SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_010531948.1 NCBI__GCF_000224785.1:WP_010531948.1 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)

P42412 Malonate-semialdehyde dehydrogenase; MSA dehydrogenase; Methylmalonate-semialdehyde dehydrogenase; MMSA dehydrogenase; MMSDH; MSDH; EC 1.2.1.27 from Bacillus subtilis (strain 168) (see 3 papers)
71% identity, 98% coverage: 10:487/488 of query aligns to 6:481/487 of P42412

query
sites
P42412

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C36 (≠ A40) mutation to A: No effect at either the structural or enzymatic levels; when associated with A-160; A-287; A-351 and A-413.
R107 (= R111) mutation to L: At least 50-fold decrease of the second-order rate constant for the acylation step.
A150 (≠ T154) binding NAD(+)
F152 (= F156) binding NAD(+)
C160 (= C164) mutation to A: No effect at either the structural or enzymatic levels; when associated with A-36; A-287; A-351 and A-413.
K176 (= K180) binding NAD(+)
E179 (= E183) binding NAD(+)
R180 (= R184) binding NAD(+)
S229 (= S233) binding NAD(+)
T251 (≠ S255) binding NAD(+)
R283 (= R287) mutation to L: At least 50-fold decrease of the second-order rate constant for the acylation step.
C287 (≠ A291) mutation to A: No effect at either the structural or enzymatic levels; when associated with A-36; A-160; A-351 and A-413.
C351 (≠ R355) mutation to A: No effect at either the structural or enzymatic levels; when associated with A-36; A-160; A-287 and A-413.
E382 (= E388) binding NAD(+)
C413 (= C419) mutation to A: No effect at either the structural or enzymatic levels; when associated with A-36; A-160; A-287 and A-351.

1t90A Crystal structure of methylmalonate semialdehyde dehydrogenase from bacillus subtilis
71% identity, 98% coverage: 10:487/488 of query aligns to 4:479/484 of 1t90A

query
sites
1t90A

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active site: N151 (= N157), K174 (= K180), L248 (= L254), C282 (= C288), E380 (= E388), A460 (= A468)
binding nicotinamide-adenine-dinucleotide: I147 (= I153), A148 (≠ T154), P149 (= P155), F150 (= F156), N151 (= N157), W159 (= W165), K174 (= K180), E177 (= E183), R178 (= R184), H207 (= H213), V225 (= V231), G226 (= G232), S227 (= S233), V230 (= V236), L248 (= L254), T249 (≠ S255), C282 (= C288), E380 (= E388), F382 (= F390)

4zz7A Crystal structure of methylmalonate-semialdehyde dehydrogenase (dddc) from oceanimonas doudoroffii (see paper)
48% identity, 98% coverage: 11:487/488 of query aligns to 4:481/489 of 4zz7A

query
sites
4zz7A

L

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G

G

S

S

A

S

G

G

E

E

R

R

C
|
C

M

M

A

A

A

L

S

S

V

V

-

A

V

V

A

A

V

V

E

G

E

D

S

A

V

A

A

G

D

D

E

A

F

L

I

V

D

S

Q

K

L

M

I

T

K

Q

K

A

A

M

N

Q

E

K

I

L

N

K

I

V

G

G

N

P

G

S

L

T

D

D

E

S

D

G

V

N

F

D

L

F

G

G

P

P

V

V

I

I

R

T

E

R

Q

Q

H

H

K

Q

E

E

R

K

T

V

L

I

G

G

Y

Y

I

I

E

N

T

S

G

A

E

E

N

Q

E

Q

G

G

A

A

K

T

L

I

I

V

R

V

D

D

G

G

R

R

E

Q

D

P

G

K

N

V

A

P

-

N

Q

H

E

E

K

N

G

G

Y

F

F

F

V

V

G

G

P

G

T

T

I

L

F

I

D

D

N

H

V

V

T

T

T

P

E

E

M

M

K

T

I

S

W

Y

Q

Q

E

E

E
|
E

I

I

F
|
F

A

G

P

P

V

V

L

L

S

Q

I

V

V

V

R

R

V

V

K

A

D

T

L

M

D

Q

E

D

A

A

I

M

D

D

V

L

T

I

N

D

Q

A

S

H

P

E

F

Y

A

G

N

N

G

G

S

T

C

C

L

I

F

F

T

T

R

R

D

D

G

G

G

E

S

A

V

A

R

R

Q

Y

F

F

R

S

E

D

N

N

I

I

D

Q

A

V

G

G

M

M

L

V

G

G

I

I

N

N

I

I

G

P

V

L

P

P

A

V

P

P

M

V

A

A

F

Y

F

H

P

S

F

F

S

G

G

G

W

W

K

K

D

R

S

S

F

L

Y

F

G

G

D

D

L

L

H

H

A
|
A

N

Y

G

G

K

P

D

D

S

A

V

V

E

R

F

F

Y

Y

T

T

R

K

K

R

K

K

V

T

M

V

T

T

T

Q

R

R

W

W

active site: N149 (= N157), K172 (= K180), L246 (= L254), C280 (= C288), E382 (= E388), A462 (= A468)
binding nicotinamide-adenine-dinucleotide: T146 (= T154), P147 (= P155), F148 (= F156), N149 (= N157), K172 (= K180), E175 (= E183), K205 (≠ H213), V208 (= V216), F222 (= F230), V223 (= V231), G224 (= G232), S225 (= S233), I228 (≠ V236), L246 (= L254), G247 (≠ S255), C280 (= C288), E382 (= E388), F384 (= F390)

