SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_047092853.1 NCBI__GCF_001013305.1:WP_047092853.1 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
64% identity, 98% coverage: 1:487/498 of query aligns to 4:491/491 of 4iymC

query
sites
4iymC

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active site: N153 (= N149), K176 (= K172), F250 (= F246), C284 (= C280), E386 (= E382), Q466 (= Q462)
binding nicotinamide-adenine-dinucleotide: I149 (= I145), T150 (= T146), P151 (= P147), F152 (= F148), N153 (= N149), F154 (= F150), K176 (= K172), K209 (= K205), V212 (= V208), F226 (= F222), V227 (= V223), G228 (= G224), S229 (= S225), I232 (= I228), G251 (= G247), C284 (= C280), E386 (= E382), F388 (= F384)

4zz7A Crystal structure of methylmalonate-semialdehyde dehydrogenase (dddc) from oceanimonas doudoroffii (see paper)
54% identity, 97% coverage: 1:485/498 of query aligns to 1:485/489 of 4zz7A

query
sites
4zz7A

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active site: N149 (= N149), K172 (= K172), L246 (≠ F246), C280 (= C280), E382 (= E382), A462 (≠ Q462)
binding nicotinamide-adenine-dinucleotide: T146 (= T146), P147 (= P147), F148 (= F148), N149 (= N149), K172 (= K172), E175 (= E175), K205 (= K205), V208 (= V208), F222 (= F222), V223 (= V223), G224 (= G224), S225 (= S225), I228 (= I228), L246 (≠ F246), G247 (= G247), C280 (= C280), E382 (= E382), F384 (= F384)

5tjrD X-ray crystal structure of a methylmalonate semialdehyde dehydrogenase from pseudomonas sp. Aac (see paper)
54% identity, 96% coverage: 4:482/498 of query aligns to 3:456/468 of 5tjrD

query
sites
5tjrD

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-

E

-

R

-

C
|
C

M

M

A

A

L

I

P

S

V

V

V

A

V

V

P

C

V

V

G

G

E

D

D

Q

T

I

A

A

N

D

R

A

L

L

R

V

E

Q

K

K

L

L

I

V

P

P

A

Q

I

I

N

K

A

G

L

L

R

K

I

-

G

G

V

A

S

A

N

R

D

D

P

-

D

-

A

-

H

-

Y

-

G

-

P

-

V

-

T

-

P

-

E

-

H

-

K

-

A

-

R

K

I

V

E

T

E

G

W

Y

I

I

T

D

T

T

A

G

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N

A

E

Q

G

G

G

A

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E

I

L

V

V

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D

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G

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R

G

G

Y

Y

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A

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H

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N

G

G

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F

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G

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L

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D

H

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V

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T

P

P

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E

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M

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Y

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K

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E

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|
E

I

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F

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G

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P

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L

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C

I

I

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D

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A

A

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L

L

P

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N

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Y

Y

G

G

N

N

G

G

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T

A

C

I

I

F

F

T

T

R

R

N

D

G

G

H

E

A

A

R

R

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L

F

F

A

C

S

D

R

E

V

I

N

E

V

V

G

G

M

M

V

V

G

G

I

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N

N

V

V

P

P

I

L

P

P

V

V

P

P

V

V

A

A

Y

Y

H

H

S

S

F

F

G

G

W

W

K

K

R

R

S

S

G

L

F

F

G

G

D

D

I

L

D

H

Q
x
A

Y

Y

G

G

T

P

E

D

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G

L

V

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R

F

F

W

Y

T

T

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K

T

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K

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K

A

V

I

T

T

Q

Q

R

R

W

W

P

P

active site: N144 (= N149), K167 (= K172), L241 (≠ F246), C270 (= C280), E356 (= E382), A436 (≠ Q462)
binding adenosine-5'-diphosphate: I140 (= I145), T141 (= T146), F143 (= F148), K167 (= K172), E170 (= E175), K200 (= K205), F217 (= F222), S220 (= S225), I223 (= I228)

