SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_010439837.1 NCBI__GCF_000192475.1:WP_010439837.1 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)

4iymC Crystal structure of putative methylmalonate-semialdehyde dehydrogenase from sinorhizobium meliloti 1021 complexed with NAD, target 011934
71% identity, 98% coverage: 1:489/499 of query aligns to 4:491/491 of 4iymC

query
sites
4iymC

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active site: N153 (= N150), K176 (= K173), F250 (= F247), C284 (= C281), E386 (= E384), Q466 (= Q464)
binding nicotinamide-adenine-dinucleotide: I149 (= I146), T150 (≠ M147), P151 (= P148), F152 (= F149), N153 (= N150), F154 (= F151), K176 (= K173), K209 (= K206), V212 (= V209), F226 (= F223), V227 (= V224), G228 (= G225), S229 (= S226), I232 (= I229), G251 (= G248), C284 (= C281), E386 (= E384), F388 (= F386)

4zz7A Crystal structure of methylmalonate-semialdehyde dehydrogenase (dddc) from oceanimonas doudoroffii (see paper)
55% identity, 98% coverage: 1:490/499 of query aligns to 1:489/489 of 4zz7A

query
sites
4zz7A

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active site: N149 (= N150), K172 (= K173), L246 (≠ F247), C280 (= C281), E382 (= E384), A462 (≠ Q464)
binding nicotinamide-adenine-dinucleotide: T146 (≠ M147), P147 (= P148), F148 (= F149), N149 (= N150), K172 (= K173), E175 (= E176), K205 (= K206), V208 (= V209), F222 (= F223), V223 (= V224), G224 (= G225), S225 (= S226), I228 (= I229), L246 (≠ F247), G247 (= G248), C280 (= C281), E382 (= E384), F384 (= F386)

5tjrD X-ray crystal structure of a methylmalonate semialdehyde dehydrogenase from pseudomonas sp. Aac (see paper)
54% identity, 99% coverage: 4:495/499 of query aligns to 3:468/468 of 5tjrD

query
sites
5tjrD

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V

M

G

G

A

A

G

A

F

Y

G

G

A

-

G

-

E

-

R

-

C
|
C

M

M

A

A

I

I

S

S

V

V

A

A

V

V

P

C

V

V

G

G

E

D

E

Q

T

I

A

A

D

D

A

A

L

L

I

V

E

Q

K

K

L

L

I

V

P

P

R

Q

V

I

E

K

K

G

L

L

K

K

V

-

G

-

P

-

Y

-

T

-

A

-

G

-

D

-

V

-

D

-

M

-

G

-

P

-

V

-

T

-

A

G

A

A

K

R

E

D

R

K

I

V

L

T

G

G

L

Y

I

I

N

D

S

T

G

G

V

V

E

A

Q

Q

G

G

A

A

K

E

L

L

V

V

D

D

N

G

R

R

D

G

F

Y

S

K

L

V

Q

A

G

G

Y

H

E

E

D

N

G

G

F

F

V

L

G

G

P

G

H

T

L

L

F

F

D

D

N

R

V

V

T

T

P

P

D

E

M

M

D

T

I

I

Y

Y

K

K

Q

E

E
|
E

I

I

F

F

G

G

P

P

V

V

L

L

S

C

T

I

V

V

R

R

A

V

G

N

S

S

Y

L

E

E

A

A

L

M

K

Q

L

L

A

I

M

N

D

D

H

H

E

E

Y

Y

G

G

N

N

G

G

T

T

A

C

I

I

F

F

T

T

R

R

D

D

G

G

D

E

T

A

A

A

R

R

D

L

F

F

A

C

S

D

R

E

I

I

N

E

I

V

G

G

M

M

V

V

G

G

I

V

N

N

V

V

P

P

I

L

P

P

V

V

P

P

L

V

A

A

Y

Y

H

H

T

S

F

F

G

G

W

W

K

K

K

R

S

S

M

L

F

F

G

G

D

D

L

L

N

H

Q
x
A

H

Y

G

G

P

P

D

D

S

G

F

V

K

R

F

F

Y

Y

S

T

R

K

T

R

K

K

T

A

V

I

T

T

S

Q

R

R

W

W

P

P

S

Q

-

R

G

K

I

S

K

H

E

E

G

A

E

Q

F

F

N

A

F

F

active site: N144 (= N150), K167 (= K173), L241 (≠ F247), C270 (= C281), E356 (= E384), A436 (≠ Q464)
binding adenosine-5'-diphosphate: I140 (= I146), T141 (≠ M147), F143 (= F149), K167 (= K173), E170 (= E176), K200 (= K206), F217 (= F223), S220 (= S226), I223 (= I229)