5tjrD X-ray crystal structure of a methylmalonate semialdehyde dehydrogenase from pseudomonas sp. Aac (see paper)
45% identity, 98% coverage: 11:487/488 of query aligns to 3:455/468 of 5tjrD

query
sites
5tjrD

L

I

K

K

N

H

Y

L

I

I

G

G

K

E

W

L

I

I

E

-

A

A

K

D

S

T

D

G

K

R

T

T

E

A

S

D

V

V

I

F

N

N

P

P

A

S

T

T

G

-

E

-

V

-

I

-

A

R

E

K

V

V

P

P

I

L

S

A

S

D

N

R

E

E

D

T

V

M

D

Q

H

Q

A

A

V

I

E

D

V

A

A

A

H

K

E

A

A

A

F

F

Q

P

D

A

W

W

K

R

E

N

L

T

A

P

V

P

P

A

K

K

R

R

A

A

R

Q

I

V

L

L

F

F

K

R

Y

F

Q

K

Q

Q

L

L

V

E

D

A

H

N

W

E

D

E

E

R

L

I

A

V

E

K

L

L

I

I

T

S

I

E

E

E

N

H

G

G

K

K

N

T

L

I

K

E

E

D

A

A

K

A

G

G

E

E

V

L

Q

K

R

R

G

G

I

I

E

E

N

N

V

V

E

E

F

Y

A

A

A

T

G

A

A

A

P

P

N

E

L

I

M

L

M

K

G

G

D

E

Q

Y

L

S

S

R

S

N

I

V

A

G

S

P

G

N

L

I

E

D

S

A

G

W

V

S

Y

D

R

F

Y

Q

P

P

I

I

G

G

V

V

G

A

G

G

I
|
I

T
|
T

P

P

F
|
F

N
|
N

F

F

P

P

M

A

M

M

V

V

P

P

C

L

W

W

M

M

F

Y

P

P

M

L

A

A

I

I

A

A

T

C

G

G

N

N

T

T

F

F

I

I

M

L

K
|
K

P

P

S

S

E
|
E

R

R

T

D

P

P

L

S

A

T

N

L

R

L

L

I

A

A

E

E

L

L

L

F

E

H

E

E

A

A

G

G

L

L

P

P

E

K

G

G

V

V

F

L

N

N

I

V

V

V

H

H

G

G

A

D

H
x
K

D

G

V

A

V

V

N

D

G

A

L

L

L

I

D

E

H

A

D

P

K

E

V

V

A

K

A

A

I

L

S

S

F
|
F

V

V

G

G

S
|
S

Q

T

P

P

V
x
I

A

A

E

E

H

Y

V

I

Y

Y

K

S

R

E

G

G

T

T

D

K

N

R

L

G

K

K

R

R

V

V

Q

Q

A

A

L
|
L

S

G

G

G

A

A

K

K

N

N

H

H

T

A

I

V

V

L

L

M

N

P

D

D

A

A

N

D

M

L

D

D

N

N

A

A

S

V

T

S

Q

A

I

L

L

M

N

G

A

A

F

Y

G

G

S

-

A

-

G

-

E

-

R

-

C
|
C

M

M

A

A

A

I

S

S

V

V

-

A

V

V

A

C

V

V

E

G

E

D

S

Q

V

I

A

A

D

D

E

A

F

L

I

V

D

Q

Q

K

L

L

I

V

K

P

K

Q

A

I

N

K

E

G

I

-

N

-

I

-

G

-

N

-

G

-

L

-

D

-

E

-

D

-

V

-

F

-

L

-

G

-

P

-

V

-

I

L

R

K

E

G

Q

A

H

A

K

R

E

D

R

K

T

V

L

T

G

G

Y

Y

I

I

E

D

T

T

G

G

E

V

N

A

E

Q

G

G

A

A

K

E

L

L

I

V

R

V

D

D

G

G

R

R

E

G

D

Y

G

K

N

V

A

A

-

G

Q

H

E

E

K

N

G

G

Y

F

F

F

V

L

G

G

P

G

T

T

I

L

F

F

D

D

N

R

V

V

T

T

T

P

E

E

M

M

K

T

I

I

W

Y

Q

K

E

E

E
|
E

I

I

F

F

A

G

P

P

V

V

L

L

S

C

I

I

V

V

R

R

V

V

K

N

D

S

L

L

D

E

E

E

A

A

I

M

D

Q

V

L

T

I

N

N

Q

D

S

H

P

E

F

Y

A

G

N

N

G

G

S

T

C

C

L

I

F

F

T

T

R

R

D

D

G

G

G

E

S

A

V

A

R

R

Q

L

F

F

R

C

E

D

N

E

I

I

D

E

A

V

G

G

M

M

L

V

G

G

I

V

N

N

I

V

G

P

V

L

P

P

A

V

P

P

M

V

A

A

F

Y

F

H

P

S

F

F

S

G

G

G

W

W

K

K

D

R

S

S

F

L

Y

F

G

G

D

D

L

L

H

H

A
|
A

N

Y

G

G

K

P

D

D

S

G

V

V

E

R

F

F

Y

Y

T

T

R

K

K

R

K

K

V

A

M

I

T

T

T

Q

R

R

W

W

active site: N144 (= N157), K167 (= K180), L241 (= L254), C270 (= C288), E356 (= E388), A436 (= A468)
binding adenosine-5'-diphosphate: I140 (= I153), T141 (= T154), F143 (= F156), K167 (= K180), E170 (= E183), K200 (≠ H213), F217 (= F230), S220 (= S233), I223 (≠ V236)