1t90A Crystal structure of methylmalonate semialdehyde dehydrogenase from bacillus subtilis
40% identity, 97% coverage: 1:482/498 of query aligns to 2:480/484 of 1t90A

query
sites
1t90A

M

I

R

R

Q

K

V

L

D

K

H

N

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Y

I

I

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N

G

G

G

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-

W

S

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E

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T

Y

H

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K

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N

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A

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K

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A

C

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Q

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V

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D

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A

K

A

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L

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L

I

D

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Y

A

A

M

A

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Q

N

T

A

A

K

A

K

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V

A

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K

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W

W

A

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A

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N

A

P

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Q

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R

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A

A

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I

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L

F

F

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N

F

F

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E

Q

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L

I

L

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S

A

Q

N

H

M

K

Q

E

D

E

L

L

A

A

E

H

L

L

L

I

S

T

S

I

E

E

H

N

G

G

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K

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N

V

T

D

K

D

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A

A

K

L

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G

D

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Q

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R

G

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L

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N

I

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A

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A

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P

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L

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M

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A

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A

I

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D

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V

A

Y

A

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N

T

Y

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R

Q

Y

P

P

L

I

G

G

I

V

G

V

A

G

G

G

I
|
I

T
x
A

P
|
P

F
|
F

N
|
N

F

F

P

P

A

M

M

M

I

V

P

P

M

C

W
|
W

M

M

F

F

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P

M

M

A

A

I

I

A

A

A

L

G

G

N

N

A

T

F

F

I

I

L

L

K
|
K

P

P

S

S

E
|
E

R
|
R

D

T

P

P

S

L

V

L

P

T

V

E

R

K

L

L

A

V

E

E

L

L

F

F

L

E

E

K

A

A

G

G

A

L

P

P

E

K

G

G

L

V

L

F

Q

N

V

V

H

Y

G

G

D

A

K
x
H

E

D

M

V

V

V

D

N

A

G

I

I

L

L

D

E

H

H

P

P

D

E

I

I

A

K

A

A

V

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F

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|
V

G
|
G

S
|
S

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x
V

A

G

Q

E

Y

Y

I

V

Y

Y

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K

G

G

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A

E

N

N

A

L

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K

R

R

V

V

Q

Q

A

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x
L

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x
T

G

G

A

A

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K

N

N

H

H

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I

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M

L

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N

D

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A

A

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N

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L

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A

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A

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C
|
C

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M

A

A

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C

P

A

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V

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-

V

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A

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I

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A

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I

L

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V

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C

D

D

G

G

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R

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-

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-

L

-

Q

N

G

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K

D

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Y

F

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V

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G

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I

Y

W

K

K

E

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E
|
E

I

I

F
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F

G

A

P

P

V

V

L

L

Q

S

I

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V

I

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R

A

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N

F

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A

A

L

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L

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P

A

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N

E

K

H

S

Q

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Y

F

G

A

N

N

G

G

V

A

A

C

I

L

F

F

T

T

R

S

N

N

G

S

H

N

A

A

A

I

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R

E

Y

F

F

A

R

S

E

R

N

V

I

N

D

V

A

G

G

M

M

V

L

G

G

I

I

N

N

V

L

P

G

I

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P

V

A

P

P

V

M

A

A

Y

F

H

F

S

P

F

F

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S

G

G

W

W

K

K

R

S

S

S

G

F

F

F

G

G

D

T

I

L

D

H

Q
x
A

Y

N

G

G

T

K

E

D

G

S

L

V

K

D

F

F

W

Y

T

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A

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Y

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P

active site: N151 (= N149), K174 (= K172), L248 (≠ F246), C282 (= C280), E380 (= E382), A460 (≠ Q462)
binding nicotinamide-adenine-dinucleotide: I147 (= I145), A148 (≠ T146), P149 (= P147), F150 (= F148), N151 (= N149), W159 (= W157), K174 (= K172), E177 (= E175), R178 (= R176), H207 (≠ K205), V225 (= V223), G226 (= G224), S227 (= S225), V230 (≠ I228), L248 (≠ F246), T249 (≠ G247), C282 (= C280), E380 (= E382), F382 (= F384)

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)
40% identity, 97% coverage: 1:482/498 of query aligns to 4:482/487 of P42412