1t90A Crystal structure of methylmalonate semialdehyde dehydrogenase from bacillus subtilis
43% identity, 97% coverage: 1:485/499 of query aligns to 2:481/484 of 1t90A

query
sites
1t90A

M

I

Q

R

N

K

L

L

T

K

H

N

F

Y

I

I

N

N

G

G

E

E

H

W

V

V

A

E

G

S

T

K

S

T

G

D

R

Q

F

Y

D

E

D

D

V

V

F

V

N

N

P

P

A

A

T

T

G

K

E

E

V

V

Q

L

Y

C

Q

Q

C

V

P

P

M

I

A

S

S

T

V

K

A

E

E

D

T

I

T

D

A

Y

A

A

I

A

E

Q

D

T

A

A

A

E

A

A

Q

F

V

K

A

T

W

W

G

S

A

K

T

V

N

A

P

V

Q

P

K

R

R

R

A

A

R

R

V

I

L

L

M

F

A

N

M

F

V

Q

G

Q

L

L

M

L

N

S

R

Q

D

H

M

K

D

E

K

E

L

L

A

A

E

H

A

L

L

I

S

T

R

I

E

E

H

N

G

G

K

K

T

N

I

T

P

K

D

E

A

A

K

L

G

G

D

E

L

V

Q

G

R

R

G

G

L

I

E

E

V

N

I

V

E

E

Y

F

C

A

I

A

G

G

A

A

P

P

Q

S

M

L

L

M

K

M

G

G

E

D

F

S

T

L

D

A

S

S

A

I

G

A

P

T

G

D

I

V

D

E

M

A

Y

A

S

N

M

Y

R

R

Q

Y

P

P

L

I

G

G

V

V

A

G

S

G

I
|
I

M
x
A

P
|
P

F
|
F

N
|
N

F

F

P

P

A

M

M

M

M

V

P

P

L

C

W
|
W

H

M

V

F

G

P

P

M

A

A

L

I

A

A

C

L

G

G

N

N

A

T

V

F

V

I

L

L

K
|
K

P

P

S

S

E
|
E

R
|
R

D

T

P

P

S

L

V

L

P

T

L

E

M

K

L

L

A

V

E

E

L

L

F

F

V

E

E

K

A

A

G

G

L

L

P

P

K

K

G

G

V

V

F

F

Q

N

V

V

N

Y

G

G

D

A

K
x
H

E

D

A

V

V

V

D

N

T

G

L

I

L

L

D

E

S

H

E

P

I

E

I

I

Q

K

G

A

V

I

S

S

F

F

V
|
V

G
|
G

S
|
S

T

K

P

P

I
x
V

A

G

Q

E

Y

Y

I

V

Y

Y

A

K

R

K

A

G

T

S

A

E

N

N

G

L

K

K

R

R

A

V

Q

Q

C

S

F
x
L

G
x
T

G

G

A

A

K

K

N

N

H

H

M

T

I

I

V

V

M

L

P

N

D

D

A

A

D

N

L

L

D

E

Q

D

A

T

A

V

D

T

A

N

L

I

V

V

G

G

A

A

G

A

F

F

G

G

A

S

A

A

G

G

E

E

R

R

C
|
C

M

M

A

A

I

C

S

A

V

V

A

-

V

V

P

T

V

V

G

E

E

E

E

G

T

I

A

A

D

D

A

E

L

F

I

M

E

A

K

K

L

L

I

Q

P

E

R

K

V

V

E

A

K

D

L

I

K

K

V

I

G

G

P

N

Y

-

T

G

A

L

G

D

D

D

D

G

V

V

D

F

M

L

G

G

P

P

V

V

V

I

T

R

A

E

A

D

A

N

K

K

E

K

R

R

I

T

L

L

G

S

L

Y

I

I

N

E

S

K

G

G

V

L

E

E

Q

E

G

G

A

A

K

R

L

L

V

V

V

C

D

D

N

G

R

R

D

E

F

-

S

-

L

-

Q

N

G

V

Y

S

E

D

D

D

G

G

F

Y

F

F

V

V

G

G

P

P

H

T

L

I

F

F

D

D

N

N

V

V

T

T

P

T

D

E

M

M

D

T

I

I

Y

W

K

K

Q

D

E
|
E

I

I

F
|
F

G

A

P

P

V

V

L

L

S

S

T

V

V

I

R

R

A

V

G

K

S

N

Y

L

E

K

E

E

A

A

L

I

K

E

L

I

A

A

M

N

D

K

H

S

E

E

Y

F

G

A

N

N

G

G

T

A

A

C

I

L

F

F

T

T

R

S

D

N

G

S

D

N

T

A

A

I

R

R

D

Y

F

F

A

R

S

E

R

N

I

I

N

D

I

A

G

G

M

M

V

L

G

G

I

I

N

N

V

L

P

G

I

V

P

P

V

A

P

P

L

M

A

A

Y

F

H

F

T

P

F

F

G

S

G

G

W

W

K

K

K

S

S

S

M

F

F

F

G

G

D

T

L

L

N

H

Q
x
A

H

N

G

G

P

K

D

D

S

S

F

V

K

D

F

F

Y

Y

S

T

R

R

T

K

K

K

T

V

V

V

T

T

S

A

R

R

W

Y

P

P

S

A

active site: N151 (= N150), K174 (= K173), L248 (≠ F247), C282 (= C281), E380 (= E384), A460 (≠ Q464)
binding nicotinamide-adenine-dinucleotide: I147 (= I146), A148 (≠ M147), P149 (= P148), F150 (= F149), N151 (= N150), W159 (= W158), K174 (= K173), E177 (= E176), R178 (= R177), H207 (≠ K206), V225 (= V224), G226 (= G225), S227 (= S226), V230 (≠ I229), L248 (≠ F247), T249 (≠ G248), C282 (= C281), E380 (= E384), F382 (= F386)

