SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing PP_2694 FitnessBrowser__Putida:PP_2694 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)

4neaA 1.90 angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betb) from staphylococcus aureus in complex with NAD+ and bme-free cys289 (see paper)
35% identity, 99% coverage: 1:474/480 of query aligns to 13:489/505 of 4neaA

query
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4neaA

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active site: N166 (= N151), K189 (= K174), E264 (= E249), C298 (= C283), E399 (= E382), E476 (= E461)
binding nicotinamide-adenine-dinucleotide: P164 (= P149), K189 (= K174), E192 (≠ N177), G222 (= G207), G226 (= G211), G242 (= G227), G243 (≠ S228), T246 (= T231), H249 (≠ R234), I250 (≠ V235), C298 (= C283), E399 (= E382), F401 (= F384)

4pz2B Structure of zm aldh2-6 (rf2f) in complex with NAD (see paper)
38% identity, 98% coverage: 9:476/480 of query aligns to 14:484/494 of 4pz2B

query
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4pz2B

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active site: N159 (= N151), K182 (= K174), E258 (= E249), C292 (= C283), E392 (= E382), D469 (≠ E461)
binding nicotinamide-adenine-dinucleotide: I155 (= I147), I156 (≠ T148), P157 (= P149), W158 (= W150), N159 (= N151), M164 (≠ T156), K182 (= K174), A184 (= A176), E185 (≠ N177), G215 (= G207), G219 (= G211), F233 (= F225), T234 (= T226), G235 (= G227), S236 (= S228), V239 (≠ T231), E258 (= E249), L259 (≠ M250), C292 (= C283), E392 (= E382), F394 (= F384)

P17202 Aminoaldehyde dehydrogenase BADH; 4-trimethylammoniobutyraldehyde dehydrogenase BADH; Aminobutyraldehyde dehydrogenase BADH; Betaine aldehyde dehydrogenase; SoBADH; EC 1.2.1.-; EC 1.2.1.47; EC 1.2.1.19; EC 1.2.1.8 from Spinacia oleracea (Spinach) (see 3 papers)
35% identity, 97% coverage: 9:474/480 of query aligns to 11:480/497 of P17202

query
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P17202

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L

K

A

V

V

V

E

E

C

W

A

T

L

I

N

F

G

G

A

C

F

F

F
x
W

G

T

T

N

G

G

Q

Q

K

I

C

C

T

S

A

A

S

T

S

S

R

R

L

L

I

L

V

V

C

H

D

E

G

S

I

I

H

A

D

A

R

E

F

F

V

V

E

D

A

K

L

L

R

V

L

K

R

W

M

T

R

K

Q

N

L

I

K

K

V

I

G

S

H

D

A

P

L

F

E

E

A

E

G

G

V

C

Q

R

I

L

G

G

P

P

V

V

A

I

D

S

A

K

R

G

Q

Q

L

Y

E

D

Q

K

N

I

L

M

A

K

Y

F

L

I

Q

S

L

T

A

A

Q

K

A

S

E

E

G

G

A

A

T

T

L

I

I

L

E

Y

G

G

E

S

R

R

L

P

Q

E

L

H

A

L

C

K

D

K

G

G

Y

Y

M

I

R

E

P

P

A

T

L

I

F

V

I

T

N

D

S

I

R

S

N

T

D

S

M

M

R

Q

I

I

N

W

R

K

E

E

E
|
E

V

V

F

F

G

G

P

P

I

V

A

L

C

C

V

V

I

K

R

T

V

F

R

S

D

S

F

E

E

D

E

E

A

A

L

I

A

A

T

L

L

A

N

N

D

D

T

T

E

E

Y

Y

G

G

L

L

T

A

A

A

G

A

I

V

I

F

T

S

Q

N

S

D

L

L

R

E

H

R

A

C

S

E

H

R

F

I

K

T

R

K

R

A

A

L

Q

E

T

V

G

G

C
x
A

V

V

M

W

V

V

N

N

L

C

P

-

T

S

A

Q

G

P

T
x
C

D

F

Y

V

H

Q

V

A

P

P

F
x
W

G

G

R

I

K
|
K

A

R

S

S

S

G

F

F

G

G

P

-

R

R

E

E

Q

L

G

G

Q

E

Y

W

A

G

R

I

D

Q

F

N

Y

Y

T

L

V

N

V

I

K

K

I28 (≠ Y24) binding K(+)
D96 (≠ E91) binding K(+)
SPW 156:158 (≠ TPW 148:150) binding NAD(+)
Y160 (≠ F152) mutation to A: Decreases binding affinity for betaine aldehyde; increases binding affinity for 4-(trimethylamino)butanal.
W167 (= W159) mutation to A: Decreases binding affinity for betaine aldehyde; increases binding affinity for 4-aminobutanal.
KPSE 182:185 (≠ KPAN 174:177) binding NAD(+)
L186 (= L178) binding K(+)
SSAT 236:239 (≠ SLQT 228:231) binding NAD(+)
V251 (= V244) binding in other chain
L258 (≠ M250) binding NAD(+)
W285 (≠ F277) mutation to A: Decreases binding affinity for betaine aldehyde.
E390 (= E382) binding NAD(+)
A441 (≠ C433) mutation to I: Decreases binding affinity for betaine aldehyde; increases binding affinity for 4-aminobutanal.
C450 (≠ T443) mutation to S: Loss of partial inactivation by betaine aldehyde in the absence of NAD(+).
W456 (≠ F449) binding NAD(+); mutation to A: Decreases binding affinity for betaine aldehyde.
K460 (= K453) binding K(+)

