SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_110805439.1 NCBI__GCF_003217355.1:WP_110805439.1 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)

4cazA Crystal structure of betaine aldehyde dehydrogenase from pseudomonas aeruginosa in complex with nadh
54% identity, 99% coverage: 6:483/483 of query aligns to 5:489/489 of 4cazA

query
sites
4cazA

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active site: N152 (= N152), K175 (= K175), E251 (= E249), C285 (= C283), E386 (= E380), E463 (= E457)
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 (= I148), G149 (= G149), W151 (= W151), N152 (= N152), K175 (= K175), E178 (= E178), G208 (= G208), G212 (= G211), F226 (≠ L225), T227 (= T226), G228 (= G227), G229 (≠ S228), T232 (= T231), V236 (= V235), E251 (= E249), L252 (= L250), C285 (= C283), E386 (= E380), F388 (= F382)

2woxA Betaine aldehyde dehydrogenase from pseudomonas aeruginosa with NAD(p) h-catalytic thiol adduct. (see paper)
54% identity, 99% coverage: 6:483/483 of query aligns to 5:489/489 of 2woxA

query
sites
2woxA

E

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active site: N152 (= N152), K175 (= K175), E251 (= E249), C285 (= C283), E386 (= E380), E463 (= E457)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: I148 (= I148), G149 (= G149), W151 (= W151), N152 (= N152), K175 (= K175), S177 (= S177), E178 (= E178), G208 (= G208), G212 (= G211), F226 (≠ L225), T227 (= T226), G228 (= G227), G229 (≠ S228), T232 (= T231), V236 (= V235), E251 (= E249), L252 (= L250), C285 (= C283), E386 (= E380), F388 (= F382)

2wmeA Crystallographic structure of betaine aldehyde dehydrogenase from pseudomonas aeruginosa (see paper)
54% identity, 99% coverage: 6:483/483 of query aligns to 5:489/489 of 2wmeA