query
sites
P42412

M

I

R

R

Q

K

V

L

D

K

H

N

F

Y

I

I

Q

N

G

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G

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-

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S

G

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Y

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V

N

N

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A

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E

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A
x
C

E

Q

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V

A

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L

I

G

S

D

T

A

K

A

E

L

D

L

I

D

D

R

Y

A

A

M

A

E

Q

N

T

A

A

K

A

K

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V

A

Q

F

P

K

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T

W

W

A

S

A

K

T

V

N

A

P

V

Q

P

K

R

R

R

A

A

R

R

V

I

M

L

F

F

K

N

F

F

K

Q

E

Q

L

L

I

L

E

S

A

Q

N

H

M

K

Q

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D

E

L

L

A

A

E

H

L

L

L

I

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T

S

I

E

E

H

N

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G

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N

V

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D

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A

A

K

L

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R

G

G

L

I

E

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N

I

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Y

F

A

A

C

A

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G

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M

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A

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A

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G

A

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T

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D

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Y

A

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Y

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L

I

G

G

I

V

G

V

A

G

G

G

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I

T
x
A

P

P

F
|
F

N

N

F

F

P

P

A

M

M

M

I

V

P

P

M
x
C

W

W

M

M

F

F

G

P

M

M

A

A

I

I

A

A

A

L

G

G

N

N

A

T

F

F

I

I

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K

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E

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|
R

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L

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L

L

A

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F

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K

A

A

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G

A

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P

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N

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V

H

Y

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A

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M

V

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D

N

A

G

I

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L

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I

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A

K

A

A

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S

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F

V

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S

S

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A

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Q

E

Y

Y

I

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Y

Y

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K

G

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S

A

E

N

N

A

L

K

K

R

R

V

V

Q

Q

A

S

F

L

G
x
T

G

G

A

A

K

K

N

N

H

H

G

T

V

I

V

V

M

L

P

N

D

D

A

A

D

N

L

L

D

E

Q

D

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N

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N

L

I

A

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G

A

A

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F

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R

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x
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x
C

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D

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G

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-

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-

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-

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F

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E

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|
E

I

I

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A

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P

V

V

L

L

Q

S

I

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E

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E

A

A

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E

L

I

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A

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E

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F

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A

N

N

G

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V

A

A
x
C

I

L

F

F

T

T

R

S

N

N

G

S

H

N

A

A

A

I

R

R

E

Y

F

F

A

R

S

E

R

N

V

I

N

D

V

A

G

G

M

M

V

L

G

G

I

I

N

N

V

L

P

G

I

V

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P

V

A

P

P

V

M

A

A

Y

F

H

F

S

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F

F

G

S

G

G

W

W

K

K

R

S

S

S

G

F

F

F

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G

D

T

I

L

D

H

Q

A

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N

G

G

T

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E

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L

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W

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T

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T

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T

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P

C36 (≠ A32) 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 (= R103) mutation to L: At least 50-fold decrease of the second-order rate constant for the acylation step.
A150 (≠ T146) binding NAD(+)
F152 (= F148) binding NAD(+)
C160 (≠ M156) 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 (= K172) binding NAD(+)
E179 (= E175) binding NAD(+)
R180 (= R176) binding NAD(+)
S229 (= S225) binding NAD(+)
T251 (≠ G247) binding NAD(+)
R283 (= R279) mutation to L: At least 50-fold decrease of the second-order rate constant for the acylation step.
C287 (≠ L283) 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 (≠ V348) 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 (= E382) binding NAD(+)
C413 (≠ A413) mutation to A: No effect at either the structural or enzymatic levels; when associated with A-36; A-160; A-287 and A-351.

4o6rA Crystal structure of a putative aldehyde dehydrogenase from burkholderia cenocepacia
31% identity, 95% coverage: 3:477/498 of query aligns to 3:475/489 of 4o6rA