O24174 Betaine aldehyde dehydrogenase 1; OsBADH1; EC 1.2.1.8 from Oryza sativa subsp. japonica (Rice) (see paper)
36% identity, 97% coverage: 9:474/480 of query aligns to 13:485/505 of O24174

query
sites
O24174

Y

F

I

I

D

G

G

G

Q

G

W

W

C

R

E

E

G

-

H

-

A

P

T

S

L

L

G

G

N

R

Y

R

S

L

P

P

-

V

-

N

S

P

D

A

T

T

G

E

D

A

L

T

I

I

G

G

Q

D

Y

I

H

P

Q

A

A

A

S

T

A

A

E

E

Q

D

A

V

R

E

Q

L

A

A

I

V

Q

S

A

A

R

R

A

D

A

A

-

F

-

G

-

R

-

D

-

G

Q

G

P

R

L

H

W

W

A

S

A

R

S

A

G

P

L

G

E

A

S

V

R

R

Q

A

Q

K

V

Y

L

L

M

K

A

A

I

I

G

A

D

A

E

K

L

I

I

K

A

D

R

K

K

K

E

S

E

Y

L

L

G

A

E

L

L

L

L

E

S

T

R

L

E

D

E

S

G

G

K

K

P

P

L

L

A

D

E

E

G

A

I

A

G

G

E

D

V

M

N

E

R

D

S

V

G

A

Q

A

F

C

F

F

H

E

Y

Y

A

A

-

D

-

L

A

A

E

E

V

A

L

L

R

D

Q

G

M

K

G

Q

E

R

T

A

A

P

A

I

S

S

V

L

R

-

P

P

G

M

V

E

D

N

I

F

E

E

-

S

-

Y

V

V

H

L

R

K

E

E

P

P

V

I

G

G

V

V

G

G

I

L

I

I

T

T

P

P

W

W

N
|
N

F

Y

P

P

M

L

A

L

T

M

A

A

A

T

W
|
W

K

K

I

V

A

A

P

P

A

A

L

L

A

A

F

A

G

G

N

C

A

T

V

A

V

V

F

L

K

K

P

P

A

S

N

E

L

L

V

A

P

S

A

L

S

T

A

C

W

L

A

E

L

L

T

G

E

G

I

I

I

C

S

A

R

E

Q

I

G

G

L

L

P

P

S

P

G

G

T

V

F

L

N

N

L

I

V

I

M

T

G

G

S

L

G

G

A

T

D

E

V

A

G

G

E

A

A

P

L

L

I

A

Q

S

S

H

A

P

E

H

I

V

D

D

A

K

L

I

T

A

F

F

T

T

G

G

S

S

L

T

Q

E

T

T

G

G

R

K

R

R

V

I

A

M

V

I

A

T

T

A

A

S

G

Q

N

M

L

V

V

K

R

P

C

V

Q

S

L

L

E

E

M

L

G

G

S

G

K

K

N

S

A

P

L

L

V

I

V

V

M

F

D

D

A

V

D

D

L

I

E

D

L

K

A

A

V

V

E

E

C

W

A

A

L

M

N

F

G

G

A

C

F

F

F

A

G

N

T

A

G

G

Q

Q

K

V

C

C

T

S

A

A

S

T

S

S

R

R

L

L

I

L

V

L

C

H

D

E

G

K

I

I

H

A

D

K

R

R

F

F

V

L

E

D

A

R

L

L

R

V

L

A

R

W

M

A

R

K

Q

S

L

I

K

K

V

I

G

S

H

D

A

P

L

L

E

E

A

E

G

G

V

C

Q

R

I

L

G

G

P

S

V

V

A

V

D

S

A

E

R

G

Q

Q

L

Y

E

Q

Q

K

N

I

L

M

A

K

Y

F

L

I

Q

S

L

T

A

A

Q

R

A

C

E

E

G

G

A

A

T

T

L

I

I

L

E

Y

G

G

E

A

R

R

L

P

Q

Q

L

H

A

L

C

K

D

R

G

G

Y

F

M

I

R

E

P

P

A

T

L

I

F

I

I

T

N

N

S

V

R

S

N

T

D

S

M

M

R

Q

I

I

N

W

R

R

E

E

V

V

F

F

G

G

P

P

I

V

A

I

C

C

V

V

I

K

R

E

V

F

R

R

D

T

F

E

E

R

E

E

A

A

L

V

A

E

T

L

L

A

N

N

D

D

T

T

E

H

Y

Y

G

G

L

L

T

A

A

G

G

A

I

V

I

I

T

S

Q

N

S

D

L

L

R

E

H

R

A

C

S

E

H

R

F

I

K

S

R

K

R

A

A

I

Q

Q

T

S

G

G

C

I

V

V

M

W

V

I

N

N

L

C

P

-

T

S

A

Q

G

P

T

C

D

F

Y

V

H

Q

V

A

P

P

F

W

G

G

R

N

K

K

A

R

S

S

S

G

F

F

G

G

P

-

R

R

E

E

Q

L

G

G

Q

Q

Y

W

A

G

R

L

D

D

F

N

Y

Y

T

L

V

S

V

V

K

K

N164 (= N151) mutation to A: Slightly reduced affinity for NAD, 6-fold enhanced affinity for both gamma-4-aminobutyraldehyde (GAB-ald) and betaine aldehyde (Bet-ald), but 2-fold decrease in catalytic efficiency.
W172 (= W159) mutation to A: Slightly reduced affinity for NAD, enhanced affinity for both betaine aldehyde (Bet-ald) (10-fold) and gamma-4-aminobutyraldehyde (GAB-ald) (2-fold).; mutation to F: Slightly reduced affinity for NAD, but 6-fold enhanced affinity for both gamma-4-aminobutyraldehyde (GAB-ald) and betaine aldehyde (Bet-ald) and 2-fold increase in catalytic efficiency towards GAB-ald.

4v37A Crystal structure of betaine aldehyde dehydrogenase from spinach showing a thiohemiacetal with 3-aminopropionaldehyde
35% identity, 97% coverage: 9:474/480 of query aligns to 9:478/495 of 4v37A

