

G

G

A

A

E

R

I

V

L

V

C

C

G

G

G

G

E

K

L

A

P

H

E

E

G

R

D

G

G

G

Y

N

F

F

Y

F

P

Q

A

P

T

T

V

I

L

L

G

V

N

D

V

V

K

P

P

A

G

N

Q

A

P

K

A

V

Y

S

D

K

D

E

E
|
E

L

T

F
|
F

G

G

P

P

V

L

A

A

S

P

L

L

I

F

K

R

A

F

K

K

D

D

N

E

Q

A

D

D

A

V

M

I

R

A

I

Q

A

A

N

N

D

D

S

T

R

E

F

F

G

G

L

L

G

A

G

A

G

Y

I

F

F

Y

S

A

K

R

D

D

E

L

A

S

A

R

A

V

F

F

E

R

L

V

A

G

K

E

N

-

H

A

F

L

D

E

T

Y

G

G

M

I

V

V

F

G

I

I

N

N

S

T

F

G

G

I

V

I

A

S

Q

N

P

E

N

V

M

A

P

P

F

F

G

G

G

G

V

I

K

K

A

A

S

S

G

G

Y

L

G

G

R

R

E
|
E

H

G

G

S

G

K

F

Y

G

G

V

I

K

E

E

D

F

Y

V

L

N

E

E

I

K

K

active site: N156 (= N150), K179 (= K173), E254 (= E247), C288 (= C281), E385 (= E378), E462 (= E456)
binding nadp nicotinamide-adenine-dinucleotide phosphate: P154 (= P148), W155 (= W149), K179 (= K173), A181 (= A175), S182 (≠ E176), A212 (≠ H206), G216 (≠ S209), G232 (= G225), S233 (= S226), I236 (≠ A229), C288 (= C281), K338 (= K331), E385 (= E378), F387 (= F380)

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)
34% identity, 96% coverage: 15:469/476 of query aligns to 22:476/482 of P25526