4iymC Crystal structure of putative methylmalonate-semialdehyde dehydrogenase from sinorhizobium meliloti 1021 complexed with NAD, target 011934
44% identity, 99% coverage: 5:487/488 of query aligns to 1:485/491 of 4iymC

query
sites
4iymC

Q

Q

T

S

K

M

S

M

E

Y

Q

E

L

L

K

G

N

H

Y

F

I

I

G

D

G

G

K

K

W

R

I

V

E

A

A

G

K

T

S

S

D

G

K

R

T

V

E

S

S

N

V

I

I

F

N

N

P

P

A

A

T

T

G

G

E

E

V

V

I

Q

A

G

E

T

V

V

P

A

I

L

S

A

S

S

N

D

E

A

D

D

V

L

D

A

H

A

A

A

V

V

E

E

V

S

A

A

H

K

E

A

A

A

F

Q

Q

P

D

K

W

W

K

A

E

A

L

T

A

N

V

P

P

Q

K

R

R

R

A

A

R

R

I

V

L

F

F

M

K

K

Y

F

Q

V

Q

Q

L

L

V

N

D

D

H

N

W

M

D

N

E

E

L

L

A

A

E

E

L

M

I

L

T

S

I

R

E

E

N

H

G

G

K

K

N

T

L

I

K

D

E

D

A

A

K

K

G

G

E

D

V

I

Q

V

R

R

G

G

I

L

E

E

N

V

V

C

E

E

F

F

A

V

A

I

G

G

A

I

P

P

N

H

L

L

M

Q

M

K

G

S

D

E

Q

F

L

T

S

E

S

G

I

A

A

G

S

P

G

G

L

I

E

D

S

M

G

Y

V

S

Y

I

R

R

Y

Q

P

P

I

V

G

G

V

I

V

G

G

A

G

G

I
|
I

T
|
T

P
|
P

F
|
F

N
|
N

F
|
F

P

P

M

G

M

M

V

I

P

P

C

M

W

W

M

M

F

F

P

A

M

P

A

A

I

I

A

A

T

C

G

G

N

N

T

A

F

F

I

I

M

L

K
|
K

P

P

S

S

E

E

R

R

T

D

P

P

L

S

L

V

A

P

N

I

R

R

L

L

A

A

E

E

L

L

L

M

E

I

E

E

A

A

G

G

L

L

P

P

E

A

G

G

V

I

F

L

N

N

I

V

V

V

H

N

G

G

A

D

H
x
K

D

G

V

A

V
|
V

N

D

G

A

L

I

L

L

D

T

H

H

D

P

K

D

V

I

A

A

I

V

S

S

F
|
F

V
|
V

G
|
G

S
|
S

Q

T

P

P

V
x
I

A

A

E

R

H

Y

V

V

Y

Y

K

G

R

T

G

A

T

A

D

M

N

N

L

G

K

K

R

R

V

A

Q

Q

A

C

L
x
F

S
x
G

G

G

A

A

K

K

N

N

H

H

T

M

I

I

V

I

L

M

N

P

D

D

A

A

N

D

M

L

D

D

N

Q

A

A

S

A

T

N

Q

A

I

L

L

I

N

G

A

A

A

G

F

Y

G

G

S

S

A

A

G

G

E

E

R

R

C
|
C

M

M

A

A

A

I

S

S

V

V

-

A

V

V

A

P

V

V

E

G

E

E

S

E

V

T

A

A

D

N

E

R

F

L

I

I

D

D

Q

K

L

L

I

V

K

P

K

M

A

V

N

E

E

S

I

L

N

R

I

I

G

G

N

P

G

Y

L

T

D

D

E

E

D

K

V

A

F

D

L

M

G

G

P

P

V

V

I

V

R

T

E

K

Q

E

H

A

K

E

E

Q

R

R

T

I

L

R

G

S

Y

L

I

I

E

D

T

S

G

G

E

I

N

E

E

Q

G

G

A

A

K

K

L

L

I

V

R

V

D

D

G

G

R

R

E

D

-

F

D

K

G

L

N

Q

A

G

Q

Y

E

E

K

N

G

G

Y

H

F

F

V

I

G

G

P

G

T

C

I

L

F

F

D

D

N

D

V

V

T

T

T

P

E

D

M

M

K

D

I

I

W

Y

Q

K

E

T

E
|
E

I

I

F
|
F

A

G

P

P

V

V

L

L

S

S

I

V

V

V

R

R

V

A

K

R

D

N

L

Y

D

E

E

E

A

A

I

L

D

S

V

L

T

P

N

M

Q

K

S

H

P

E

F

Y

A

G

N

N

G

G

S

V

C

A

L

I

F

Y

T

T

R

R

D

D

G

G

G

D

S

A

V

A

R

R

Q

D

F

F

R

A

E

S

N

R

I

I

D

N

A

I

G

G

M

M

L

V

G

G

I

V

N

N

I

V

G

P

V

I

P

P

A

V

P

P

M

L

A

A

F

Y

F

H

P

S

F

F

S

G

G

G

W

W

K

K

D

S

S

S

F

S

Y

F

G

G

D

D

L

L

H

N

A
x
Q

N

H

G

G

K

T

D

D

S

S

V

I

E

K

F

F

Y

W

T

T

R

R

K

T

K

K

V

T

M

I

T

T

T

S

R

R

W

W

active site: N153 (= N157), K176 (= K180), F250 (≠ L254), C284 (= C288), E386 (= E388), Q466 (≠ A468)
binding nicotinamide-adenine-dinucleotide: I149 (= I153), T150 (= T154), P151 (= P155), F152 (= F156), N153 (= N157), F154 (= F158), K176 (= K180), K209 (≠ H213), V212 (= V216), F226 (= F230), V227 (= V231), G228 (= G232), S229 (= S233), I232 (≠ V236), G251 (≠ S255), C284 (= C288), E386 (= E388), F388 (= F390)

2d4eC Crystal structure of the hpcc from thermus thermophilus hb8
33% identity, 98% coverage: 5:483/488 of query aligns to 21:501/515 of 2d4eC