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)
43% identity, 97% coverage: 1:485/499 of query aligns to 4:483/487 of P42412

query
sites
P42412

M

I

Q

R

N

K

L

L

T

K

H

N

F

Y

I

I

N

N

G

G

E

E

H

W

V

V

A

E

G

S

T

K

S

T

G

D

R

Q

F

Y

D

E

D

D

V

V

F

V

N

N

P

P

A

A

T

T

G

K

E

E

V

V

Q

L

Y
x
C

Q

Q

C

V

P

P

M

I

A

S

S

T

V

K

A

E

E

D

T

I

T

D

A

Y

A

A

I

A

E

Q

D

T

A

A

A

E

A

A

Q

F

V

K

A

T

W

W

G

S

A

K

T

V

N

A

P

V

Q

P

K

R

R

R

A

A

R

R

V

I

L

L

M

F

A

N

M

F

V

Q

G

Q

L

L

M

L

N

S

R

Q

D

H

M

K

D

E

K

E

L

L

A

A

E

H

A

L

L

I

S

T

R

I

E

E

H

N

G

G

K

K

T

N

I

T

P

K

D

E

A

A

K

L

G

G

D

E

L

V

Q

G

R
|
R

G

G

L

I

E

E

V

N

I

V

E

E

Y

F

C

A

I

A

G

G

A

A

P

P

Q

S

M

L

L

M

K

M

G

G

E

D

F

S

T

L

D

A

S

S

A

I

G

A

P

T

G

D

I

V

D

E

M

A

Y

A

S

N

M

Y

R

R

Q

Y

P

P

L

I

G

G

V

V

A

G

S

G

I

I

M
x
A

P

P

F
|
F

N

N

F

F

P

P

A

M

M

M

M

V

P

P

L
x
C

W

W

H

M

V

F

G

P

P

M

A

A

L

I

A

A

C

L

G

G

N

N

A

T

V

F

V

I

L

L

K
|
K

P

P

S

S

E
|
E

R
|
R

D

T

P

P

S

L

V

L

P

T

L

E

M

K

L

L

A

V

E

E

L

L

F

F

V

E

E

K

A

A

G

G

L

L

P

P

K

K

G

G

V

V

F

F

Q

N

V

V

N

Y

G

G

D

A

K

H

E

D

A

V

V

V

D

N

T

G

L

I

L

L

D

E

S

H

E

P

I

E

I

I

Q

K

G

A

V

I

S

S

F

F

V

V

G

G

S
|
S

T

K

P

P

I

V

A

G

Q

E

Y

Y

I

V

Y

Y

A

K

R

K

A

G

T

S

A

E

N

N

G

L

K

K

R

R

A

V

Q

Q

C

S

F

L

G
x
T

G

G

A

A

K

K

N

N

H

H

M

T

I

I

V

V

M

L

P

N

D

D

A

A

D

N

L

L

D

E

Q

D

A

T

A

V

D

T

A

N

L

I

V

V

G

G

A

A

G

A

F

F

G

G

A

S

A

A

G

G

E

E

R
|
R

C

C

M

M

A

A

I
x
C

S

A

V

V

A

-

V

V

P

T

V

V

G

E

E

E

E

G

T

I

A

A

D

D

A

E

L

F

I

M

E

A

K

K

L

L

I

Q

P

E

R

K

V

V

E

A

K

D

L

I

K

K

V

I

G

G

P

N

Y

-

T

G

A

L

G

D

D

D

D

G

V

V

D

F

M

L

G

G

P

P

V

V

V

I

T

R

A

E

A

D

A

N

K

K

E

K

R

R

I

T

L

L

G

S

L

Y

I

I

N

E

S

K

G

G

V

L

E

E

Q

E

G

G

A

A

K

R

L

L

V

V

V
x
C

D

D

N

G

R

R

D

E

F

-

S

-

L

-

Q

N

G

V

Y

S

E

D

D

D

G

G

F

Y

F

F

V

V

G

G

P

P

H

T

L

I

F

F

D

D

N

N

V

V

T

T

P

T

D

E

M

M

D

T

I

I

Y

W

K

K

Q

D

E
|
E

I

I

F

F

G

A

P

P

V

V

L

L

S

S

T

V

V

I

R

R

A

V

G

K

S

N

Y

L

E

K

E

E

A

A

L

I

K

E

L

I

A

A

M

N

D

K

H

S

E

E

Y

F

G

A

N

N

G

G

T

A

A
x
C

I

L

F

F

T

T

R

S

D

N

G

S

D

N

T

A

A

I

R

R

D

Y

F

F

A

R

S

E

R

N

I

I

N

D

I

A

G

G

M

M

V

L

G

G

I

I

N

N

V

L

P

G

I

V

P

P

V

A

P

P

L

M

A

A

Y

F

H

F

T

P

F

F

G

S

G

G

W

W

K

K

K

S

S

S

M

F

F

F

G

G

D

T

L

L

N

H

Q

A

H

N

G

G

P

K

D

D

S

S

F

V

K

D

F

F

Y

Y

S

T

R

R

T

K

K

K

T

V

V

V

T

T

S

A

R

R

W

Y

P

P

S

A

C36 (≠ Y33) 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 (= R104) mutation to L: At least 50-fold decrease of the second-order rate constant for the acylation step.
A150 (≠ M147) binding NAD(+)
F152 (= F149) binding NAD(+)
C160 (≠ L157) 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 (= K173) binding NAD(+)
E179 (= E176) binding NAD(+)
R180 (= R177) binding NAD(+)
S229 (= S226) binding NAD(+)
T251 (≠ G248) binding NAD(+)
R283 (= R280) mutation to L: At least 50-fold decrease of the second-order rate constant for the acylation step.
C287 (≠ I284) 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 (≠ V350) 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 (= E384) binding NAD(+)
C413 (≠ A415) mutation to A: No effect at either the structural or enzymatic levels; when associated with A-36; A-160; A-287 and A-351.

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)
33% identity, 95% coverage: 7:479/499 of query aligns to 10:479/490 of Q9HTJ1