query
sites
4v37A

Y

F

I

I

D

D

G

G

Q

E

W

W

C

R

E

E

-

P

-

I

G

K

H

K

A

N

T

R

L

I

G

P

N

V

Y

I

S

N

P

P

S

S

D

-

T

T

G

E

D

E

L

I

I

I

G

G

Q

D

Y

I

H

P

Q

A

A

A

S

T

A

A

E

E

Q

D

A

V

R

E

Q

V

A

A

I

V

Q

V

A

A

R

R

A

R

A

A

-

F

-

R

Q

R

P

N

L

N

W

W

A

S

A

A

S

T

G

S

L

G

E

A

S

H

R

R

Q

A

Q

T

V

Y

L

L

M

R

A

A

I

I

G

A

D

A

E

K

L

I

I

T

A

E

R

K

K

K

E

D

E

H

L

F

G

V

E

K

L

L

L

E

S

T

R

I

E

D

E

S

G

G

K

K

P

P

L

F

A

D

E

E

G

A

I

V

G

L

E

D

V

I

N

D

R

D

S

V

G

A

Q

S

F

C

F

F

H

E

Y

Y

Y

F

A

A

A

G

E

Q

V

A

L

E

R

A

Q

L

M

D

G

G

E

K

T

Q

A

K

A

A

S

P

V

V

R

T

-

L

P

P

G

M

V

E

D

R

I

F

E

K

V

S

H

H

-

V

-

L

R

R

E

Q

P

P

V

L

G

G

V

V

G

G

I

L

I
|
I

T
x
S

P
|
P

W
|
W

N
|
N

F

Y

P

P

M

L

A

L

T
x
M

A

A

A

T

W

W

K

K

I

I

A

A

P

P

A

A

L

L

A

A

F

A

G

G

N

C

A

T

V

A

V

V

F

L

K
|
K

P

P

A
x
S

N
x
E

L

L

V

A

P

S

A

V

S

T

A

C

W

L

A

E

L

F

T

G

E

E

I

V

I

C

S

N

R

E

Q

V

G

G

L

L

P

P

S

P

G

G

T

V

F

L

N

N

L

I

V

L

M

T

G

G

S

L

G
|
G

A

P

D

D

V

A

G
|
G

E
x
A

A

P

L

L

I

V

Q

S

S

H

A

P

E

D

I

V

D

D

A

K

L

I

T

A

F

F

T
|
T

G
|
G

S
|
S

L

S

Q

A

T
|
T

G

G

R

S

R

K

V

V

A

-

V

M

A

A

T

S

A

A

G

A

N

Q

L

L

V

V

R

K

-

P

C

V

Q

T

L

L

E
|
E

M
x
L

G

G

S

G

K

K

N

S

A

P

L

I

V

V

M

F

D

E

D

D

A

V

D

D

L

I

E

D

L

K

A

V

V

V

E

E

C

W

A

T

L

I

N

F

G

G

A

C

F

F

F

W

G

T

T

N

G

G

Q

Q

K

I

C
x
A

T

S

A

A

S

T

S

S

R

R

L

L

I

L

V

V

C

H

D

E

G

S

I

I

H

A

D

A

R

E

F

F

V

V

E

D

A

K

L

L

R

V

L

K

R

W

M

T

R

K

Q

N

L

I

K

K

V

I

G

S

H

D

A

P

L

F

E

E

A

E

G

G

V

C

Q

R

I

L

G

G

P

P

V

V

A

I

D

S

A

K

R

G

Q

Q

L

Y

E

D

Q

K

N

I

L

M

A

K

Y

F

L

I

Q

S

L

T

A

A

Q

K

A

S

E

E

G

G

A

A

T

T

L

I

I

L

E

Y

G

G

E

S

R

R

L

P

Q

E

L

H

A

L

C

K

D

K

G

G

Y

Y

M

I

R

E

P

P

A

T

L

I

F

V

I

T

N

D

S

I

R

S

N

T

D

S

M

M

R

Q

I

I

N

W

R

K

E

E

E
|
E

V

V

F
|
F

G

G

P

P

I

V

A

L

C

C

V

V

I

K

R

T

V

F

R

S

D

S

F

E

E

D

E

E

A

A

L

I

A

A

T

L

L

A

N

N

D

D

T

T

E

E

Y

Y

G

G

L

L

T

A

A

A

G

A

I

V

I

F

T

S

Q

N

S

D

L

L

R

E

H

R

A

C

S

E

H

R

F

I

K

T

R

K

R

A

A

L

Q

E

T

V

G

G

C

A

V

V

M

W

V

V

N

N

L

C

P

-

T

S

A

Q

G

P

T
x
C

D

F

Y

V

H

Q

V

A

P

P

F
x
W

G

G

R

I

K

K

A

R

S

S

S

G

F

F

G

G

P

-

R

R

E
|
E

Q

L

G

G

Q

E

Y

W

A

G

R

I

D

Q

F

N

Y

Y

T

L

V

N

V

I

K

K

active site: N157 (= N151), K180 (= K174), E255 (= E249), A289 (≠ C283), E388 (= E382), E465 (= E461)
binding 3-aminopropan-1-ol: C448 (≠ T443), W454 (≠ F449)
binding nicotinamide-adenine-dinucleotide: I153 (= I147), S154 (≠ T148), P155 (= P149), W156 (= W150), N157 (= N151), M162 (≠ T156), K180 (= K174), S182 (≠ A176), E183 (≠ N177), G213 (= G207), G217 (= G211), A218 (≠ E212), T232 (= T226), G233 (= G227), S234 (= S228), T237 (= T231), E255 (= E249), L256 (≠ M250), A289 (≠ C283), E388 (= E382), F390 (= F384)

3jz4A Crystal structure of e. Coli NADP dependent enzyme (see paper)
35% identity, 97% coverage: 10:474/480 of query aligns to 14:475/481 of 3jz4A