query
sites
P25526

A

A

S

N

S

N

S

G

D

E

T

A

I

I

Q

D

T

V

I

T

N

N

P

P

S

A

T

N

G

G

Q

D

P

K

L

L

N

G

S

S

Y

V

K

P

M

K

M

M

T

G

D

A

Q

D

E

E

A

T

S

R

E

A

A

A

V

I

K

D

A

A

T

A

H

N

Q

R

A

A

F

L

L

P

T

A

W

W

K

R

T

A

F

L

S

T

L

A

E

K

K

E

R

R

A

A

E

T

F

I

I

L

N

R

K

N

I

W

G

F

E

N

S

L

L

M

S

M

K

E

H

H

K

Q

D

D

Q

D

L

L

V

A

K

R

L

L

M

M

T

T

Q

L

E

E

M

Q

G

G

K

K

L

P

T

L

S

A

Q

E

G

A

E

K

Q

G

E

E

V

I

D

S

L

Y

C

A

V

A

G

S

I

F

C

I

E

E

Y

W

T

F

A

A

K

E

N

E

G

G

P

K

E

R

V

I

L

Y

K

G

D

D

E

-

E

-

R

-

T

T

L

I

P

P

-

G

-

H

D

Q

G

A

G

D

K

K

G

R

L

L

I

I

T

V

-

I

N

K

A

Q

P

P

I

I

G

G

V

V

I

T

Y

A

G

A

I

I

Q

T

P

P

W
|
W

N
|
N

F

F

P

P

T

A

Y

A

Q

M

V

I

I

T

R

R

Y

K

A

A

I

G

A

P

N

A

L

L

M

A

A

A

G

G

N

C

G

T

V

M

L

V

L

L

K
|
K

H
x
P

A
|
A

E
x
S

N

Q

V

T

T

P

G

F

S

S

A

A

L

L

L

A

I

L

D

A

K

E

I

L

I

A

R

I

E

R

A

A

G

G

L

V

P

P

E

A

N

G

I

V

F

F

T

N

V

V

L

V

R

T

I

G

S

S

H

A

-

G

E

A

Q

V

S

G

D

N

A

E

I

L

I

T

E

S

N

N

D

P

L

L

V

V

R

R

G

K

V

L

T

S

L

F

T

T

G
|
G

S
|
S

G

T

A

E

A

I

G

G

K

R

V

Q

V

L

G

M

E

E

K

Q

A

C

G

A

K

K

A

D

L

I

K

K

K

K

T

V

V

S

L

L

E

E

L
|
L

G

G

S

G

N

N

D

A

A

P

Y

F

L

I

V

V

L

F

D

D

D

D

A

A

D

D

V

L

D

D

T

K

A

A

V

V

E

E

W

G

S

A

I

L

K

A

G

S

R

K

I

F

Y

R

N

N

N

A

G

G

E

Q

T

T

C

C

V

V

A

C

A

A

K

N

R

R

F

L

V

Y

V

V

T

Q

E

D

K

G

V

V

Y

Y

D

D

E

R

F

F

K

A

E

E

K

K

F

L

V

Q

A

Q

G

A

M

V

K

S

E

K

I

L

K

H

F

I

G

G

D

D

P

G

A

L

D

D

D

N

T

G

V

V

D

T

I

I

G

G

P

P

M

L

A

I

R

D

K

E

D

K

L

A

R

V

E

A

K

K

L

V

H

E

N

E

Q

H

L

I

K

A

E

D

S

A

V

L

A

E

N

K

G

G

A

A

E

R

I

V

L

V

C

C

G

G

G

G

E

K

L

A

P

H

E

E

G

R

D

G

G

G

Y

N

F

F

Y

F

P

Q

A

P

T

T

V

I

L

L

G

V

N

D

V

V

K

P

P

A

G

N

Q

A

P

K

A

V

Y

S

D

K

D

E

E
|
E

L

T

F

F

G

G

P

P

V

L

A

A

S

P

L

L

I

F

K

R

A

F

K

K

D

D

N

E

Q

A

D

D

A

V

M

I

R

A

I

Q

A

A

N

N

D

D

S

T

R

E

F

F

G

G

L

L

G

A

G

A

G

Y

I

F

F

Y

S

A

K

R

D

D

E

L

A

S

A

R

A

V

F

F

E

R

L

V

A

G

K

E

N

-

H

A

F

L

D

E

T

Y

G

G

M

I

V

V

F

G

I

I

N

N

S

T

F

G

G

I

V

I

A

S

Q

N

P

E

N

V

M

A

P

P

F

F

G

G

G

G

V

I

K

K

A

A

S

S

G

G

Y

L

G

G

R

R

E

E

H

G

G

S

G

K

F

Y

G

G

V

I

K

E

E

D

F

Y

V

L

N

E

E

I

K

K

WN 156:157 (= WN 149:150) binding NADP(+)
KPAS 180:183 (≠ KHAE 173:176) binding NADP(+)
GS 233:234 (= GS 225:226) binding NADP(+)
L256 (= L248) binding NADP(+)
E386 (= E378) binding NADP(+)

8of1A Structure of aldh5f1 from moss physcomitrium patens in complex with NAD+ in the contracted conformation
32% identity, 96% coverage: 15:471/476 of query aligns to 39:495/505 of 8of1A