query
sites
2d4eC

Q

R

T

L

K

K

S

E

E

R

Q

P

L

A

K

L

N

H

Y

F

I

I

G

A

G

G

K

E

W

F

I

V

E

P

A

S

K

E

S

S

D

G

K

E

T

T

E

F

S

P

V

S

I

L

N

D

P

P

A

A

T

T

G

N

E

E

V

V

I

L

A

G

E

V

V

A

P

A

I

R

S

G

N

E

E

R

D

E

V

V

D

D

H

R

A

A

V

A

E

K

V

A

A

A

H

H

E

E

A

A

F

F

Q

Q

D

R

W

W

K

S

E

R

L

T

A

K

V

A

P

K

K

E

R

R

A

K

R

R

I

Y

L

L

F

L

K

R

Y

I

Q

A

Q

E

L

L

L

I

V

E

D

K

H

H

W

A

D

D

E

E

L

L

A

A

E

V

L

M

I

E

T

C

I

L

E

D

N

A

G

G

K

Q

N

V

L

L

K

R

E

I

A

V

K

R

G

A

E

Q

V

V

Q

A

R

R

G

A

I

A

E

E

N

N

V

F

E

A

F

F

A

Y

A

A

G

E

A

Y

P

A

N

E

L

H

M

A

M

M

G

E

D

D

Q

R

L

T

S

F

S

P

I

V

A

D

S

R

G

D

L

W

E

L

S

Y

G

Y

V

T

Y

V

R

R

Y

V

P

P

I

A

G

G

V

P

V

V

G

G

G

I

I
|
I

T
|
T

P
|
P

F
x
W

N
|
N

F

A

P

P

M

L

M

M

V

L

P

S

C

T

W

W

M

R

F

I

P

A

M

P

A

A

I

L

A

A

T

F

G

G

N

N

T

T

F

V

I

V

M

L

K
|
K

P

P

S
x
A

E

E

R

W

T

S

P

P

L

F

L

T

A

A

N

T

R

K

L

L

A

A

E

E

L

I

L

L

E

K

E

E

A

A

G

D

L

L

P

P

E

P

G

G

V

V

F

F

N

N

I

L

V

V

H

Q

G

G

-

F

A
x
G

H

E

D

E

V

A

V
x
G

N
x
A

G

A

L

L

L

V

D

A

H

H

D

P

K

L

V

V

A

P

A

L

I

L

S

T

F

L

V
x
T

G
|
G

S
x
E

Q

T

P

E

V
x
T

A

G

E

K

H

I

V

V

Y

M

K

R

R

N

G

A

T

A

D

D

N

H

L

L

K

K

R

R

V

L

Q

S

A

P

L
x
E

S
x
L

G

G

A

G

K

K

N

S

H

P

T

A

I

L

V

V

L

F

N

A

D

D

A

A

N

D

M

L

D

E

N

R

A

A

S

L

T

D

Q

A

I

V

L

V

N

F

A

Q

A

I

F

F

G

S

S

F

A

N

G

G

E

E

R

R

C
|
C

M

T

A

A

A

S

S

S

V

R

V

L

A

L

V

V

E

E

S

K

V

I

A

F

D

E

E

D

F

F

I

V

D

G

Q

K

L

V

I

V

K

E

K

R

A

A

N

R

E

A

I

I

N

R

I

V

G

G

N

H

G

P

L

L

D

D

E

P

D

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V

T

F

E

L

V

G

G

P

P

V

L

I

I

R

H

E

P

Q

E

H

H

K

L

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Q

R

R

T

V

L

L

G

G

Y

Y

I

V

E

E

T

A

G

G

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K

N

R

E

E

G

G

A

A

K

R

L

L

I

L

R

V

D

G

G

G

R

E

E

R

-

A

-

K

-

T

-

S

-

F

D

R

G

G

N

E

A

D

Q

L

E

S

K

R

G

G

Y

N

F

Y

V

L

G

L

P

P

T

T

I

V

F

F

D

V

N

G

V

-

T

E

T

N

E

H

M

M

K

K

I

I

W

A

Q

Q

E

E

E
|
E

I

I

F
|
F

A

G

P

P

V

V

L

L

S

V

I

A

V

I

R

P

V

F

K

K

D

D

L

E

D

E

E

E

A

A

I

L

D

R

V

K

T

A

N

N

Q

D

S

T

P

K

F

Y

A

G

N

L

G

A

S

A

C

Y

L

V

F

F

T

T

R

R

D

D

G

L

G

E

S

R

V

A

R

H

Q

R

F

L

R

A

E

L

N

E

I

L

D

E

A

A

G

G

M

M

L

V

G

Y

I

L

N

N

I

S

-

H

-

N

-

V

-

R

G

H

V

L

P

P

A

T

P

-

M

-

A

-

F

-

P

P

F
|
F

S

G

G

G

W

V

K

K

D

G

S

S

F

-

Y

-

G

G

D

D

L

R

H

R

A
x
E

N

G

G

G

K

T

D

Y

S

A

V

L

E

D

F

F

Y

Y

T

T

R

D

K

L

K

K

V

T

M

I

active site: N173 (= N157), K196 (= K180), E271 (≠ L254), C305 (= C288), E409 (= E388), E486 (≠ A468)
binding nicotinamide-adenine-dinucleotide: I169 (= I153), T170 (= T154), P171 (= P155), W172 (≠ F156), K196 (= K180), A198 (≠ S182), G229 (≠ A212), G233 (≠ V216), A234 (≠ N217), T248 (≠ V231), G249 (= G232), E250 (≠ S233), T253 (≠ V236), E271 (≠ L254), L272 (≠ S255), C305 (= C288), E409 (= E388), F411 (= F390), F475 (= F455)

7radA Crystal structure analysis of aldh1b1
36% identity, 97% coverage: 14:486/488 of query aligns to 16:487/493 of 7radA