query
sites
Q9HTJ1

F

Y

I

I

N

G

G

G

E

R

H

Y

V

V

A

E

G

A

T

S

S

S

G

G

R

A

F

T

D

F

D

E

V

T

F

I

N

N

P

P

A

A

T

N

G

G

E

E

V

V

Q

L

Y

A

Q

K

C

V

P

Q

M

R

A

A

S

S

V

R

A

E

E

D

T

V

T

E

A

R

A

A

I

V

E

Q

D

S

A

A

A

V

A

E

A

G

Q

Q

V

K

A

V

W

W

G

A

A

A

T

M

N

T

P

A

Q

M

K

Q

R

R

A

S

R

R

V

I

L

L

M

R

A

R

M

A

V

V

G

D

L

I

M

L

N

R

R

E

D

R

M

N

D

D

K

E

L

L

A

A

E

A

A

L

L

E

S

T

R

L

E

D

H

T

G

G

K

K

T

P

I

L

P

A

D

E

A

T

K

R

G

S

-

V

D

D

L

I

Q

V

R

T

G

G

L

A

E

D

V

V

I

L

E

E

Y

Y

C

Y

I

A

G

G

A

L

P

V

Q

P

M

A

L

I

K

E

G

G

E

E

F

Q

T

I

D

P

S

L

A

R

G

E

P

T

G

S

I

F

D

-

M

V

Y

Y

S

T

M

R

R

R

Q

E

P

P

L

L

G

G

V

V

A

A

S

G

I

I

M
x
G

P
x
A

F
x
W

N
|
N

F

Y

P

P

A

V

M

Q

M

I

P

A

L

L

W

W

H
x
K

V

S

G

A

P

P

A

A

L

L

A

A

C

A

G

G

N

N

A

A

V

M

V

I

L

F

K
|
K

P
|
P

S
|
S

E
|
E

R

V

D

T

P

P

S

L

V

T

P

A

L

L

M

K

L

L

A

A

E

E

L

I

F

Y

V

T

E

E

A

A

G

G

L

V

P

P

K

D

G

G

V

V

F

F

Q

N

V

V

V

L

N

T

G

G

D

S

-
x
G

K

R

E

E

A

V

V

G

D

Q

T

W

L

L

L

T

D

E

S

H

E

P

I

L

I

I

Q

E

G

K

V

I

S

S

F

F

V

T

G

G

S
x
G

T
|
T

P
x
S

I
x
T

A

G

Q

K

Y

K

I

V

Y

M

A

A

R

S

A

A

T

S

A

S

N

S

G

S

-

L

K

K

R

E

A

V

Q

T

C

M

F
x
E

G

L

G

G

A

G

K

K

N

S

H

P

M

L

I

I

V

I

M

F

P

P

D

D

A

A

D

D

L

L

D

D

Q

R

A

A

D

D

A

I

L

A

V

V

G

M

A

A

G

N

F

F

G

F

A

S

G

G

E

Q

R

V

C
|
C

M

T

A

N

I

-

S

G

V

T

A

R

V

V

P

F

V

I

G

H

E

R

E

S

T

Q

A

Q

D

A

A

R

L

F

I

E

E

A

K

K

L

V

I

L

P

E

R

R

V

V

E

Q

K

R

L

I

K

R

V

L

G

G

P

D

Y

-

T

P

A

Q

G

D

D

E

D

N

V

T

D

N

M

F

G

G

P

P

V

L

V

V

T

S

A

F

A

P

A

H

K

M

E

E

R

S

I

V

L

L

G

G

L

Y

I

I

N

E

S

S

G

G

V

K

E

A

Q

Q

G

K

A

A

K

R

L

L

V

L

V

C

D

G

N

G

R

E

D

R

F

V

S

T

L

D

Q

G

G

A

Y

F

E

G

D

K

G

G

F

A

F

Y

V

V

G

A

P

P

H

T

L

V

F

F

D

T

N

D

V

C

T

R

P

D

D

D

M

M

D

T

I

I

Y

V

K

R

Q

E

E
|
E

I

I

F

F

G

G

P

P

V

V

L

M

S

S

T

I

V

L

R

V

A

Y

G

D

S

D

Y

E

E

D

E

E

A

A

L

I

K

R

L

R

A

A

M

N

D

D

H

T

E

E

Y

Y

G

G

N

L

G

A

T

A

A

G

I

V

F

V

T

T

R

Q

D

D

G

L

D

A

T

R

A

A

R

H

D

R

F

A

A

I

S

H

R

R

I

L

N

E

I

A

G

G

M

I

V

C

G

W

I

I

N

N

V

T

P

W

I

G

P

E

V

S

P

P

L

-

A

A

Y

E

H

M

T

P

F

V

G

G

W

Y

K

K

K

Q

S

S

M

G

F

V

G

G

D

-

L

-

N

R

Q
x
E

H

N

G

G

P

L

D

T

S

T

F

L

K

A

F

H

Y

Y

S

T

R

R

T

I

K

K

T

S

V

V

GAWN 150:153 (≠ MPFN 147:150) binding NADPH
K162 (≠ H159) active site, Charge relay system
KPSE 176:179 (= KPSE 173:176) binding NADPH
G209 (vs. gap) binding NADPH
GTST 230:233 (≠ STPI 226:229) binding NADPH
E252 (≠ F247) active site, Proton acceptor
C286 (= C281) binding covalent; modified: Cysteine sulfenic acid (-SOH)
E387 (= E384) binding NADPH
E464 (≠ Q464) active site, Charge relay system

4cazA Crystal structure of betaine aldehyde dehydrogenase from pseudomonas aeruginosa in complex with nadh
33% identity, 95% coverage: 7:479/499 of query aligns to 9:478/489 of 4cazA