query
sites
2wmeA

E

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S

G

S

-

S

M

L

K

K

H

E

V

V

T

T

M

M

E
|
E

L

L

G

G

G

G

K

K

S

S

P

P

L

L

I

I

V

I

F

F

E

P

D

D

A

A

D

D

L

L

E

D

S

R

A

A

I

A

G

D

A

I

A

A

M

V

L

M

G

A

N

N

F

F

Y

F

S

S

S

S

G

G

Q

Q

I

V

C
|
C

S

T

N

N

G

G

T

T

R

R

V

V

F

F

V

I

H

H

K

R

A

S

I

Q

K

Q

E

A

R

R

F

F

L

E

T

A

R

K

L

V

A

L

E

E

R

R

T

V

A

Q

A

R

I

I

K

R

A

L

G

G

D

D

P

P

L

Q

D

D

E

E

T

N

T

T

Q

N

F

F

G

G

P

P

L

L

V

V

S

S

A

F

A

P

Q

H

H

M

A

E

K

S

V

V

L

L

G

G

Y

Y

I

I

A

E

T

S

A

G

K

K

S

A

E

Q

G

K

A

A

R

R

L

L

V

L

C

C

G

G

G

G

A

E

A

R

G

V

A

T

E

D

G

G

A

A

L

F

-

G

-

K

-

G

-

A

F

Y

V

V

Q

A

P

P

T

T

V

V

F

F

A

T

D

D

V

C

T

R

D

D

S

D

M

M

T

T

I

I

A

V

R

R

E

E

E
|
E

V

I

F

F

G

G

P

P

V

V

M

M

A

S

V

I

L

L

D

V

F

Y

E

D

T

D

E

E

D

D

E

E

V

A

I

I

A

R

R

R

A

A

N

N

G

D

T

T

D

E

F

Y

G

G

L

L

A

A

A

A

G

G

V

V

F

V

T

T

A

Q

D

D

L

L

A

A

R

R

G

A

H

H

R

R

V

A

I

I

A

H

Q

R

L

L

Q

E

A

A

G

G

T

I

T

C

W

W

I

I

N

N

A

T

Y

W

N

G

L

E

T

S

P

P

V

A

E

E

M

M

P

P

F

V

G

G

A

G

V

Y

K

K

S

Q

S

S

G

G

V

V

G

G

R

R

E
|
E

N

N

S

G

K

L

A

T

A

T

I

L

E

A

H

H

Y

Y

T

T

Q

R

V

I

K

K

A

S

V

V

Y

Q

V

V

G

E

M

L

G

G

P

D

V

Y

E

A

S

S

P

V

Y

F

active site: N152 (= N152), K175 (= K175), E251 (= E249), C285 (= C283), E386 (= E380), E463 (= E457)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G149 (= G149), W151 (= W151), K175 (= K175), S177 (= S177), E178 (= E178), G208 (= G208), G212 (= G211), F226 (≠ L225), 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)
54% identity, 99% coverage: 6:483/483 of query aligns to 6:490/490 of Q9HTJ1