query
sites
3jz4A

I

I

D

N

G

G

Q

E

W

W

C

L

E

D

G

A

H

N

-

N

-

G

A

E

T

A

L

I

G

D

N

V

Y

T

S

N

P

P

S

A

D

N

T

-

G

G

D

D

L

K

I

L

G

G

Q

S

Y

V

H

P

Q

K

A

M

S

G

A

A

E

D

Q

E

A

T

R

R

Q

A

A

A

I

I

Q

D

A

A

R

N

A

R

A

A

Q

L

P

P

L

A

W

W

A

R

A

A

S

L

G

T

L

A

E

K

S

E

R

R

Q

A

Q

T

V

I

L

L

M

R

A

N

I

W

G

F

D

N

E

L

L

M

I

M

A

E

R

H

K

Q

E

D

L

L

G

A

E

R

L

L

L

M

S

T

R

L

E

E

E

Q

G

G

K

K

P

P

L

L

A

A

E

E

G

A

I

K

G

G

E

E

V

I

N

S

R

Y

S

A

G

A

Q

S

F

F

F

I

H

E

Y

W

Y

F

A

A

A

E

E

E

V

G

L

K

R

R

Q

I

M

Y

G

G

E

D

T

T

A

I

A

P

S

G

V

H

R

Q

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A

G

D

V

K

D

R

I

L

E

I

V

V

H

I

R

K

E

Q

P

P

V

I

G

G

V

V

V

T

G

A

I

A

I

I

T

T

P
|
P

W
|
W

N
|
N

F

F

P

P

M

A

A

A

T

M

A

I

A

T

W

R

K

K

I

A

A

G

P

P

A

A

L

L

A

A

F

A

G

G

N

C

A

T

V

M

V

V

F

L

K
|
K

P

P

A
|
A

N
x
S

L

Q

V

T

P

P

A

F

S

S

A

A

W

L

A

A

L

L

T

A

E

E

I

L

I

A

S

I

R

R

Q

A

G

G

L

V

P

P

S

A

G

G

T

V

F

F

N

N

L

V

V

V

M

T

G

G

S

S

G
x
A

A

G

D

A

V

V

G
|
G

E

N

A

E

L

L

I

T

Q

S

S

N

A

P

E

L

I

V

D

R

A

K

L

L

T

S

F

F

T

T

G
|
G

S
|
S

L

T

Q

E

T
x
I

G

G

R

R

R

Q

V

L

A

M

V

E

A

Q

T

C

A

A

G

K

N

D

L

I

V

K

R

K

C

V

Q

S

L

L

E
|
E

M

L

G

G

S

G

K

N

N

A

A

P

L

F

V

I

V

V

M

F

D

D

A

A

D

D

L

L

E

D

L

K

A

A

V

V

E

E

C

G

A

A

L

L

N

A

G

S

A

K

F

F

F

R

G

N

T

A

G

G

Q

Q

K

T

C
|
C

T

V

A

C

S

A

S

N

R

R

L

L

I

Y

V

V

C

Q

D

D

G

G

I

V

H

Y

D

D

R

R

F

F

V

A

E

E

A

K

L

L

R

Q

L

Q

R

A

M

M

R

S

Q

K

L

L

K

H

V

I

G

G

H

D

A

G

L

L

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D

A

N

G

G

V

V

Q

T

I

I

G

G

P

P

V

L

A

I

D

D

A

E

R

K

Q

A

L

V

E

A

Q
x
K

N

V

L

E

A

E

Y

H

L

I

Q

A

L

D

A

A

Q

L

A

E

E

K

G

G

A

A

T

R

L

V

I

V

E

C

G

G

E

K

R

A

L

H

Q

E

L

R

A

G

C

-

D

-

G

G

Y

N

Y

F

M

F

R

Q

P

P

A

T

L

I

F

L

I

V

N

D

S

V

R

P

N

A

D

N

M

A

R

K

I

V

N

S

R

K

E

E

E
|
E

V

T

F
|
F

G

G

P

P

I

L

A

A

C

P

V

L

I

F

R

R

V

F

R

K

D

D

F

E

E

A

E

D

A

V

L

I

A

A

T

Q

L

A

N

N

D

D

T

T

E

E

Y

F

G

G

L

L

T

A

A

A

G

Y

I

F

I

Y

T

A

Q

R

S

D

L

L

R

S

H

R

A

V

S

F

H

R

F

V

K

G

R

E

R

A

A

L

Q

E

T

Y

G

G

C

I

V

V

M

G

V

I

N

N

L

T

P

G

T

I

A

I

G

S

T

N

D

E

Y

V

H

-

V

A

P

P

F

F

G

G

R

I

K

K

A

A

S

S

S

G

F

L

G

G

P

-

R

R

E
|
E

Q

G

G

S

Q

K

Y

Y

A

G

R

I

D

E

F

D

Y

Y

T

L

V

E

V

I

K

K

active site: N156 (= N151), K179 (= K174), E254 (= E249), C288 (= C283), E385 (= E382), E462 (= E461)
binding nadp nicotinamide-adenine-dinucleotide phosphate: P154 (= P149), W155 (= W150), K179 (= K174), A181 (= A176), S182 (≠ N177), A212 (≠ G207), G216 (= G211), G232 (= G227), S233 (= S228), I236 (≠ T231), C288 (= C283), K338 (≠ Q333), E385 (= E382), F387 (= F384)

4cazA Crystal structure of betaine aldehyde dehydrogenase from pseudomonas aeruginosa in complex with nadh
36% identity, 97% coverage: 9:475/480 of query aligns to 9:477/489 of 4cazA