query
sites
4cazA

F

Y

I

I

N

G

G

G

E

R

H

Y

V

V

A

E

G

A

T

S

S

S

G

G

R

A

F

T

D

F

D

E

V

T

F

I

N

N

P

P

A

A

T

N

G

G

E

E

V

V

Q

L

Y

A

Q

K

C

V

P

Q

M

R

A

A

S

S

V

R

A

E

E

D

T

V

T

E

A

R

A

A

I

V

E

Q

D

S

A

A

A

V

A

E

A

G

Q

Q

V

K

A

V

W

W

G

A

A

A

T

M

N

T

P

A

Q

M

K

Q

R

R

A

S

R

R

V

I

L

L

M

R

A

R

M

A

V

V

G

D

L

I

M

L

N

R

R

E

D

R

M

N

D

D

K

E

L

L

A

A

E

A

A

L

L

E

S

T

R

L

E

D

H

T

G

G

K

K

T

P

I

L

P

A

D

E

A

T

K

R

G

S

-

V

D

D

L

I

Q

V

R

T

G

G

L

A

E

D

V

V

I

L

E

E

Y

Y

C

Y

I

A

G

G

A

L

P

V

Q

P

M

A

L

I

K

E

G

G

E

E

F

Q

T

I

D

P

S

L

A

R

G

E

P

T

G

S

I

F

D

-

M

V

Y

Y

S

T

M

R

R

R

Q

E

P

P

L

L

G

G

V

V

A

A

S

G

I
|
I

M
x
G

P

A

F
x
W

N
|
N

F

Y

P

P

A

V

M

Q

M

I

P

A

L

L

W

W

H

K

V

S

G

A

P

P

A

A

L

L

A

A

C

A

G

G

N

N

A

A

V

M

V

I

L

F

K
|
K

P

P

S

S

E
|
E

R

V

D

T

P

P

S

L

V

T

P

A

L

L

M

K

L

L

A

A

E

E

L

I

F

Y

V

T

E

E

A

A

G

G

L

V

P

P

K

D

G

G

V

V

F

F

Q

N

V

V

V

L

N

T

G

G

D

S

-
x
G

K

R

E

E

A

V

V
x
G

D

Q

T

W

L

L

L

T

D

E

S

H

E

P

I

L

I

I

Q

E

G

K

V

I

S

S

F
|
F

V
x
T

G
|
G

S
x
G

T

T

P

S

I
x
T

A

G

Q

K

Y

K

I
x
V

Y

M

A

A

R

S

A

A

T

S

A

S

N

S

G

S

-

L

K

K

R

E

A

V

Q

T

C

M

F
x
E

G
x
L

G

G

A

G

K

K

N

S

H

P

M

L

I

I

V

I

M

F

P

P

D

D

A

A

D

D

L

L

D

D

Q

R

A

A

D

D

A

I

L

A

V

V

G

M

A

A

G

N

F

F

G

F

A

S

G

G

E

Q

R

V

C
|
C

M

T

A

N

I

-

S

G

V

T

A

R

V

V

P

F

V

I

G

H

E

R

E

S

T

Q

A

Q

D

A

A

R

L

F

I

E

E

A

K

K

L

V

I

L

P

E

R

R

V

V

E

Q

K

R

L

I

K

R

V

L

G

G

P

D

Y

-

T

P

A

Q

G

D

D

E

D

N

V

T

D

N

M

F

G

G

P

P

V

L

V

V

T

S

A

F

A

P

A

H

K

M

E

E

R

S

I

V

L

L

G

G

L

Y

I

I

N

E

S

S

G

G

V

K

E

A

Q

Q

G

K

A

A

K

R

L

L

V

L

V

C

D

G

N

G

R

E

D

R

F

V

S

T

L

D

Q

G

G

A

Y

F

E

G

D

K

G

G

F

A

F

Y

V

V

G

A

P

P

H

T

L

V

F

F

D

T

N

D

V

C

T

R

P

D

D

D

M

M

D

T

I

I

Y

V

K

R

Q

E

E
|
E

I

I

F
|
F

G

G

P

P

V

V

L

M

S

S

T

I

V

L

R

V

A

Y

G

D

S

D

Y

E

E

D

E

E

A

A

L

I

K

R

L

R

A

A

M

N

D

D

H

T

E

E

Y

Y

G

G

N

L

G

A

T

A

A

G

I

V

F

V

T

T

R

Q

D

D

G

L

D

A

T

R

A

A

R

H

D

R

F

A

A

I

S

H

R

R

I

L

N

E

I

A

G

G

M

I

V

C

G

W

I

I

N

N

V

T

P

W

I

G

P

E

V

S

P

P

L

-

A

A

Y

E

H

M

T

P

F

V

G

G

W

Y

K

K

K

Q

S

S

M

G

F

V

G

G

D

-

L

-

N

R

Q
x
E

H

N

G

G

P

L

D

T

S

T

F

L

K

A

F

H

Y

Y

S

T

R

R

T

I

K

K

T

S

V

V

active site: N152 (= N150), K175 (= K173), E251 (≠ F247), C285 (= C281), E386 (= E384), E463 (≠ Q464)
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 (= I146), G149 (≠ M147), W151 (≠ F149), N152 (= N150), K175 (= K173), E178 (= E176), G208 (vs. gap), G212 (≠ V209), F226 (= F223), T227 (≠ V224), G228 (= G225), G229 (≠ S226), T232 (≠ I229), V236 (≠ I233), E251 (≠ F247), L252 (≠ G248), C285 (= C281), E386 (= E384), F388 (= F386)

2woxA Betaine aldehyde dehydrogenase from pseudomonas aeruginosa with NAD(p) h-catalytic thiol adduct. (see paper)
33% identity, 95% coverage: 7:479/499 of query aligns to 9:478/489 of 2woxA