query
sites
7radA

Y

F

I

I

G

N

K

E

W

W

I

Q

E

D

A

A

K

V

S

S

D

K

K

K

T

T

E

F

S

P

V

T

I

V

N

N

P

P

A

T

T

T

G

G

E

E

V

V

I

I

A

G

E

H

V

V

P

A

I

E

S

G

S

D

N

R

E

A

D

D

V

V

D

D

H

R

A

A

V

V

E

K

V

A

A

A

H

R

E

E

A

A

F

F

Q

R

-

L

-

G

-

S

D

P

W

W

K

R

E

R

L

M

A

D

V

A

P

S

K

E

R

R

A

G

R

R

I

L

L

L

F

N

K

R

Y

L

Q

A

Q

D

L

L

L

V

V

E

D

R

H

D

W

R

D

V

E

Y

L

L

A

A

E

S

L

L

I

E

T

T

I

L

E

D

N

N

G

G

K

K

N

P

L

F

K

Q

E

E

A

S

K

Y

G

A

-
x
L

E

D

V

L

Q

D

R
x
E

G

V

I

I

E

K

N

V

V

Y

E

R

F

Y

A

F

A

A

G

G

A

W

P

A

N

D

L

K

M

W

M

H

G

G

D

K

Q

T

L

I

S

P

S

-

I

-

A

M

S

D

G

G

L

Q

E

H

S

F

G

C

V

F

Y

T

R

R

Y

H

-

E

P

P

I

V

G

G

V

V

V

C

G

G

G

Q

I
|
I

T
x
I

P
|
P

F
x
W

N
|
N

F
|
F

P

P

M

L

M

V

V
x
M

P

Q

C

G

W

W

M

K

F

L

P

A

M

P

A

A

I

L

A

A

T

T

G

G

N

N

T

T

F

V

I

V

M

M

K
|
K

P

V

S

A

E
|
E

R

Q

T

T

P

P

L

L

L

S

A

A

N

L

R

Y

L

L

A

A

E

S

L

L

L

I

E

K

E

E

A

A

G

G

L

F

P

P

E

P

G

G

V

V

F

V

N

N

I

I

V

I

H

T

G

G

A

Y

H
x
G

D

P

V

T

V

A

N
x
G

G
x
A

L

A

L

I

-

A

D

Q

H

H

D

M

K

D

V

V

A

D

A

K

I

V

S

A

F

F

V
x
T

G
|
G

S
|
S

Q

T

P

E

V
|
V

A

G

E

H

H

L

V

I

Y

Q

K

K

R

A

G

A

T

G

D

D

-

S

N

N

L

L

K

K

R

R

V

V

Q

T

A

L

L
x
E

S
x
L

G

G

A

G

K

K

N

S

H

P

T

S

I

I

V

V

L

L

N

A

D

D

A

A

N

D

M

M

D

E

N

H

A

A

S

V

T

E

Q

Q

I

C

L

H

N
x
E

A

A

A

L

F

F

G
x
F

S

N

A

M

G

G

E

Q

R

C

C
|
C

M

C

A

A

A

G

S

S

V

R

V

T

A

F

V

V

E

E

S

S

V

I

A

Y

D

N

E

E

F

F

I

L

D

E

Q

R

L

T

I

V

K

E

K

K

A

A

N

K

E

Q

I

R

N

K

I

V

G

G

N

N

G

P

L

F

D

E

E

L

D

D

V

T

F

Q

L

Q

G

G

P

P

V

Q

I

V

R

D

E

K

Q

E

H

Q

K

F

E

E

R

R

T

V

L

L

G

G

Y

Y

I

I

E

Q

T

L

G

G

E

Q

N

K

E

E

G

G

A

A

K

K

L

L

I

L

R

C

D

G

G

G

R

E

E

R

D

F

G

G

N

-

A

-

Q

-

E

E

K

R

G

G

Y

F

F

F

V

I

G

K

P

P

T

T

I

V

F

F

D

G

N

G

V

V

T

Q

T

D

E

D

M

M

K

R

I

I

W

A

Q

K

E

E

E
|
E

I

I

F
|
F

A

G

P

P

V

V

L

Q

S

P

I

L

V

F

R

K

V

F

K

K

D

K

L

I

D

E

E

E

A

V

I

V

D

E

V

R

T

A

N

N

Q

N

S

T

P

R

F

Y

A

G

N

L

G

A

S

A

C

A

L

V

F

F

T

T

R

R

D

D

G

L

G

D

S

K

V

A

R

M

Q

Y

F

F

R

T

E

Q

N

A

I

L

D

Q

A

A

G

G

M

T

L

V

G

W

I

V

N

N

I

T

G

-

V

Y

P
x
N

A

I

P
x
V

M

T

A

C

F

H

F

T

P

P

F

F

S

G

G

G

W

F

K

K

D

E

S

S

F

-

Y

-

G

G

D

N

L

G

H

R

A

E

N

L

G

G

K

E

D

D

S

G

V

L

E

K

F

A

Y

Y

T

T

R

E

K

V

K

K

V

T

M

V

T

T

T

I

R

K

binding nicotinamide-adenine-dinucleotide: I158 (= I153), I159 (≠ T154), P160 (= P155), W161 (≠ F156), N162 (= N157), M167 (≠ V162), K185 (= K180), E188 (= E183), G218 (≠ H213), G222 (≠ N217), A223 (≠ G218), T237 (≠ V231), G238 (= G232), S239 (= S233), V242 (= V236), E261 (≠ L254), L262 (≠ S255), C295 (= C288), E392 (= E388), F394 (= F390)
binding 3-(2-methoxyphenyl)-1-(4-phenylphenyl)-6,7,8,9-tetrahydro-5~{H}-imidazo[1,2-a][1,3]diazepine: L113 (vs. gap), E117 (≠ R111), F163 (= F158), E285 (≠ N278), F289 (≠ G282), N450 (≠ P447), V452 (≠ P449)

7mjdA Crystal structure analysis of aldh1b1
36% identity, 97% coverage: 14:486/488 of query aligns to 16:487/493 of 7mjdA