query
sites
Q9HTJ1

E

E

A

Q

S

K

H

L

F

Y

V

I

N

G

G

G

N

R

W

Y

V

V

E

E

D

A

A

S

A

S

G

G

A

A

E

T

I

F

E

E

V

T

I

I

F

N

P

P

G

A

T

N

G

G

E

E

V

V

I

L

A

A

I

K

L

V

H

Q

E

R

A

A

T

S

P

R

A

E

V

D

I

V

E

E

E

R

A

A

L

V

A

Q

G

S

A

A

Q

V

A

E

A

G

Q

Q

R

K

A

V

W

W

A

A

A

A

L

M

K

T

P

A

V

M

E

Q

R

R

A

S

R

R

I

I

L

L

R

R

R

R

A

A

A

V

D

D

L

I

I

L

R

R

A

E

R

R

R

N

A

D

E

E

L

L

A

A

L

A

L

L

E

E

T

T

L

L

D

D

T

T

G

G

K

K

P

P

I

L

Q

A

E

E

T

T

S

R

V

S

A

V

D

D

W

I

P

V

S

T

G

G

A

A

D

D

S

V

L

L

E

E

Y

Y

F

Y

A

A

G

G

L

L

A

V

P

P

T

A

L

I

T

E

G

G

E

E

T

Q

I

I

P

P

L

L

G

R

-

E

G

T

D

S

F

F

A

V

Y

Y

T

T

I

R

R

R

E

E

P

P

L

L

G

G

V

V

C

V

V

A

G

G

I

I

G
|
G

A
|
A

W
|
W

N
|
N

Y

Y

P

P

S

V

Q

Q

I

I

A

A

C

L

W

W

K
|
K

A

S

A

A

P

P

A

A

L

L

S

A

T

A

G

G

N

N

A

A

M

M

I

I

F

F

K
|
K

P
|
P

S
|
S

E
|
E

I

V

T

T

P

P

L

L

G

T

A

A

L

L

Q

K

L

L

A

A

A

E

I

I

F

Y

V

T

E

E

A

A

G

G

M

V

P

P

A

D

G

G

V

V

F

F

N

N

V

V

V

L

Q

T

G

G

R

S

G
|
G

-

R

A

E

V

V

G

G

G

Q

R

W

L

L

A

T

T

E

D

H

S

P

R

L

V

I

A

E

K

K

V

I

S

S

L

F

T

T

G

G

S
x
G

V
x
T

P
x
S

T
|
T

G

G

A

K

K

K

V

V

Y

M

A

A

A

S

A

A

G

S

A

S

G

S

-

S

M

L

K

K

H

E

V

V

T

T

M

M

E
|
E

L

L

G

G

G

G

K

K

S

S

P

P

L

L

I

I

V

I

F

F

E

P

D

D

A

A

D

D

L

L

E

D

S

R

A

A

I

A

G

D

A

I

A

A

M

V

L

M

G

A

N

N

F

F

Y

F

S

S

S

S

G

G

Q

Q

I

V

C
|
C

S

T

N

N

G

G

T

T

R

R

V

V

F

F

V

I

H

H

K

R

A

S

I

Q

K

Q

E

A

R

R

F

F

L

E

T

A

R

K

L

V

A

L

E

E

R

R

T

V

A

Q

A

R

I

I

K

R

A

L

G

G

D

D

P

P

L

Q

D

D

E

E

T

N

T

T

Q

N

F

F

G

G

P

P

L

L

V

V

S

S

A

F

A

P

Q

H

H

M

A

E

K

S

V

V

L

L

G

G

Y

Y

I

I

A

E

T

S

A

G

K

K

S

A

E

Q

G

K

A

A

R

R

L

L

V

L

C

C

G

G

G

G

A

E

A

R

G

V

A

T

E

D

G

G

A

A

L

F

-

G

-

K

-

G

-

A

F

Y

V

V

Q

A

P

P

T

T

V

V

F

F

A

T

D

D

V

C

T

R

D

D

S

D

M

M

T

T

I

I

A

V

R

R

E

E

E
|
E

V

I

F

F

G

G

P

P

V

V

M

M

A

S

V

I

L

L

D

V

F

Y

E

D

T

D

E

E

D

D

E

E

V

A

I

I

A

R

R

R

A

A

N

N

G

D

T

T

D

E

F

Y

G

G

L

L

A

A

A

A

G

G

V

V

F

V

T

T

A

Q

D

D

L

L

A

A

R

R

G

A

H

H

R

R

V

A

I

I

A

H

Q

R

L

L

Q

E

A

A

G

G

T

I

T

C

W

W

I

I

N

N

A

T

Y

W

N

G

L

E

T

S

P

P

V

A

E

E

M

M

P

P

F

V

G

G

A

G

V

Y

K

K

S

Q

S

S

G

G

V

V

G

G

R

R

E
|
E

N

N

S

G

K

L

A

T

A

T

I

L

E

A

H

H

Y

Y

T

T

Q

R

V

I

K

K

A

S

V

V

Y

Q

V

V

G

E

M

L

G

G

P

D

V

Y

E

A

S

S

P

V

Y

F

GAWN 150:153 (= GAWN 149:152) binding NADPH
K162 (= K161) active site, Charge relay system
KPSE 176:179 (= KPSE 175:178) binding NADPH
G209 (= G208) binding NADPH
GTST 230:233 (≠ SVPT 228:231) binding NADPH
E252 (= E249) active site, Proton acceptor
C286 (= C283) binding covalent; modified: Cysteine sulfenic acid (-SOH)
E387 (= E380) binding NADPH
E464 (= E457) active site, Charge relay system

8skfA Crystal structure of betaine aldehyde dehydrogenase (betb) from klebsiella aerogenes (lattice translocation disorder)
54% identity, 100% coverage: 1:483/483 of query aligns to 8:497/497 of 8skfA