query
sites
8of1A

A

A

S

E

S

N

S

G

D

H

T

T

I

L

Q

P

T

V

I

N

N

N

P

P

S

A

T

T

G

G

Q

E

P

I

L

L

N

T

S

S

Y

V

K

P

M

F

M

M

T

G

D

K

Q

R

E

E

A

A

S

E

E

K

A

A

V

I

K

A

A

A

T

A

H

S

Q

Q

A

A

F

F

L

T

T

S

W

W

K

S

T

K

F

R

S

T

L

A

E

N

K

D

R

R

A

S

E

K

F

I

I

L

N

R

K

Q

I

W

G

F

E

N

S

L

L

L

S

I

K

K

H

N

K

K

D

D

Q

D

L

L

V

G

K

K

L

L

M

I

T

V

Q

L

E

E

M

Q

G

G

K

K

L

P

T

L

S

A

Q

E

G

A

E

V

Q

G

E

E

V

I

D

V

L

Y

C

G

V

A

G

A

I

F

C

V

E

E

Y

Y

T

Y

A

A

K

E

N

E

G

A

P

K

E

R

V

V

L

Y

K

G

D

D

E

I

E

I

R

P

T

S

L

P

P

F

D

P

G

E

G

K

K

R

G

M

L

L

I

V

T

M

N

K

A

Q

P

P

I

V

G

G

V

V

I

V

Y

A

G

A

I
|
I

Q
x
A

P
|
P

W
|
W

N

N

F

F

P

P

T

L

Y

A

Q

M

V

I

I

T

R

R

Y

K

A

V

I

A

A

P

N

A

L

L

M

A

A

A

G

G

N

C

G

T

V

V

L

V

L

I

K
|
K

H

P

A

S

E

E

N

L

V

T

T

P

G

L

S

T

A

A

L

L

L

A

I

A

D

A

K

E

I

L

I

A

R

L

E

Q

A

A

G

G

L

I

P

P

E

P

N

G

I

V

F

V

T

N

V

V

L

V

R

M

I

G

S

D

H
x
A

E

K

Q

G

-

I

S

G

D

D

A

A

I

M

I

L

E

D

N

S

D

T

L

E

V

V

R

R

G

K

V

I

T

T

L
x
F

T

T

G
|
G

S
|
S

G

T

A

G

A
x
V

G

G

K

K

V
x
M

V

L

G

L

E

A

K

G

A

A

G

G

K

K

A

T

L

V

K

K

K

K

T

V

V

S

L

L

E

E

L
|
L

G

G

S

G

N

N

D

A

A

P

Y

C

L

I

V

V

L

F

D

D

D

D

A

A

D

N

V

L

D

D

T

V

A

A

V

V

E

K

W

G

S

V

I

L

K

A

G

G

R

K

I

Y

Y

R

N

N

N

S

G

G

E

Q

T

T

C
|
C

V

V

A

C

A

I

K

N

R

K

F

I

V

F

V

V

T

Q

E

D

K

G

V

I

Y

Y

D

D

E

K

F

F

K

A

E

E

K

A

F

F

V

A

A

K

G

A

M

V

K

S

E

G

I

L

K

R

F

A

G

G

D

N

P

G

A

L

D

E

D

P

T

G

V

I

D

T

I

Q

G

G

P

P

M

L

A

I

R

N

K

E

D

T

L

A

R

L

E

E

K
|
K

L

V

H

E

N

R

Q

H

L

V

K

Q

E

D

S

A

V

V

A

S

N

K

G

G

A

A

E

K

I

V

L

L

C

V

G

G

G

G

E

K

L

R

P

H

E

S

G

L

D

G

G

R

Y

T

F

F

Y

Y

P

E

A

P

T

T

V

I

L

L

G

G

N

N

V

A

K

S

P

D

G

E

Q

M

P

L

A

I

Y

F

D

R

D

E

E
|
E

L

V

F
|
F

G

G

P

P

V

V

A

A

S

P

L

L

I

V

K

R

A

F

K

N

D

T

N

D

Q

E

D

E

A

A

M

I

R

K

I

L

A

A

N

N

D

N

S

S

R

E

F

F

G

G

L

L

G

A

G

A

G

Y

I

A

F

F

S

T

K

E

D

N

E

I

A

T

A

R

A

G

F

W

E

R

L

V

A

A

K

E

N

S

H

-

F

L

D

E

T

F

G

G

M

M

V

V

F

G

I

L

N

N

S

E

F

G

G

L

V

I

A

S

Q

T

P

E

N

V

M

A

P

P

F

F

G

G

G

G

V

M

K

K

A

Q

S

S

G

G

Y

L

G

G

R

R

E

E

H

G

G

S

G

K

F

Y

G

G

V

L

K

D

E

E

F

Y

V

L

N

E

E

M

K

K

A

Y

I

V

binding nicotinamide-adenine-dinucleotide: I170 (= I146), A171 (≠ Q147), P172 (= P148), W173 (= W149), K197 (= K173), A230 (≠ H206), F248 (≠ L223), G250 (= G225), S251 (= S226), V254 (≠ A229), M257 (≠ V232), L273 (= L248), C306 (= C281), K356 (= K331), E403 (= E378), F405 (= F380)

8t0nA Structure of compound 4 bound to human aldh1a1 (see paper)
32% identity, 96% coverage: 17:471/476 of query aligns to 27:485/494 of 8t0nA

query
sites
8t0nA

S

S

S

G

D

K

T

K

I

F

Q

P

T

V

I

F

N

N

P

P

S

A

T

T

G

E

Q

E

P

E

L

L

N

C

S

Q

Y

V

K

E

M

E

M

G

T

D

D

K

Q

E

E

D

A

V

S

D

E

K

A

A

V

V

K

K

A

A

T

A

H

R

Q

Q

A

A

F

F

L

Q

T

I

-

G

-

S

-

P

W

W

K

R

T

T

F

M

S

D

L

A

E

S

K

E

R

R

A

G

E

R

F

L

I

L

N

Y

K

K

I

L

G

A

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M

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G

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Y

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I

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x
I

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P

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W

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N

F

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x
V

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K

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A

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I

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binding nicotinamide-adenine-dinucleotide: I159 (= I146), I160 (≠ Q147), P161 (= P148), W162 (= W149), N163 (= N150), K186 (= K173), E189 (= E176), G219 (≠ H206), G223 (≠ D210), A224 (= A211), F237 (≠ L223), T238 (= T224), G239 (= G225), S240 (= S226), V243 (≠ A229), E262 (= E247), G264 (= G249), C296 (= C281), Q343 (≠ L328), K346 (= K331), E393 (= E378), F395 (= F380)
binding 2-methoxy-6-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenol: S114 (≠ Q100), G118 (≠ L104), T122 (≠ I108), V167 (≠ Y154), W171 (≠ R158), V453 (≠ A439), S454 (≠ Q440), A455 (≠ P441)

7jwwA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
32% identity, 96% coverage: 17:471/476 of query aligns to 27:485/494 of 7jwwA

query
sites
7jwwA

S

S

S

G

D

K

T

K

I

F

Q

P

T

V

I

F

N

N

P

P

S

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|
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|
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|
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|
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|
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