query
sites
7mjdA

Y

F

I

I

G

N

K

E

W

W

I

Q

E

D

A

A

K

V

S

S

D

K

K

K

T

T

E

F

S

P

V

T

I

V

N

N

P

P

A

T

T

T

G

G

E

E

V

V

I

I

A

G

E

H

V

V

P

A

I

E

S

G

S

D

N

R

E

A

D

D

V

V

D

D

H

R

A

A

V

V

E

K

V

A

A

A

H

R

E

E

A

A

F

F

Q

R

-

L

-

G

-

S

D

P

W

W

K

R

E

R

L

M

A

D

V

A

P

S

K

E

R

R

A

G

R

R

I

L

L

L

F

N

K

R

Y

L

Q

A

Q

D

L

L

L

V

V

E

D

R

H

D

W

R

D

V

E

Y

L

L

A

A

E

S

L

L

I

E

T

T

I

L

E

D

N

N

G

G

K

K

N

P

L

F

K

Q

E

E

A

S

K

Y

G

A

-

L

E

D

V

L

Q

D

R
x
E

G

V

I

I

E

K

N

V

V

Y

E

R

F

Y

A

F

A

A

G

G

A

W

P

A

N

D

L

K

M

W

M

H

G

G

D

K

Q

T

L

I

S

P

S

-

I

-

A

M

S

D

G

G

L

Q

E

H

S

F

G

C

V

F

Y

T

R

R

Y

H

-

E

P

P

I

V

G

G

V

V

V

C

G

G

G

Q

I
|
I

T
x
I

P
|
P

F
x
W

N
|
N

F

F

P

P

M

L

M

V

V
x
M

P

Q

C

G

W

W

M

K

F

L

P

A

M

P

A

A

I

L

A

A

T

T

G

G

N

N

T

T

F

V

I

V

M

M

K
|
K

P

V

S

A

E
|
E

R

Q

T

T

P

P

L

L

L

S

A

A

N

L

R

Y

L

L

A

A

E

S

L

L

L

I

E

K

E

E

A

A

G

G

L

F

P

P

E

P

G

G

V

V

F

V

N

N

I

I

V

I

H

T

G

G

A

Y

H
x
G

D

P

V

T

V

A

N
x
G

G

A

L

A

L

I

-

A

D

Q

H

H

D

M

K

D

V

V

A

D

A

K

I

V

S

A

F
|
F

V
x
T

G
|
G

S
|
S

Q

T

P

E

V
|
V

A

G

E

H

H

L

V

I

Y

Q

K

K

R

A

G

A

T

G

D

D

-

S

N

N

L

L

K

K

R

R

V

V

Q

T

A

L

L
x
E

S
x
L

G

G

A

G

K

K

N

S

H

P

T

S

I

I

V

V

L

L

N

A

D

D

A

A

N

D

M

M

D

E

N

H

A

A

S

V

T

E

Q

Q

I

C

L

H

N
x
E

A

A

A

L

F

F

G
x
F

S

N

A

M

G

G

E

Q

R

C

C
|
C

M

C

A

A

A

G

S

S

V

R

V

T

A

F

V

V

E

E

S

S

V

I

A

Y

D

N

E

E

F

F

I

L

D

E

Q

R

L

T

I

V

K

E

K

K

A

A

N

K

E

Q

I

R

N

K

I

V

G

G

N

N

G

P

L

F

D

E

E

L

D

D

V

T

F

Q

L

Q

G

G

P

P

V

Q

I

V

R

D

E

K

Q

E

H

Q

K

F

E

E

R

R

T

V

L

L

G

G

Y

Y

I

I

E

Q

T

L

G

G

E

Q

N

K

E

E

G

G

A

A

K

K

L

L

I

L

R

C

D

G

G

G

R

E

E

R

D

F

G

G

N

-

A

-

Q

-

E

E

K

R

G

G

Y

F

F

F

V

I

G

K

P

P

T

T

I

V

F

F

D

G

N

G

V

V

T

Q

T

D

E

D

M

M

K

R

I

I

W

A

Q

K

E

E

E
|
E

I

I

F
|
F

A

G

P

P

V

V

L

Q

S

P

I

L

V

F

R

K

V

F

K

K

D

K

L

I

D

E

E

E

A

V

I

V

D

E

V

R

T

A

N

N

Q

N

S

T

P

R

F

Y

A

G

N

L

G

A

S

A

C

A

L

V

F

F

T

T

R

R

D

D

G

L

G

D

S

K

V

A

R

M

Q

Y

F

F

R

T

E

Q

N

A

I

L

D

Q

A

A

G

G

M

T

L

V

G

W

I

V

N

N

I

T

G

-

V

Y

P
x
N

A

I

P
x
V

M

T

A

C

F

H

F

T

P

P

F

F

S

G

G

G

W

F

K

K

D

E

S

S

F

-

Y

-

G

G

D

N

L

G

H

R

A

E

N

L

G

G

K

E

D

D

S

G

V

L

E

K

F

A

Y

Y

T

T

R

E

K

V

K

K

V

T

M

V

T

T

T

I

R

K

binding nicotinamide-adenine-dinucleotide: I158 (= I153), I159 (≠ T154), P160 (= P155), W161 (≠ F156), N162 (= N157), M167 (≠ V162), K185 (= K180), E188 (= E183), G218 (≠ H213), G222 (≠ N217), F236 (= F230), T237 (≠ V231), G238 (= G232), S239 (= S233), V242 (= V236), E261 (≠ L254), L262 (≠ S255), C295 (= C288), E392 (= E388), F394 (= F390)
binding 8-(2-methoxyphenyl)-10-(4-phenylphenyl)-1$l^{4},8-diazabicyclo[5.3.0]deca-1(7),9-diene: E117 (≠ R111), E285 (≠ N278), F289 (≠ G282), N450 (≠ P447), V452 (≠ P449)

7mjcA Crystal structure analysis of aldh1b1
36% identity, 97% coverage: 14:486/488 of query aligns to 16:487/493 of 7mjcA