query
sites
8skfA

M

M

R

S

A

R

Q

M

P

A

E

E

A

Q

S

Q

H

L

F

Y

V

I

N

H

G

G

N

K

W

F

V

V

E

A

D

A

A

T

A

S

G

G

A

K

E

T

I

F

E

E

V
x
T

I
|
I

F

N

P

P

G

A

T

T

G

G

E

E

V

V

I

L

A

A

I

T

L

V

H

Q

E

A

A

A

T

G

P

R

A

E

V

D

I

V

E

D

E

R

A

A

L

V

A

K

G

S

A

A

Q

Q

A

Q

A

G

Q

Q

R

K

A

V

W

W

A

A

A

A

L

M

K

S

P

A

V

M

E

A

R

R

A

S

R

R

I

I

L

L

R

R

R

K

A

A

A

V

D

D

L

I

I

L

R

R

A

E

R

R

R

N

A

D

E

E

L

L

A

A

L

R

L

L

E

E

T

T

L

L

D
|
D

T

T

G

G

K

K

P

P

I

L

Q

S

E

E

T

T

S

A

V

A

A

V

D

D

W

I

P

V

S

T

G

G

A

A

D

D

S

V

L

L

E

E

Y

Y

F

Y

A

A

G

G

L

L

A

I

P

P

T

A

L

L

T

E

G

G

E

S

T

Q

I

I

P

P

L

L

-

R

G

D

G

S

D

S

F

F

A

V

Y

Y

T

T

I

R

R

R

E

E

P

P

L

L

G

G

V

V

C

V

V

A

G

G

I
|
I

G
|
G

A
|
A

W
|
W

N

N

Y

Y

P

P

S

I

Q

Q

I

I

A

A

C

L

W

W

K

K

A

S

A

A

P

P

A

A

L

L

S

A

T

A

G

G

N

N

A

A

M

M

I

I

F

F

K
|
K

P

P

S

S

E
|
E

I
x
V

T

T

P

P

L

L

G

T

A

A

L

L

Q

K

L

L

A

A

A

E

I

I

F

Y

V

R

E

E

A

A

G

G

M

L

P

P

A

D

G

G

V

V

F

F

N

N

V

V

V

L

Q

P

G

G

R

I

G
|
G

A

A

V

E

G

T

G
|
G

R

Q

L

Y

A

L

T

T

D

E

S

H

-

P

R

D

V

I

A

A

K

K

V

I

S

S

L

F

T
|
T

G
|
G

S
x
G

V

V

P

A

T
x
S

G

G

A

K

K
|
K

V

V

Y

M

A

A

-

N

A

S

A

A

G

A

A

S

G

S

M

L

K

K

H

E

V

V

T

T

M

M

E
|
E

L

L

G

G

G

G

K

K

S

S

P

P

L

L

I

I

V

I

F

A

E

E

D

D

A

A

D

N

L

L

E

D

S

L

A

A

I

A

G

D

A

I

A

A

M

M

L

M

G

A

N

N

F

F

Y

Y

S

S

S

S

G

G

Q

Q

I

V

C
|
C

S