query
sites
4o6rA

Q

Q

V

T

D

Q

H

L

F

F

I

I

Q

D

G

G

G

R

S

F

G

V

S

D

G

A

S

V

G

D

R

R

-

G

T

T

H

I

K

D

I

V

W

L

N

N

P

P

S

H

T

D

G

G

E

S

V

V

Q

I

A

T

E

K

V

I

A

A

L

A

G

A

D

T

A

A

L

D

L

V

D

D

R

L

A

A

M

V

E

D

N

A

A

A

K

T

K

R

V

A

Q

F

P

P

E

A

W

W

A

S

A

A

T

M

N

P

P

A

Q

A

K

E

R

R

A

G

R

R

V

L

M

L

F

L

K

R

F

L

K

A

E

D

L

A

I

I

E

E

A

A

N

N

M

T

Q

E

D

A

L

L

A

A

E

Q

L

L

L

E

S

S

S

L

E

D

H

T

G

G

K

H

V

P

V

I

D

R

D

D

A

S

K

R

G

A

-

L

D

D

V

V

Q

P

R

R

G

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L

A

E

A

V

C

I

F

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Y

Y

A

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C

G

G

G

I

M

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A

Q

D

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K

L

L

K

Q

G

G

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S

Y

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T

I

Q

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-

A

V

G

D

P

T

G

G

I

F

D

L

V

N

Y

Y

S

V

T

Q

R

R

Q

A

P

P

L

I

G

G

I

V

G

V

A

G

G

Q

I
|
I

T
x
V

P

P

F

W

N
|
N

F

F

P

P

A

L

M

M

I

F

P

T

M

S

W

W

M

K

F

M

G

G

M

P

A

A

I

L

A

A

G

G

N

N

A

T

F

V

I

V

L

L

K
|
K

P

P

S

S

E

E

R

I

D

T

P

P

S

L

V

S

P

T

V

L

R

R

L

I

A

V

E

E

L

L

F

M

L

A

E

E

A

V

G

G

A

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P

P

E

A

G

G

L

V

Q

N

V

I

V

V

H

P

G

G

D

Y

K
x
G

E

H

M

T

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A

D
x
G

A
x
Q

I

R

L

L

-

A

D

E

H

H

P

P

D

G

I

V

A

G

A

K

V

I

S

A

F
|
F

V

T

G
|
G

S
|
S

S

T

D

A

I
x
T

A

G

Q

R

Y
x
R

I

I

Y

V

S

E

R

A

G

S

T

Q

A

G

N

N

A

L

K

K

R

R

V

V

Q

Q

A

L

F
x
E

G

L

G

G

A

G

K

K

N

G

H

A

G

N

V

I

V

V

M

F

P

D

D

D

A

A

D

N

L

L

D

D

Q

A

V

A

V

I

N

N

D

G

L

A

A

A

G

W

A

A

A

I

F

F

G

H

S

N

A

Q

G

G

E

Q

R

A

C
|
C

M

I

A

A

L

G

P

S

V

R

V

L

V

V

P

-

V

L

G

H

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T

I

A

A

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D

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A

L

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L

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R

L

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A

A

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A

S

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R

R

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I

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G

V

N

S

P

N

L

D

D

P

P

D

N

A

T

H

E

Y

M

G

G

P

P

V

L

V

T

T

S

P

K

E

Q

H

H

K

L

A

D

R

R

I

V

E

L

E

S

W

Y

I

V

T

D

T

V

A

A

E

R

N

E

E

Q

G

G

E

R

I

V

V

L

V

T

D

G

G

G

R

S

G

A

Y

P

S

Q

L

D

Q

P

G

A

H

L

E

A

K

N

G

G

F

Y

V

V

G

R

P

P

T

T

L

I

I

V

D

E

H

A

V

K

T

H

P

A

E

T

M

D

E

R

S

V

Y

A

K

Q

E

E

E
|
E

I

V

F

F

G

G

P

P

V

F

L

V

Q

T

I

V

V

L

R

R

A

F

T

G

D

S

F

D

E

D

H

E

A

A

L

L

R

A

L

I

P

A

S

N

E

A

H

T

Q

E

Y

Y

G

G

N

L

G

G

V

S

A

G

I

L

F

W

T

T

R

N

N

D

G

L

H

S

A

R

A

A

R

H

E

R

F

M

A

A

S

A

R

R

V

I

N

D

V

A

G

G

M

M

V

C

G

W

I

I

N

N

V

C

P

Y

I

K

P

R

V

V

P

N

V

P

A

G

Y

-

H

S

S

P

F

F

G

G

W

V

K

G

R

K

S

S

G

G

F

Y

G

G

D

-

I

-

D

R

Q
x
E

Y

M

G

G

T

F

E

E

G

A

L

M

K

H

F

D

W

Y

T

T

K

E

T

A

K

R

K

S

V

V

active site: N150 (= N149), K173 (= K172), E248 (≠ F246), C282 (= C280), E383 (= E382), E460 (≠ Q462)
binding adenosine monophosphate: I146 (= I145), V147 (≠ T146), K173 (= K172), G206 (≠ K205), G210 (≠ D209), Q211 (≠ A210), F224 (= F222), G226 (= G224), S227 (= S225), T230 (≠ I228), R233 (≠ Y231)