query
sites
7mjcA

Y

F

I

I

G

N

K

E

W

W

I

Q

E

D

A

A

K

V

S

S

D

K

K

K

T

T

E

F

S

P

V

T

I

V

N

N

P

P

A

T

T

T

G

G

E

E

V

V

I

I

A

G

E

H

V

V

P

A

I

E

S

G

S

D

N

R

E

A

D

D

V

V

D

D

H

R

A

A

V

V

E

K

V

A

A

A

H

R

E

E

A

A

F

F

Q

R

-

L

-

G

-

S

D

P

W

W

K

R

E

R

L

M

A

D

V

A

P

S

K

E

R

R

A

G

R

R

I

L

L

L

F

N

K

R

Y

L

Q

A

Q

D

L

L

L

V

V

E

D

R

H

D

W

R

D

V

E

Y

L

L

A

A

E

S

L

L

I

E

T

T

I

L

E

D

N

N

G

G

K

K

N

P

L

F

K

Q

E

E

A

S

K

Y

G

A

-

L

E

D

V

L

Q

D

R

E

G

V

I

I

E

K

N

V

V

Y

E

R

F

Y

A

F

A

A

G

G

A

W

P

A

N

D

L

K

M

W

M

H

G

G

D

K

Q

T

L

I

S

P

S

-

I

-

A

M

S

D

G

G

L

Q

E

H

S

F

G

C

V

F

Y

T

R

R

Y

H

-

E

P

P

I

V

G

G

V

V

V

C

G

G

G

Q

I
|
I

T
x
I

P
|
P

F
x
W

N
|
N

F

F

P

P

M

L

M

V

V

M

P

Q

C

G

W

W

M

K

F

L

P

A

M

P

A

A

I

L

A

A

T

T

G

G

N

N

T

T

F

V

I

V

M

M

K
|
K

P

V

S

A

E
|
E

R

Q

T

T

P

P

L

L

L

S

A

A

N

L

R

Y

L

L

A

A

E

S

L

L

L

I

E

K

E

E

A

A

G

G

L

F

P

P

E

P

G

G

V

V

F

V

N

N

I

I

V

I

H

T

G

G

A

Y

H
x
G

D

P

V

T

V

A

N
x
G

G

A

L

A

L

I

-

A

D

Q

H

H

D

M

K

D

V

V

A

D

A

K

I

V

S

A

F

F

V
x
T

G
|
G

S
|
S

Q

T

P

E

V
|
V

A

G

E

H

H

L

V

I

Y

Q

K

K

R

A

G

A

T

G

D

D

-

S

N

N

L

L

K

K

R

R

V

V

Q

T

A

L

L
x
E

S
x
L

G

G

A

G

K

K

N

S

H

P

T

S

I

I

V

V

L

L

N

A

D

D

A

A

N

D

M

M

D

E

N

H

A

A

S

V

T

E

Q

Q

I

C

L

H

N

E

A

A

A

L

F

F

G

F

S

N

A

M

G

G

E

Q

R

C

C
|
C

M

C

A

A

A

G

S

S

V

R

V

T

A

F

V

V

E

E

S

S

V

I

A

Y

D

N

E

E

F

F

I

L

D

E

Q

R

L

T

I

V

K

E

K

K

A

A

N

K

E

Q

I