query
sites
2woxA

F

Y

I

I

N

G

G

G

E

R

H

Y

V

V

A

E

G

A

T

S

S

S

G

G

R

A

F

T

D

F

D

E

V

T

F

I

N

N

P

P

A

A

T

N

G

G

E

E

V

V

Q

L

Y

A

Q

K

C

V

P

Q

M

R

A

A

S

S

V

R

A

E

E

D

T

V

T

E

A

R

A

A

I

V

E

Q

D

S

A

A

A

V

A

E

A

G

Q

Q

V

K

A

V

W

W

G

A

A

A

T

M

N

T

P

A

Q

M

K

Q

R

R

A

S

R

R

V

I

L

L

M

R

A

R

M

A

V

V

G

D

L

I

M

L

N

R

R

E

D

R

M

N

D

D

K

E

L

L

A

A

E

A

A

L

L

E

S

T

R

L

E

D

H

T

G

G

K

K

T

P

I

L

P

A

D

E

A

T

K

R

G

S

-

V

D

D

L

I

Q

V

R

T

G

G

L

A

E

D

V

V

I

L

E

E

Y

Y

C

Y

I

A

G

G

A

L

P

V

Q

P

M

A

L

I

K

E

G

G

E

E

F

Q

T

I

D

P

S

L

A

R

G

E

P

T

G

S

I

F

D

-

M

V

Y

Y

S

T

M

R

R

R

Q

E

P

P

L

L

G

G

V

V

A

A

S

G

I
|
I

M
x
G

P

A

F
x
W

N
|
N

F

Y

P

P

A

V

M

Q

M

I

P

A

L

L

W

W

H

K

V

S

G

A

P

P

A

A

L

L

A

A

C

A

G

G

N

N

A

A

V

M

V

I

L

F

K
|
K

P

P

S
|
S

E
|
E

R

V

D

T

P

P

S

L

V

T

P

A

L

L

M

K

L

L

A

A

E

E

L

I

F

Y

V

T

E

E

A

A

G

G

L

V

P

P

K

D

G

G

V

V

F

F

Q

N

V

V

V

L

N

T

G

G

D

S

-
x
G

K

R

E

E

A

V

V
x
G

D

Q

T

W

L

L

L

T

D

E

S

H

E

P

I

L

I

I

Q

E

G

K

V

I

S

S

F
|
F

V
x
T

G
|
G

S
x
G

T

T

P

S

I
x
T

A

G

Q

K

Y

K

I
x
V

Y

M

A

A

R

S

A

A

T

S

A

S

N

S

G

S

-

L

K

K

R

E

A

V

Q

T

C

M

F
x
E

G
x
L

G

G

A

G

K

K

N

S

H

P

M

L

I

I

V

I

M

F

P

P

D

D

A

A

D

D

L

L

D

D

Q

R

A

A

D

D

A

I

L

A

V

V

G

M

A

A

G

N

F

F

G

F

A

S

G

G

E

Q

R

V

C
|
C

M

T

A

N

I

-

S

G

V

T

A

R

V

V

P

F

V

I

G

H

E

R

E

S

T

Q

A

Q

D

A

A

R

L

F

I

E

E

A

K

K

L

V

I

L

P

E

R

R

V

V

E

Q

K

R

L

I

K

R

V

L

G

G

P

D

Y

-

T

P

A

Q

G

D

D

E

D

N

V

T

D

N

M

F

G

G

P

P

V

L

V

V

T

S

A

F

A

P

A

H

K

M

E

E

R

S

I

V

L

L

G

G

L

Y

I

I

N

E

S

S

G

G

V

K

E

A

Q

Q

G

K

A

A

K

R

L

L

V

L

V

C

D

G

N

G

R

E

D

R

F

V

S

T

L

D

Q

G

G

A

Y

F

E

G

D

K

G

G

F

A

F

Y

V

V

G

A

P

P

H

T

L

V

F

F

D

T

N

D

V

C

T

R

P

D

D

D

M

M

D

T

I

I

Y

V

K

R

Q

E

E
|
E

I

I

F
|
F

G

G

P

P

V

V

L

M

S

S

T

I

V

L

R

V

A

Y

G

D

S

D

Y

E

E

D

E

E

A

A

L

I

K

R

L

R

A

A

M

N

D

D

H

T

E

E

Y

Y

G

G

N

L

G

A

T

A

A

G

I

V

F

V

T

T

R

Q

D

D

G

L

D

A

T

R

A

A

R

H

D

R

F

A

A

I

S

H

R

R

I

L

N

E

I

A

G

G

M

I

V

C

G

W

I

I

N

N

V

T

P

W

I

G

P

E

V

S

P

P

L

-

A

A

Y

E

H

M

T

P

F

V

G

G

W

Y

K

K

K

Q

S

S

M

G

F

V

G

G

D

-

L

-

N

R

Q
x
E

H

N

G

G

P

L

D

T

S

T

F

L

K

A

F

H

Y

Y

S

T

R

R

T

I

K

K

T

S

V

V

active site: N152 (= N150), K175 (= K173), E251 (≠ F247), C285 (= C281), E386 (= E384), E463 (≠ Q464)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: I148 (= I146), G149 (≠ M147), W151 (≠ F149), N152 (= N150), K175 (= K173), S177 (= S175), E178 (= E176), G208 (vs. gap), G212 (≠ V209), F226 (= F223), T227 (≠ V224), G228 (= G225), G229 (≠ S226), T232 (≠ I229), V236 (≠ I233), E251 (≠ F247), L252 (≠ G248), C285 (= C281), E386 (= E384), F388 (= F386)

2wmeA Crystallographic structure of betaine aldehyde dehydrogenase from pseudomonas aeruginosa (see paper)
33% identity, 95% coverage: 7:479/499 of query aligns to 9:478/489 of 2wmeA