T

N

N

G

G

T

T

R

R

V

V

F

F

V

V

H

P

K

A

A

K

I

F

K

K

E

A

R

E

F

F

L

E

T

H

R

K

L

I

A

L

E

E

R

R

T

V

A

G

A

R

I

I

K

R

A

A

G

G

D

D

P

L

L

F

D

A

E

D

T

D

T

T

Q

N

F

F

G

G

P

P

L

L

V

V

S

S

A

F

A

P

Q

H

H

R

A

Q

K

N

V

V

L

L

G

R

Y

Y

I

I

A

E

T

S

A

G

K

K

S

S

E

E

G

G

A

A

R

R

L

L

V

L

C

C

G

G

G

G

-

D

-

V

-

L

-

K

A

G

A

E

G

G

A

F

E

D

G

N

A

G

L

A

F

W

V

V

Q

A

P

P

T

T

V

V

F

F

A

T

D

D

V

C

T

T

D

D

S

D

M

M

T

T

I

I

A

V

R

R

E

E

E

E

V

I

F
|
F

G

G

P

P

V

V

M

M

A

S

V

I

L

L

D

S

F

Y

E

D

T

D

E

E

D

A

E

E

V

V

I

I

A

R

R

R

A

A

N

N

G

A

T

T

D

E

F

Y

G

G

L

L

A

A

A

A

G

G

V

V

F

V

T

T

A

P

D

D

L

L

A

N

R

R

G

A

H

H

R

R

V

I

I

I

A

H

Q

Q

L

L

Q

E

A

A

G

G

T

I

T

C

W

W

I

I

N

N

A

S

Y

W

N

G

L

E

T

S

P

P

V

A

E

E

M

M

P

P

F

V

G

G

A

G

V

Y

K

K

S

H

S

S

G

G

V

I

G

G

R

R

E

E

N

N

S

G

K

V

A

M

A

T

I

L

E

Q

H

S

Y

Y

T

T

Q

Q

V

V

K

K

A

S

V

I

Y

Q

V

V

G

E

M

M

G

G

P

P

V

F

E

Q

S

S

P

I

Y

F

binding calcium ion: T33 (≠ V26), I34 (= I27), D100 (= D93), V187 (≠ I179)
binding nicotinamide-adenine-dinucleotide: I156 (= I148), G157 (= G149), A158 (= A150), W159 (= W151), K183 (= K175), E186 (= E178), G216 (= G208), G220 (= G212), T235 (= T226), G236 (= G227), G237 (≠ S228), S240 (≠ T231), K243 (= K234), E259 (= E249), C293 (= C283), F396 (= F382)

8vr1A Crystal structure of betaine aldehyde dehydrogenase (betb) from klebsiella aerogenes (ctp bound)
54% identity, 99% coverage: 6:483/483 of query aligns to 4:488/488 of 8vr1A