query
sites
4cazA

Y

Y

I

I

D

G

G

G

Q

R

W

Y

C

V

E

E

G

A

H

S

-

S

-

G

A

A

T

T

L

F

G

E

N

T

Y

I

S

N

P

P

S

A

D

N

T

-

G

G

D

E

L

V

I

L

G

A

Q

K

Y

V

H

Q

Q

R

A

A

S

S

A

R

E

E

Q

D

A

V

R

E

Q

R

A

A

I

V

Q

Q

A

S

A

A

R

V

A

E

A

G

Q

Q

P

K

L

V

W

W

A

A

S

M

G

T

L

A

E

M

S

Q

R

R

Q

S

Q

R

V

I

L

L

M

R

A

R

I

A

G

V

D

D

E

I

L

L

I

R

A

E

R

R

K

N

E

D

E

E

L

L

G

A

E

A

L

L

L

E

S

T

R

L

E

D

E

T

G

G

K

K

P

P

L

L

A

A

E

E

G

T

I

R

G

S

-

V

E

D

V

I

N

V

R

T

S

G

G

A

Q

D

F

V

F

L

H

E

Y

Y

A

A

A

G

E

L

V

V

L

P

R

A

Q

I

M

E

G

G

E

E

T

Q

A

I

A

-

S

P

V

L

R

R

P

E

G

T

V

S

D

F

I

V

E

Y

V

T

H

R

R

R

E

E

P

P

V

L

G

G

V

V

G

A

I

G

I
|
I

T
x
G

P

A

W
|
W

N
|
N

F

Y

P

P

M

V

A

Q

T

I

A

A

A

L

W

W

K

K

I

S

A

A

P

P

A

A

L

L

A

A

F

A

G

G

N

N

A

A

V

M

V

I

F

F

K
|
K

P

P

A

S

N
x
E

L

V

V

T

P

P

A

L

S

T

A

A

W

L

A

K

L

L

T

A

E

E

I

I

I

Y

S

T

R

E

Q

A

G

G

L

V

P

P

S

D

G

G

T

V

F

F

N

N

L

V

V

L

M

T

G

G

S

S

G
|
G

A

R

D

E

V

V

G
|
G

E

Q

A

W

L

L

I

T

Q

E

S

H

A

P

E

L

I

I

D

E

A

K

L

I

T

S

F
|
F

T
|
T

G
|
G

S
x
G

L

T

Q

S

T
|
T

G

G

R

K

V
|
V

-

M

A

A

V

S

A

A

T

S

A

S

G

S

N

S

L

L

V

K

R

E

C

V

Q

T

L

M

E
|
E

M
x
L

G

G

S

G

K

K

N

S

A

P

L

L

V

I

M

F

D

P

D

D

A

A

D

D

L

L

E

D

L

R

A

A

V

A

E

D

C

I

A

A

L

V

N

M

G

A

A

N

F

F

G

S

T

S

G

G

Q

Q

K

V

C
|
C

T

T

A

N

S

G

S

T

R

R

L

V

I

F

V

I

C

H

D

R

G

S

I

Q

H

Q

D

A

R

R

F

F

V

E

E

A

A

K

L

V

R

L

L

E

R

R

M

V

R

Q

Q

R

L

I

K

R

V

L

G

G

H

D

A

P

L

Q

E

D

A

E

G

N

V

T

Q

N

I

F

G

G

P

P

V

L

A

V

D

S

A

F

R

P

Q

H

L

M

E

E

Q

S

N

V

L

L

A

G

Y

Y

L

I

Q

E

L

S

A

G

Q

K

A

A

E

Q

G

K

A

A

T

R

L

L

I

L

E

C

G

G

E

E

R

R

L

V

Q

T

L

D

A

G

C

A

-

F

-

G

D

K

G

G

Y

A

Y

Y

M

V

R

A

P

P

A

T

L

V

F

F

I

T

N

D

S

C

R

R

N

D

D

D

M

M

R

T

I

I

N

V

R

R

E

E

E
|
E

V

I

F
|
F

G

G

P

P

I

V

A

M

C

S

V

I

I

L

R

V

V

Y

R

D

D

D

F

E

E

D

E

E

A

A

L

I

A

R

T

R

L

A

N

N

D

D

T

T

E

E

Y

Y

G

G

L

L

T

A

A

A

G

G

I

V

T

T

Q

Q

S

D

L

L

R

A

H

R

A

A

S

H

H

R

F

A

K

I

R

H

R

R

A

L

Q

E

T

A

G

G

C

I

V

C

M

W

V

I

N

N

L

-

P

-

T

T

A

W

G

G

-

E

T

S

D

P

Y

A

H

E

V

M

P

P

F

V

G

G

R

Y

K

K

A

Q

S

S

S

G

F

V

G

G

P

-

R

R

E
|
E

Q

N

G

G

Q

L

Y

T

A

T

R

L

D

A

F

H

Y

Y

T

T

V

R

V

I

K

K

T

S

active site: N152 (= N151), K175 (= K174), E251 (= E249), C285 (= C283), E386 (= E382), E463 (= E461)
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 (= I147), G149 (≠ T148), W151 (= W150), N152 (= N151), K175 (= K174), E178 (≠ N177), G208 (= G207), G212 (= G211), F226 (= F225), T227 (= T226), G228 (= G227), G229 (≠ S228), T232 (= T231), V236 (= V235), E251 (= E249), L252 (≠ M250), C285 (= C283), E386 (= E382), F388 (= F384)

2woxA Betaine aldehyde dehydrogenase from pseudomonas aeruginosa with NAD(p) h-catalytic thiol adduct. (see paper)
36% identity, 97% coverage: 9:475/480 of query aligns to 9:477/489 of 2woxA