4go4A Crystal structure of pnpe in complex with nicotinamide adenine dinucleotide
31% identity, 93% coverage: 16:477/498 of query aligns to 16:473/487 of 4go4A

query
sites
4go4A

S

A

G

G

R

G

T

T

H

I

K

D

I

V

W

V

N

S

P

P

S

H

T

D

G

G

E

S

V

L

Q

I

A

T

E

R

V

I

A

A

L

A

G

A

D

E

A

A

L

D

L

V

D

D

R

L

A

A

M

V

E

A

N

A

A

A

K

K

K

R

V

A

Q

F

P

P

E

A

W

W

A

S

A

A

T

L

N

G

P

A

Q

A

K

E

R

R

A

G

R

R

V

L

M

L

F

L

K

K

F

L

K

A

E

D

L

R

I

I

E

E

A

E

N

C

M

S

Q

E

D

E

L

L

A

A

E

Q

L

L

L

E

S

S

S

L

E

N

H

T

G

G

K

H

V

P

V

I

D

R

D

D

A

S

K

R

G

G

-

L

D

D

V

V

Q

P

R

R

G

T

L

A

E

A

V

C

I

F

E

R

Y

Y

A

F

C

G

G

G

I

M

P

A

Q

D

V

K

L

I

K

E

G

G

E

S

Y

V

T

I

Q

P

G

-

A

V

G

D

P

A

G

G

I

F

D

L

V

N

Y

Y

S

V

T

Q

R

R

Q

K

P

P

L

I

G

G

I

V

G

V

A

A

G

Q

I
|
I

T
x
V

P

P

F
x
W

N
|
N

F

F

P

P

A

L

M

M

I
x
F

P

T

M

S

W

W

M

K

F

M

G

G

M

P

A

A

I

L

A

A

G

G

N

N

A

T

F

I

I

V

L

I

K
|
K

P

P

S

S

E

E

R

I

D

T

P

P

S

L

V

S

P

T

V

L

R

R

L

I

A

V

E

E

L

L

F

M

L

T

E

E

A

V

G

G

A

F

P

P

E

K

G

G

L

V

Q

N

V

V

H

P

G

G

D

Y

K
x
G

E

H

M

T

V

A

-
x
G

D
x
Q

A

A

I

L

L

A

D

E

H

H

P

L

D

D

I

V

A

G

A

K

V

I

S

A

F
|
F

V
x
T

G
|
G

S
|
S

S

T

D

A

I
x
T

A

G

Q

R

Y

R

I

I

Y

V

S

E

R

A

G

S

T

K

A

S

N

N

A

L

K

K

R

R

V

I

Q

Q

A

L

F
x
E

G

L

G
|
G

A

G

K

K

N

G

H

A

G

N

V

I

V

V

M

F

P

E

D

D

A

A

D

N

L

I

D

E

Q

A

V

A

V

V

N

N

D

G

L

A

A

A

G

W

A

A

A

I

F

F

G

H

S

N

A

Q

G

G

E

Q

R

A

C
|
C

M

I

A

A

L

G

P

S

V

R

V

L

V

I

P

-

V

L

G

H

E

K

D

D

T

I

A

A

N

D

R

Q

L

F

R

L

E

E

K

R

L

F

I

I

P

A

A

L

I

A

N

K

A

S

L

I

R

R

I

L

G

G

V

D

S

P

N

M

D

D

P

P

D

E

A

T

H

E

Y

M

G

G

P

P

V

L

V

T

T

S

P

A

E

L

H

R

K

R

A

D

R

R

I

V

E

L

E

S

W

Y

I

I

T

D

T

I

A

A

E

I

N

E

E

Q

G

G

E

K

I

V

V

L

V

A

D

G

G

G

R

K

G

A

Y

P

S

D

L

D

Q

K

G

A

H

L

E

A

K

N

G

G

F

F

F

Y

V

V

G

E

P

P

T

T

L

V

I

V

D

E

H

-

V

A

T

K

P

P

E

Q

M

D

E

R

S

V

Y

C

K

Q

E

E

E
|
E

I

V

F
|
F

G

G

P

P

V

F

L

V

Q

T

I

V

V

V

R

R

A

F

T

S

D

S

F

D

E

E

H

E

A

A

L

L

R

A

L

I

P

A

S

N

E

N

H

T

Q

E

Y

Y

G

G

N

L

G

G

V

S

A

G

I

L

F

W

T

T

R

Q

N

N

G

L

H

A

A

R

A

A

R

H

E

K

F

M

A

A

S

H

R

A

V

I

N

H

V

A

G

G

M

M

V

C

G

W

I

I

N

N

V

C

P

Y

I

K

P

R

V

V

P

S

V

P

A

G

Y

-

H

S

S

P

F

F

G

G

W

V

K

G

R

Q

S

S

G

G

F

Y

G

G

D

-

I

-

D

R

Q
x
E

Y

M

G

G

T

F

E

E

G

A

L

I

K

H

F

D

W

Y

T

T

K

E

T

A

K

R

K

S

V

V

active site: N149 (= N149), K172 (= K172), E247 (≠ F246), C281 (= C280), E381 (= E382), E458 (≠ Q462)
binding nicotinamide-adenine-dinucleotide: I145 (= I145), V146 (≠ T146), W148 (≠ F148), N149 (= N149), F154 (≠ I154), K172 (= K172), G205 (≠ K205), G209 (vs. gap), Q210 (≠ D209), F223 (= F222), T224 (≠ V223), G225 (= G224), S226 (= S225), T229 (≠ I228), E247 (≠ F246), G249 (= G248), C281 (= C280), E381 (= E382), F383 (= F384)

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)
30% identity, 93% coverage: 14:477/498 of query aligns to 18:479/490 of Q9HTJ1