query
sites
8vr1A

E

E

A

Q

S

Q

H

L

F

Y

V

I

N

H

G

G

N

K

W

F

V

V

E

A

D

A

A

T

A

S

G

G

A

K

E

T

I

F

E

E

V

T

I

I

F

N

P

P

G

A

T

T

G

G

E

E

V

V

I

L

A

A

I

T

L

V

H

Q

E

A

A

A

T

G

P

R

A

E

V

D

I

V

E

D

E

R

A

A

L

V

A

K

G

S

A

A

Q

Q

A

Q

A

G

Q

Q

R

K

A

V

W

W

A

A

A

A

L

M

K

S

P

A

V

M

E

A

R

R

A

S

R

R

I

I

L

L

R

R

R

K

A

A

A

V

D

D

L

I

I

L

R

R

A

E

R

R

R

N

A

D

E

E

L

L

A

A

L

R

L

L

E

E

T

T

L

L

D

D

T

T

G

G

K

K

P

P

I

L

Q

S

E

E

T

T

S

A

V

A

A

V

D

D

W

I

P

V

S

T

G

G

A

A

D

D

S

V

L

L

E

E

Y

Y

F

Y

A

A

G

G

L

L

A

I

P

P

T

A

L

L

T

E

G

G

E

S

T

Q

I

I

P

P

L

L

-

R

G

D

G

S

D

S

F

F

A

V

Y

Y

T

T

I

R

R

R

E

E

P

P

L

L

G

G

V

V

C

V

V

A

G

G

I

I

G

G

A

A

W
|
W

N

N

Y

Y

P

P

S

I

Q

Q

I

I

A

A

C

L

W

W

K

K

A

S

A

A

P

P

A

A

L

L

S

A

T

A

G

G

N

N

A

A

M

M

I

I

F

F

K

K

P

P

S

S

E

E

I

V

T

T

P

P

L

L

G

T

A

A

L

L

Q

K

L

L

A

A

A

E

I

I

F

Y

V

R

E

E

A

A

G

G

M

L

P

P

A

D

G

G

V

V

F

F

N

N

V

V

V

L

Q

P

G

G

R

I

G

G

A

A

V

E

G

T

G

G

R

Q

L

Y

A

L

T

T

D

E

S

H

-

P

R

D

V

I

A

A

K

K

V

I

S

S

L

F

T

T

G
|
G

S
x
G

V

V

P
x
A

T
x
S

G

G

A

K

K

K

V

V

Y

M

A

A

-

N

A

S

A

A

G

A

A

S

G

S

M

L

K

K

H

E

V

V

T

T

M

M

E

E

L

L

G

G

G

G

K

K

S

S

P

P

L

L

I

I

V

I

F

A

E

E

D

D

A

A

D

N

L

L

E

D

S

L

A

A

I

A

G

D

A

I

A

A

M

M

L

M

G

A

N

N

F

F

Y

Y

S

S

S

S

G

G

Q

Q

I

V

C

C

S

T

N

N

G

G

T

T

R

R

V

V

F

F

V

V

H

P

K

A

A

K

I

F

K

K

E

A

R

E

F

F

L

E

T

H

R

K

L

I

A

L

E

E

R

R

T

V

A

G

A

R

I

I

K

R

A

A

G

G

D

D

P

L

L

F

D

A

E

D

T

D

T

T

Q

N

F

F

G

G

P

P

L

L

V

V

S

S

A

F

A

P

Q

H

H

R

A

Q

K

N

V

V

L

L

G

R

Y

Y

I

I

A

E

T

S

A

G

K

K

S

S

E

E

G

G

A

A

R

R

L

L

V

L

C

C

G

G

G

G

-

D

-

V

-

L

-

K

A

G

A

E

G

G

A

F

E

D

G

N

A

G

L

A

F

W

V

V

Q

A

P

P

T

T

V

V

F

F

A

T

D

D

V

C

T

T

D

D

S

D

M

M

T

T

I

I

A

V

R

R

E

E

E
|
E

V

I

F
|
F

G

G

P

P

V

V

M

M

A

S

V

I

L

L

D

S

F

Y

E

D

T

D

E

E

D

A

E

E

V

V

I

I

A

R

R

R

A

A

N

N

G

A

T

T

D

E

F

Y

G

G

L

L

A

A

A

A

G

G

V

V

F

V

T

T

A

P

D

D

L

L

A

N

R

R

G

A

H

H

R

R

V

I

I

I

A

H

Q

Q

L

L

Q

E

A

A

G

G

T

I

T

C

W

W

I

I

N

N

A

S

Y

W

N

G

L

E

T

S

P

P

V

A

E

E

M

M

P

P

F

V

G

G

A

G

V

Y

K

K

S

H

S

S

G

G

V

I

G

G

R

R

E

E

N

N

S

G

K

V

A

M

A

T

I

L

E

Q

H

S

Y

Y

T

T

Q

Q

V

V

K

K

A

S

V

I

Y

Q

V

V

G

E

M

M

G

G

P

P

V

F

E

Q

S

S

P

I

Y

F

binding cytidine-5'-triphosphate: W150 (= W151), G227 (= G227), G228 (≠ S228), A230 (≠ P230), S231 (≠ T231), E385 (= E380), F387 (= F382)

8vr0A Crystal structure of betaine aldehyde dehydrogenase (betb) from klebsiella aerogenes (gmp bound)
54% identity, 99% coverage: 6:483/483 of query aligns to 4:488/488 of 8vr0A