query
sites
2woxA

Y

Y

I

I

D

G

G

G

Q

R

W

Y

C

V

E

E

G

A

H

S

-

S

-

G

A

A

T

T

L

F

G

E

N

T

Y

I

S

N

P

P

S

A

D

N

T

-

G

G

D

E

L

V

I

L

G

A

Q

K

Y

V

H

Q

Q

R

A

A

S

S

A

R

E

E

Q

D

A

V

R

E

Q

R

A

A

I

V

Q

Q

A

S

A

A

R

V

A

E

A

G

Q

Q

P

K

L

V

W

W

A

A

S

M

G

T

L

A

E

M

S

Q

R

R

Q

S

Q

R

V

I

L

L

M

R

A

R

I

A

G

V

D

D

E

I

L

L

I

R

A

E

R

R

K

N

E

D

E

E

L

L

G

A

E

A

L

L

L

E

S

T

R

L

E

D

E

T

G

G

K

K

P

P

L

L

A

A

E

E

G

T

I

R

G

S

-

V

E

D

V

I

N

V

R

T

S

G

G

A

Q

D

F

V

F

L

H

E

Y

Y

A

A

A

G

E

L

V

V

L

P

R

A

Q

I

M

E

G

G

E

E

T

Q

A

I

A

-

S

P

V

L

R

R

P

E

G

T

V

S

D

F

I

V

E

Y

V

T

H

R

R

R

E

E

P

P

V

L

G

G

V

V

G

A

I

G

I
|
I

T
x
G

P

A

W
|
W

N
|
N

F

Y

P

P

M

V

A

Q

T

I

A

A

A

L

W

W

K

K

I

S

A

A

P

P

A

A

L

L

A

A

F

A

G

G

N

N

A

A

V

M

V

I

F

F

K
|
K

P

P

A
x
S

N
x
E

L

V

V

T

P

P

A

L

S

T

A

A

W

L

A

K

L

L

T

A

E

E

I

I

I

Y

S

T

R

E

Q

A

G

G

L

V

P

P

S

D

G

G

T

V

F

F

N

N

L

V

V

L

M

T

G

G

S

S

G
|
G

A

R

D

E

V

V

G
|
G

E

Q

A

W

L

L

I

T

Q

E

S

H

A

P

E

L

I

I

D

E

A

K

L

I

T

S

F
|
F

T
|
T

G
|
G

S
x
G

L

T

Q

S

T
|
T

G

G

R

K

V
|
V

-

M

A

A

V

S

A

A

T

S

A

S

G

S

N

S

L

L

V

K

R

E

C

V

Q

T

L

M

E
|
E

M
x
L

G

G

S

G

K

K

N

S

A

P

L

L

V

I

M

F

D

P

D

D

A

A

D

D

L

L

E

D

L

R

A

A

V

A

E

D

C

I

A

A

L

V

N

M

G

A

A

N

F

F

G

S

T

S

G

G

Q

Q

K

V

C
|
C

T

T

A

N

S

G

S

T

R

R

L

V

I

F

V

I

C

H

D

R

G

S

I

Q

H

Q

D

A

R

R

F

F

V

E

E

A

A

K

L

V

R

L

L

E

R

R

M

V

R

Q

Q

R

L

I

K

R

V

L

G

G

H

D

A

P

L

Q

E

D

A

E

G

N

V

T

Q

N

I

F

G

G

P

P

V

L

A

V

D

S

A

F

R

P

Q

H

L

M

E

E

Q

S

N

V

L

L

A

G

Y

Y

L

I

Q

E

L

S

A

G

Q

K

A

A

E

Q

G

K

A

A

T

R

L

L

I

L

E

C

G

G

E

E

R

R

L

V

Q

T

L

D

A

G

C

A

-

F

-

G

D

K

G

G

Y

A

Y

Y

M

V

R

A

P

P

A

T

L

V

F

F

I

T

N

D

S

C

R

R

N

D

D

D

M

M

R

T

I

I

N

V

R

R

E

E

E
|
E

V

I

F
|
F

G

G

P

P

I

V

A

M

C

S

V

I

I

L

R

V

V

Y

R

D

D

D

F

E

E

D

E

E

A

A

L

I

A

R

T

R

L

A

N

N

D

D

T

T

E

E

Y

Y

G

G

L

L

T

A

A

A

G

G

I

V

T

T

Q

Q

S

D

L

L

R

A

H

R

A

A

S

H

H

R

F

A

K

I

R

H

R

R

A

L

Q

E

T

A

G

G

C

I

V

C

M

W

V

I

N

N

L

-

P

-

T

T

A

W

G

G

-

E

T

S

D

P

Y

A

H

E

V

M

P

P

F

V

G

G

R

Y

K

K

A

Q

S

S

S

G

F

V

G

G

P

-

R

R

E
|
E

Q

N

G

G

Q

L

Y

T

A

T

R

L

D

A

F

H

Y

Y

T

T

V

R

V

I

K

K

T

S

active site: N152 (= N151), K175 (= K174), E251 (= E249), C285 (= C283), E386 (= E382), E463 (= E461)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: I148 (= I147), G149 (≠ T148), W151 (= W150), N152 (= N151), K175 (= K174), S177 (≠ A176), E178 (≠ N177), G208 (= G207), G212 (= G211), F226 (= F225), T227 (= T226), G228 (= G227), G229 (≠ S228), T232 (= T231), V236 (= V235), E251 (= E249), L252 (≠ M250), C285 (= C283), E386 (= E382), F388 (= F384)

2wmeA Crystallographic structure of betaine aldehyde dehydrogenase from pseudomonas aeruginosa (see paper)
36% identity, 97% coverage: 9:475/480 of query aligns to 9:477/489 of 2wmeA