R

N

K

I

V

G

G

N

N

G

P

L

F

D

E

E

L

D

D

V

T

F

Q

L

Q

G

G

P

P

V

Q

I

V

R

D

E

K

Q

E

H

Q

K

F

E

E

R

R

T

V

L

L

G

G

Y

Y

I

I

E

Q

T

L

G

G

E

Q

N

K

E

E

G

G

A

A

K

K

L

L

I

L

R

C

D

G

G

G

R

E

E

R

D

F

G

G

N

-

A

-

Q

-

E

E

K

R

G

G

Y

F

F

F

V

I

G

K

P

P

T

T

I

V

F

F

D

G

N

G

V

V

T

Q

T

D

E

D

M

M

K

R

I

I

W

A

Q

K

E

E

E
|
E

I

I

F
|
F

A

G

P

P

V

V

L

Q

S

P

I

L

V

F

R

K

V

F

K

K

D

K

L

I

D

E

E

E

A

V

I

V

D

E

V

R

T

A

N

N

Q

N

S

T

P

R

F

Y

A

G

N

L

G

A

S

A

C

A

L

V

F

F

T

T

R

R

D

D

G

L

G

D

S

K

V

A

R

M

Q

Y

F

F

R

T

E

Q

N

A

I

L

D

Q

A

A

G

G

M

T

L

V

G

W

I

V

N

N

I

T

G

-

V

Y

P

N

A

I

P

V

M

T

A

C

F

H

F

T

P

P

F

F

S

G

G

G

W

F

K

K

D

E

S

S

F

-

Y

-

G

G

D

N

L

G

H

R

A

E

N

L

G

G

K

E

D

D

S

G

V

L

E

K

F

A

Y

Y

T

T

R

E

K

V

K

K

V

T

M

V

T

T

T

I

R

K

binding nicotinamide-adenine-dinucleotide: I158 (= I153), I159 (≠ T154), P160 (= P155), W161 (≠ F156), N162 (= N157), K185 (= K180), E188 (= E183), G218 (≠ H213), G222 (≠ N217), T237 (≠ V231), G238 (= G232), S239 (= S233), V242 (= V236), E261 (≠ L254), L262 (≠ S255), C295 (= C288), E392 (= E388), F394 (= F390)

4cazA Crystal structure of betaine aldehyde dehydrogenase from pseudomonas aeruginosa in complex with nadh
36% identity, 97% coverage: 9:481/488 of query aligns to 4:476/489 of 4cazA

query
sites
4cazA

E

E

Q

E

L

Q

K

K

N

L

Y

Y

I

I

G

G

K

R

W

Y

I

V

E

E

A

A

K

S

S

S

D

G

K

A

T

T

E

F

S

E

V

T

I

I

N

N

P

P

A

A

T

N

G

G

E

E

V

V

I

L

A

A

E

K

V

V

P

Q

I

R

S

A

S

S

N

R

E

E

D

D

V

V

D

E

H

R

A

A

V

V

E

Q

V

S

A

A

H

V

E

E

A

G

F

Q

Q

K

D

V

W

W