query
sites
8vr0A

E

E

A

Q

S

Q

H

L

F

Y

V

I

N

H

G

G

N

K

W

F

V

V

E

A

D

A

A

T

A

S

G

G

A

K

E

T

I

F

E

E

V

T

I

I

F

N

P

P

G

A

T

T

G

G

E

E

V

V

I

L

A

A

I

T

L

V

H

Q

E

A

A

A

T

G

P

R

A

E

V

D

I

V

E

D

E

R

A

A

L

V

A

K

G

S

A

A

Q

Q

A

Q

A

G

Q

Q

R

K

A

V

W

W

A

A

A

A

L

M

K

S

P

A

V

M

E

A

R

R

A

S

R

R

I

I

L

L

R

R

R

K

A

A

A

V

D

D

L

I

I

L

R

R

A

E

R

R

R

N

A

D

E

E

L

L

A

A

L

R

L

L

E

E

T

T

L

L

D

D

T

T

G

G

K

K

P

P

I

L

Q

S

E

E

T

T

S

A

V

A

A

V

D

D

W

I

P

V

S

T

G

G

A

A

D

D

S

V

L

L

E

E

Y

Y

F

Y

A

A

G

G

L

L

A

I

P

P

T

A

L

L

T

E

G

G

E

S

T

Q

I

I

P

P

L

L

-

R

G

D

G

S

D

S

F

F

A

V

Y

Y

T

T

I

R

R

R

E

E

P

P

L

L

G

G

V

V

C

V

V

A

G

G

I

I

G

G

A

A

W
|
W

N

N

Y

Y

P

P

S

I

Q

Q

I

I

A

A

C

L

W

W

K

K

A

S

A

A

P

P

A

A

L

L

S

A

T

A

G

G

N

N

A

A

M

M

I

I

F

F

K

K

P

P

S

S

E

E

I

V

T

T

P

P

L

L

G

T

A

A

L

L

Q

K

L

L

A

A

A

E

I

I

F

Y

V

R

E

E

A

A

G

G

M

L

P

P

A

D

G

G

V

V

F

F

N

N

V

V

V

L

Q

P

G

G

R

I

G

G

A

A

V

E

G

T

G

G

R

Q

L

Y

A

L

T

T

D

E

S

H

-

P

R

D

V

I

A

A

K

K

V

I

S

S

L

F

T

T

G
|
G

S
x
G

V

V

P

A

T

S

G

G

A

K

K

K

V

V

Y

M

A

A

-

N

A

S

A

A

G

A

A

S

G

S

M

L

K

K

H

E

V

V

T

T

M

M

E

E

L

L

G

G

G

G

K

K

S

S

P

P

L

L

I

I

V

I

F

A

E

E

D

D

A

A

D

N

L

L

E

D

S

L

A

A

I

A

G

D

A

I

A

A

M

M

L

M

G

A

N

N

F

F

Y

Y

S

S

S

S

G

G

Q

Q

I

V

C

C

S

T

N

N

G

G

T

T

R

R

V

V

F

F

V

V

H

P

K

A

A

K

I

F

K

K

E

A

R

E

F

F

L

E

T

H

R

K

L

I

A

L

E

E

R

R

T

V

A

G

A

R

I

I

K

R

A

A

G

G

D

D

P

L

L

F

D

A

E

D

T

D

T

T

Q

N

F

F

G

G

P

P

L

L

V

V

S

S

A

F

A

P

Q
x
H

H

R

A

Q

K

N

V

V

L

L

G

R

Y

Y

I

I

A

E

T

S

A

G

K

K

S

S

E

E

G

G

A

A

R

R

L

L

V

L

C

C

G

G

G

G

-

D

-

V

-

L

-

K

A

G

A

E

G

G

A

F

E

D

G

N

A

G

L

A

F

W

V

V

Q

A

P

P

T

T

V

V

F

F

A

T

D

D

V

C

T

T

D

D

S

D

M

M

T

T

I

I

A

V

R

R

E

E

E
|
E

V

I

F
|
F

G

G

P

P

V

V

M

M

A

S

V

I

L

L

D

S

F

Y

E

D

T

D

E

E

D

A

E

E

V

V

I

I

A

R

R

R

A

A

N

N

G

A

T

T

D

E

F

Y

G

G

L

L

A

A

A

A

G

G

V

V

F

V

T

T

A

P

D

D

L

L

A

N

R

R

G

A

H

H

R

R

V

I

I

I

A

H

Q

Q

L

L

Q

E

A

A

G

G

T

I

T

C

W

W

I

I

N

N

A

S

Y

W

N

G

L

E

T

S

P

P

V

A

E

E

M

M

P

P

F

V

G

G

A

G

V

Y

K

K

S

H

S

S

G

G

V

I

G

G

R

R

E

E

N

N

S

G

K

V

A

M

A

T

I

L

E

Q

H

S

Y

Y

T

T

Q

Q

V

V

K

K

A

S

V

I

Y

Q

V

V

G

E

M

M

G

G

P

P

V

F

E

Q

S

S

P

I

Y

F

binding guanosine-5'-monophosphate: W150 (= W151), G227 (= G227), G228 (≠ S228), H331 (≠ Q330), E385 (= E380), F387 (= F382)