query
sites
2wmeA

F

Y

I

I

N

G

G

G

E

R

H

Y

V

V

A

E

G

A

T

S

S

S

G

G

R

A

F

T

D

F

D

E

V

T

F

I

N

N

P

P

A

A

T

N

G

G

E

E

V

V

Q

L

Y

A

Q

K

C

V

P

Q

M

R

A

A

S

S

V

R

A

E

E

D

T

V

T

E

A

R

A

A

I

V

E

Q

D

S

A

A

A

V

A

E

A

G

Q

Q

V

K

A

V

W

W

G

A

A

A

T

M

N

T

P

A

Q

M

K

Q

R

R

A

S

R

R

V

I

L

L

M

R

A

R

M

A

V

V

G

D

L

I

M

L

N

R

R

E

D

R

M

N

D

D

K

E

L

L

A

A

E

A

A

L

L

E

S

T

R

L

E

D

H

T

G

G

K

K

T

P

I

L

P

A

D

E

A

T

K

R

G

S

-

V

D

D

L

I

Q

V

R

T

G

G

L

A

E

D

V

V

I

L

E

E

Y

Y

C

Y

I

A

G

G

A

L

P

V

Q

P

M

A

L

I

K

E

G

G

E

E

F

Q

T

I

D

P

S

L

A

R

G

E

P

T

G

S

I

F

D

-

M

V

Y

Y

S

T

M

R

R

R

Q

E

P

P

L

L

G

G

V

V

A

A

S

G

I

I

M
x
G

P

A

F
x
W

N
|
N

F

Y

P

P

A

V

M

Q

M

I

P

A

L

L

W

W

H

K

V

S

G

A

P

P

A

A

L

L

A

A

C

A

G

G

N

N

A

A

V

M

V

I

L

F

K
|
K

P

P

S
|
S

E
|
E

R

V

D

T

P

P

S

L

V

T

P

A

L

L

M

K

L

L

A

A

E

E

L

I

F

Y

V

T

E

E

A

A

G

G

L

V

P

P

K

D

G

G

V

V

F

F

Q

N

V

V

V

L

N

T

G

G

D

S

-
x
G

K

R

E

E

A

V

V
x
G

D

Q

T

W

L

L

L

T

D

E

S

H

E

P

I

L

I

I

Q

E

G

K

V

I

S

S

F
|
F

V

T

G
|
G

S
x
G

T

T

P

S

I
x
T

A

G

Q

K

Y

K

I
x
V

Y

M

A

A

R

S

A

A

T

S

A

S

N

S

G

S

-

L

K

K

R

E

A

V

Q

T

C

M

F
x
E

G

L

G

G

A

G

K

K

N

S

H

P

M

L

I

I

V

I

M

F

P

P

D

D

A

A

D

D

L

L

D

D

Q

R

A

A

D

D

A

I

L

A

V

V

G

M

A

A

G

N

F

F

G

F

A

S

G

G

E

Q

R

V

C
|
C

M

T

A

N

I

-

S

G

V

T

A

R

V

V

P

F

V

I

G

H

E

R

E

S

T

Q

A

Q

D

A

A

R

L

F

I

E

E

A

K

K

L

V

I

L

P

E

R

R

V

V

E

Q

K