query
sites
2wmeA

Y

Y

I

I

D

G

G

G

Q

R

W

Y

C

V

E

E

G

A

H

S

-

S

-

G

A

A

T

T

L

F

G

E

N

T

Y

I

S

N

P

P

S

A

D

N

T

-

G

G

D

E

L

V

I

L

G

A

Q

K

Y

V

H

Q

Q

R

A

A

S

S

A

R

E

E

Q

D

A

V

R

E

Q

R

A

A

I

V

Q

Q

A

S

A

A

R

V

A

E

A

G

Q

Q

P

K

L

V

W

W

A

A

S

M

G

T

L

A

E

M

S

Q

R

R

Q

S

Q

R

V

I

L

L

M

R

A

R

I

A

G

V

D

D

E

I

L

L

I

R

A

E

R

R

K

N

E

D

E

E

L

L

G

A

E

A

L

L

L

E

S

T

R

L

E

D

E

T

G

G

K

K

P

P

L

L

A

A

E

E

G

T

I

R

G

S

-

V

E

D

V

I

N

V

R

T

S

G

G

A

Q

D

F

V

F

L

H

E

Y

Y

A

A

A

G

E

L

V

V

L

P

R

A

Q

I

M

E

G

G

E

E

T

Q

A

I

A

-

S

P

V

L

R

R

P

E

G

T

V

S

D

F

I

V

E

Y

V

T

H

R

R

R

E

E

P

P

V

L

G

G

V

V

G

A

I

G

I

I

T
x
G

P

A

W
|
W

N
|
N

F

Y

P

P

M

V

A

Q

T

I

A

A

A

L

W

W

K

K

I

S

A

A

P

P

A

A

L

L

A

A

F

A

G

G

N

N

A

A

V

M

V

I

F

F

K
|
K

P

P

A
x
S

N
x
E

L

V

V

T

P

P

A

L

S

T

A

A

W

L

A

K

L

L

T

A

E

E

I

I

I

Y

S

T

R

E

Q

A

G

G

L

V

P

P

S

D

G

G

T

V

F

F

N

N

L

V

V

L

M

T

G

G

S

S

G
|
G

A

R

D

E

V

V

G
|
G

E

Q

A

W

L

L

I

T

Q

E

S

H

A

P

E

L

I

I

D

E

A

K

L

I

T

S

F
|
F

T

T

G
|
G

S
x
G

L

T

Q

S

T
|
T

G

G

R

K

V
|
V

-

M

A

A

V

S

A

A

T

S

A

S

G

S

N

S

L

L

V

K

R

E

C

V

Q

T

L

M

E
|
E

M

L

G

G

S

G

K

K

N

S

A

P

L

L

V

I

M

F

D

P

D

D

A

A

D

D

L

L

E

D

L

R

A

A

V

A

E

D

C

I

A

A

L

V

N

M

G

A

A

N

F

F

G

S

T

S

G

G

Q

Q

K

V

C
|
C

T

T

A

N

S

G

S

T

R

R

L

V

I

F

V

I

C

H

D

R

G

S

I

Q

H

Q

D

A

R

R

F

F

V

E

E

A

A

K

L

V

R

L

L

E

R

R

M

V

R

Q

Q

R

L

I

K

R

V

L

G

G

H

D

A

P

L

Q

E

D

A

E

G

N

V

T

Q

N

I

F

G

G

P

P

V

L

A

V

D

S

A

F

R

P

Q

H

L

M

E

E

Q

S

N

V

L

L

A

G

Y