query
sites
Q9HTJ1

S

A

G

S

S

S

G

G

R

A

T

T

H

F

K

E

I

T

W

I

N

N

P

P

S

A

T

N

G

G

E

E

V

V

Q

L

A

A

E

K

V

V

A

Q

L

R

G

A

D

S

A

R

A

E

L

D

L

V

D

E

R

R

A

A

M

V

E

Q

N

S

A

A

K

V

K

E

V

G

Q

Q

P

K

E

V

W

W

A

A

T

M

N

T

P

A

Q

M

K

Q

R

R

A

S

R

R

V

I

M

L

F

R

K

R

F

A

K

V

E

D

L

I

I

L

E

R

A

E

N

R

M

N

Q

D

D

E

L

L

A

A

E

A

L

L

L

E

S

T

S

L

E

D

H

T

G

G

K

K

V

P

V

L

D

A

D

E

A

T

K

R

G

S

-

V

D

D

V

I

Q

V

R

T

G

G

L

A

E

D

V

V

I

L

E

E

Y

Y

A

Y

C

A

G

G

I

L

P

V

Q

P

V

A

L

I

K

E

G

G

E

E

Y

Q

T

I

Q

P

G

L

A

R

G

E

P

T

G

S

I

F

D

-

V

V

Y

Y

S

T

T

R

R

R

Q

E

P

P

L

L

G

G

I

V

G

V

A

A

G

G

I

I

T
x
G

P
x
A

F
x
W

N
|
N

F

Y

P

P

A

V

M

Q

I

I

P

A

M

L

W

W

M
x
K

F

S

G

A

M

P

A

A

I

L

A

A

G

G

N

N

A

A

F

M

I

I

L

F

K
|
K

P
|
P

S
|
S

E
|
E

R

V

D

T

P

P

S

L

V

T

P

A

V

L

R

K

L

L

A

A

E

E

L

I

F

Y

L

T

E

E

A

A

G

G

A

V

P

P

E

D

G

G

L

V

L

F

Q

N

V

V

V

L

H

T

G

G

D

S

-
x
G

K

R

E

E

M

V

V

G

D

Q

A

W

I

L

L

T

D

E

H

H

P

P

D

L

I

I

A

E

A

K

V

I

S

S

F

F

V

T

G

G

S
x
G

S
x
T

D
x
S

I
x
T

A

G

Q

K

Y

K

I

V

Y

M

S

A

R

S

G

A

T

S

A

S

N

S

A

S

-

L

K

K

R

E

V

V

Q

T

A

M

F
x
E

G

L

G

G

A

G

K

K

N

S

H

P

G

L

V

I

M

F

P

P

D

D

A

A

D

D

L

L

D

D

Q

R

V

A

N

D

D

I

L

A

A

V

G

M

A

A

A

N

F

F

G

F

S

S

A

S

G

G

E

Q

R

V

C
|
C

M

T

A

N

L

G

P

T

V

R

V

V

V

F

P

-

V

I

G

H

E

R

D

S

T

Q

A

Q

N

A

R

R

L

F

R

E

E

A

K

K

L

V

I

L

P

E

A

R

I

V

N

Q

A

R

L

I

R

R

I

L

G

G

V

D

S

P

N

Q

D

D

P

E

D

N

A

T

H

N

Y

F

G

G

P

P

V

L

V

V

T

S

P

F

E

P

H

H

K

M

A

E

R

S

I

V

E

L

E

G

W

Y

I

I

T

E

T

S

A

G

E

K

N

A

E

Q

G

K

G

A

E

R

I

L

V

L

V

C

D

G

G

G

R

E

G

R

Y

V

S

T

L

D

Q

G

G

A

H

F

E

G

K

K

G

G

F

A

F

Y

V

V

G

A

P

P

T

T

L

V

I

F

D

T

H

D

V

C

T

R

P

D

E

D

M

M

E

T

S

I

Y

V

K

R

E

E

E
|
E

I

I

F

F

G

G

P

P

V

V

L

M

Q

S

I

I

V

L

R

V

A

Y

T

D

D

D

F

E

E

D

H

E

A

A

L

I

R

R

L

R

P

A

S

N

E

D

H

T

Q

E

Y

Y

G

G

N

L

G

A

V

A

A

G

I

V

F

V

T

T

R

Q

N

D

G

L

H

A

A

R

A

A

R

H

E

R

F

A

A

I

S

H

R

R

V

L

N

E

V

A

G

G

M

I

V

C

G

W

I

I

N

N

V

T

-

W

-

G

-

E

-

S

P

P

I

A

P

E

V

M

P

P

V

V

A

-

Y

-

H

-

S

-

F

-

G

G

W

Y

K

K

R

Q

S

S

G

G

F

V

G

G

D

-

I

-

D

R

Q
x
E

Y

N

G

G

T

L

E

T

G

T

L

L

K

A

F

H

W

Y

T

T

K

R

T

I

K

K

K

S

V

V

GAWN 150:153 (≠ TPFN 146:149) binding NADPH
K162 (≠ M158) active site, Charge relay system
KPSE 176:179 (= KPSE 172:175) binding NADPH
G209 (vs. gap) binding NADPH
GTST 230:233 (≠ SSDI 225:228) binding NADPH
E252 (≠ F246) active site, Proton acceptor
C286 (= C280) binding covalent; modified: Cysteine sulfenic acid (-SOH)
E387 (= E382) binding NADPH
E464 (≠ Q462) active site, Charge relay system

4cazA Crystal structure of betaine aldehyde dehydrogenase from pseudomonas aeruginosa in complex with nadh
30% identity, 93% coverage: 14:477/498 of query aligns to 17:478/489 of 4cazA