R

L

I

K

R

V

L

G

G

P

D

Y

-

T

P

A

Q

G

D

D

E

D

N

V

T

D

N

M

F

G

G

P

P

V

L

V

V

T

S

A

F

A

P

A

H

K

M

E

E

R

S

I

V

L

L

G

G

L

Y

I

I

N

E

S

S

G

G

V

K

E

A

Q

Q

G

K

A

A

K

R

L

L

V

L

V

C

D

G

N

G

R

E

D

R

F

V

S

T

L

D

Q

G

G

A

Y

F

E

G

D

K

G

G

F

A

F

Y

V

V

G

A

P

P

H

T

L

V

F

F

D

T

N

D

V

C

T

R

P

D

D

D

M

M

D

T

I

I

Y

V

K

R

Q

E

E
|
E

I

I

F

F

G

G

P

P

V

V

L

M

S

S

T

I

V

L

R

V

A

Y

G

D

S

D

Y

E

E

D

E

E

A

A

L

I

K

R

L

R

A

A

M

N

D

D

H

T

E

E

Y

Y

G

G

N

L

G

A

T

A

A

G

I

V

F

V

T

T

R

Q

D

D

G

L

D

A

T

R

A

A

R

H

D

R

F

A

A

I

S

H

R

R

I

L

N

E

I

A

G

G

M

I

V

C

G

W

I

I

N

N

V

T

P

W

I

G

P

E

V

S

P

P

L

-

A

A

Y

E

H

M

T

P

F

V

G

G

W

Y

K

K

K

Q

S

S

M

G

F

V

G

G

D

-

L

-

N

R

Q
x
E

H

N

G

G

P

L

D

T

S

T

F

L

K

A

F

H

Y

Y

S

T

R

R

T

I

K

K

T

S

V

V

active site: N152 (= N150), K175 (= K173), E251 (≠ F247), C285 (= C281), E386 (= E384), E463 (≠ Q464)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G149 (≠ M147), W151 (≠ F149), K175 (= K173), S177 (= S175), E178 (= E176), G208 (vs. gap), G212 (≠ V209), F226 (= F223), G228 (= G225), G229 (≠ S226), T232 (≠ I229), V236 (≠ I233)

6wsbA Crystal structure of a betaine aldehyde dehydrogenase from burkholderia pseudomallei bound to cofactor NAD (see paper)
35% identity, 96% coverage: 1:479/499 of query aligns to 5:477/489 of 6wsbA

query
sites
6wsbA

M

L

Q

Q

N

R

L

L

T

-

H

-

F

Y

I

I

N

A

G

G

E

A

H

H

V

A

A

D

G

A

T

T

S

S

G

G

R

K

F

T

D

F

D

D

V

T

F

F

N

D

P

P

A

A

T

T

G

G

E

E

V

L

Q

L

Y

A

Q

R

C

V

P

Q

M

Q

A

A

S

S

V

A

A

D

E

D

T

V

T

D