Y

L

I

Q

E

L

S

A

G

Q

K

A

A

E

Q

G

K

A

A

T

R

L

L

I

L

E

C

G

G

E

E

R

R

L

V

Q

T

L

D

A

G

C

A

-

F

-

G

D

K

G

G

Y

A

Y

Y

M

V

R

A

P

P

A

T

L

V

F

F

I

T

N

D

S

C

R

R

N

D

D

D

M

M

R

T

I

I

N

V

R

R

E

E

E
|
E

V

I

F

F

G

G

P

P

I

V

A

M

C

S

V

I

I

L

R

V

V

Y

R

D

D

D

F

E

E

D

E

E

A

A

L

I

A

R

T

R

L

A

N

N

D

D

T

T

E

E

Y

Y

G

G

L

L

T

A

A

A

G

G

I

V

T

T

Q

Q

S

D

L

L

R

A

H

R

A

A

S

H

H

R

F

A

K

I

R

H

R

R

A

L

Q

E

T

A

G

G

C

I

V

C

M

W

V

I

N

N

L

-

P

-

T

T

A

W

G

G

-

E

T

S

D

P

Y

A

H

E

V

M

P

P

F

V

G

G

R

Y

K

K

A

Q

S

S

S

G

F

V

G

G

P

-

R

R

E
|
E

Q

N

G

G

Q

L

Y

T

A

T

R

L

D

A

F

H

Y

Y

T

T

V

R

V

I

K

K

T

S

active site: N152 (= N151), K175 (= K174), E251 (= E249), C285 (= C283), E386 (= E382), E463 (= E461)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G149 (≠ T148), W151 (= W150), K175 (= K174), S177 (≠ A176), E178 (≠ N177), G208 (= G207), G212 (= G211), F226 (= F225), G228 (= G227), G229 (≠ S228), T232 (= T231), V236 (= V235)

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)
36% identity, 97% coverage: 9:475/480 of query aligns to 10:478/490 of Q9HTJ1

query
sites
Q9HTJ1

Y

Y

I

I

D

G

G

G

Q

R

W

Y

C

V

E

E

G

A

H

S

-

S

-

G

A

A

T

T

L

F

G

E

N

T

Y

I

S

N

P

P

S

A

D

N

T

-

G

G

D

E

L

V

I

L

G

A

Q

K

Y

V

H

Q

Q

R

A

A

S

S

A

R

E

E

Q

D

A

V

R

E

Q

R

A

A

I

V

Q

Q

A

S

A

A

R

V

A

E

A

G

Q

Q

P

K

L

V

W

W

A

A

S

M

G

T

L

A

E

M

S

Q

R

R

Q

S

Q

R

V

I

L

L

M

R

A

R

I

A

G

V

D

D

E

I

L

L

I

R

A

E

R

R

K

N

E

D

E

E

L

L

G

A

E

A

L

L

L

E

S

T

R

L

E

D

E

T

G

G

K

K

P

P

L

L

A

A

E

E

G

T

I

R

G

S

-

V

E

D

V

I

N

V

R

T

S

G

G

A

Q

D

F

V

F

L

H

E

Y

Y

A

A

A

G

E

L

V

V

L

P

R

A