query
sites
4cazA

S

A

G

S

S

S

G

G

R

A

T

T

H

F

K

E

I

T

W

I

N

N

P

P

S

A

T

N

G

G

E

E

V

V

Q

L

A

A

E

K

V

V

A

Q

L

R

G

A

D

S

A

R

A

E

L

D

L

V

D

E

R

R

A

A

M

V

E

Q

N

S

A

A

K

V

K

E

V

G

Q

Q

P

K

E

V

W

W

A

A

T

M

N

T

P

A

Q

M

K

Q

R

R

A

S

R

R

V

I

M

L

F

R

K

R

F

A

K

V

E

D

L

I

I

L

E

R

A

E

N

R

M

N

Q

D

D

E

L

L

A

A

E

A

L

L

L

E

S

T

S

L

E

D

H

T

G

G

K

K

V

P

V

L

D

A

D

E

A

T

K

R

G

S

-

V

D

D

V

I

Q

V

R

T

G

G

L

A

E

D

V

V

I

L

E

E

Y

Y

A

Y

C

A

G

G

I

L

P

V

Q

P

V

A

L

I

K

E

G

G

E

E

Y

Q

T

I

Q

P

G

L

A

R

G

E

P

T

G

S

I

F

D

-

V

V

Y

Y

S

T

T

R

R

R

Q

E

P

P

L

L

G

G

I

V

G

V

A

A

G

G

I
|
I

T
x
G

P

A

F
x
W

N
|
N

F

Y

P

P

A

V

M

Q

I

I

P

A

M

L

W

W

M

K

F

S

G

A

M

P

A

A

I

L

A

A

G

G

N

N

A

A

F

M

I

I

L

F

K
|
K

P

P

S

S

E
|
E

R

V

D

T

P

P

S

L

V

T

P

A

V

L

R

K

L

L

A

A

E

E

L

I

F

Y

L

T

E

E

A

A

G

G

A

V

P

P

E

D

G

G

L

V

L

F

Q

N

V

V

V

L

H

T

G

G

D

S

-
x
G

K

R

E

E

M

V

V
x
G

D

Q

A

W

I

L

L

T

D

E

H

H

P

P

D

L

I

I

A

E

A

K

V

I

S

S

F
|
F

V
x
T

G
|
G

S
x
G

S

T

D

S

I
x
T

A

G

Q

K

Y

K

I
x
V

Y

M

S

A

R

S

G

A

T

S

A

S

N

S

A

S

-

L

K

K

R

E

V

V

Q

T

A

M

F
x
E

G
x
L

G

G

A

G

K

K

N

S

H

P

G

L

V

I

M

F

P

P

D

D

A

A

D

D

L

L

D

D

Q

R

V

A

N

D

D

I

L

A

A

V

G

M

A

A

A

N

F

F

G

F

S

S

A

S

G

G

E

Q

R

V

C
|
C

M

T

A

N

L

G

P

T

V

R

V

V

V

F

P

-

V

I

G

H

E

R

D

S

T

Q

A

Q

N

A

R

R

L

F

R

E

E

A

K

K

L

V

I

L

P

E

A

R

I

V

N

Q

A

R

L

I

R

R

I

L

G

G

V

D

S

P

N

Q

D

D

P

E

D

N

A

T

H

N

Y

F

G

G

P

P

V

L

V

V

T

S

P

F

E

P

H

H

K

M

A

E

R

S

I

V

E

L

E

G

W

Y

I

I

T

E

T

S

A

G

E

K

N

A

E

Q

G

K

G

A

E

R

I

L

V

L

V

C

D

G

G

G

R

E

G

R

Y

V

S

T

L

D

Q

G

G

A

H

F

E

G

K

K

G

G

F

A

F

Y

V

V

G

A

P

P

T

T

L

V

I

F

D

T

H

D

V

C

T

R

P

D

E

D

M

M

E

T

S

I

Y

V

K

R

E

E

E
|
E

I

I

F
|
F

G

G

P

P

V

V

L

M

Q

S

I

I

V

L

R

V

A

Y

T

D

D

D

F

E

E

D

H

E

A

A

L

I

R

R

L

R

P

A

S

N

E

D

H

T

Q

E

Y

Y

G

G

N

L

G

A

V

A

A

G

I

V

F

V

T

T

R

Q

N

D

G

L

H

A

A

R

A

A

R

H

E

R

F

A

A

I

S

H

R

R

V

L

N

E

V

A

G

G

M

I

V

C

G

W

I

I

N

N

V

T

-

W

-

G

-

E

-

S

P

P

I

A

P

E

V

M

P

P

V

V

A

-

Y

-

H

-

S

-

F

-

G

G

W

Y

K

K

R

Q

S

S

G

G

F

V

G

G

D

-

I

-

D

R

Q
x
E

Y

N

G

G

T

L

E

T

G

T

L

L

K

A

F

H

W

Y

T

T

K

R

T

I

K

K

K

S

V

V

active site: N152 (= N149), K175 (= K172), E251 (≠ F246), C285 (= C280), E386 (= E382), E463 (≠ Q462)
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 (= I145), G149 (≠ T146), W151 (≠ F148), N152 (= N149), K175 (= K172), E178 (= E175), G208 (vs. gap), G212 (≠ V208), F226 (= F222), T227 (≠ V223), G228 (= G224), G229 (≠ S225), T232 (≠ I228), V236 (≠ I232), E251 (≠ F246), L252 (≠ G247), C285 (= C280), E386 (= E382), F388 (= F384)

2woxA Betaine aldehyde dehydrogenase from pseudomonas aeruginosa with NAD(p) h-catalytic thiol adduct. (see paper)
30% identity, 93% coverage: 14:477/498 of query aligns to 17:478/489 of 2woxA

query
sites
2woxA

S

A

G

S

S

S

G

G

R

A

T

T

H

F

K

E

I

T

W

I

N

N

P

P

S

A

T

N

G

G

E

E

V

V

Q

L

A

A

E

K

V

V

A

Q

L

R

G

A

D

S

A

R

A

E

L

D

L

V

D

E

R

R

A

A

M

V

E

Q

N

S

A

A

K

V

K

E

V

G

Q

Q

P

K

E

V

W

W

A

A

T

M

N

T

P

A

Q

M

K

Q

R

R

A

S

R

R

V

I

M

L

F

R

K

R

F

A

K

V

E

D

L

I

I

L

E

R

A

E

N

R

M

N

Q

D

D

E

L

L

A

A

E

A

L

L

L

E

S

T

S

L

E

D

H

T

G

G

K

K

V

P

V

L

D

A

D

E

A

T

K

R

G

S

-

V

D

D

V

I

Q

V

R

T

G

G

L

A

E

D

V

V

I

L

E

E

Y

Y

A

Y

C

A

G

G