8vqzA Crystal structure of betaine aldehyde dehydrogenase (betb) from klebsiella aerogenes (cmp bound)
54% identity, 99% coverage: 6:483/483 of query aligns to 4:488/488 of 8vqzA

query
sites
8vqzA

E

E

A

Q

S

Q

H

L

F

Y

V

I

N

H

G

G

N

K

W

F

V

V

E

A

D

A

A

T

A

S

G

G

A

K

E

T

I

F

E

E

V

T

I

I

F

N

P

P

G

A

T

T

G

G

E

E

V

V

I

L

A

A

I

T

L

V

H

Q

E

A

A

A

T

G

P

R

A

E

V

D

I

V

E

D

E

R

A

A

L

V

A

K

G

S

A

A

Q

Q

A

Q

A

G

Q

Q

R

K

A

V

W

W

A

A

A

A

L

M

K

S

P

A

V

M

E

A

R

R

A

S

R

R

I

I

L

L

R

R

R

K

A

A

A

V

D

D

L

I

I

L

R

R

A

E

R

R

R

N

A

D

E

E

L

L

A

A

L

R

L

L

E

E

T

T

L

L

D

D

T

T

G

G

K

K

P

P

I

L

Q

S

E

E

T

T

S

A

V

A

A

V

D

D

W

I

P

V

S

T

G

G

A

A

D

D

S

V

L

L

E

E

Y

Y

F

Y

A

A

G

G

L

L

A

I

P

P

T

A

L

L

T

E

G

G

E

S

T

Q

I

I

P

P

L

L

-

R

G

D

G

S

D

S

F

F

A

V

Y

Y

T

T

I

R

R

R

E

E

P

P

L

L

G

G

V

V

C

V

V

A

G

G

I

I

G

G

A

A

W
|
W

N

N

Y

Y

P

P

S

I

Q

Q

I

I

A

A

C

L

W

W

K

K

A

S

A

A

P

P

A

A

L

L

S

A

T

A

G

G

N

N

A

A

M

M

I

I

F

F

K

K

P

P

S

S

E

E

I

V

T

T

P

P

L

L

G

T

A

A

L

L

Q

K

L

L

A

A

A

E

I

I

F

Y

V

R

E

E

A

A

G

G

M

L

P

P

A

D

G

G

V

V

F

F

N

N

V

V

V

L

Q

P

G

G

R

I

G

G

A

A

V

E

G

T

G

G

R

Q

L

Y

A

L

T

T

D

E

S

H

-

P

R

D

V

I

A

A

K

K

V

I

S

S

L

F

T

T

G
|
G

S
x
G

V

V

P

A

T

S

G

G

A

K

K

K

V

V

Y

M

A

A

-

N

A

S

A

A

G

A

A

S

G

S

M

L

K

K

H

E

V

V

T

T

M

M

E

E

L

L

G

G

G

G

K

K

S

S

P

P

L

L

I

I

V

I

F

A

E

E

D

D

A

A

D

N

L

L

E

D

S

L

A

A

I

A

G

D

A

I

A

A

M

M

L

M

G

A

N

N

F

F

Y

Y

S

S

S

S

G

G

Q

Q

I

V

C

C

S

T

N

N

G

G

T

T

R

R

V

V

F

F

V

V

H

P

K

A

A

K

I

F

K

K

E

A

R

E

F

F

L

E

T

H

R

K

L

I

A

L

E

E

R

R

T

V

A

G

A

R

I

I

K

R

A

A

G

G

D

D

P

L

L

F

D

A

E

D

T

D

T

T

Q

N

F

F

G

G

P

P

L

L

V

V

S

S

A

F

A

P

Q
x
H

H

R

A

Q

K
x
N

V

V

L

L

G

R

Y

Y

I

I

A

E

T

S

A

G

K

K

S

S

E

E

G

G

A

A

R

R

L

L

V

L

C

C

G

G

G

G

-

D

-

V

-

L

-

K

A

G

A

E

G

G

A

F

E

D

G

N

A

G

L

A

F

W

V

V

Q

A

P

P

T

T

V

V

F

F

A

T

D

D

V

C

T

T

D

D

S

D

M

M

T

T

I

I

A

V

R

R

E

E

E
|
E

V

I

F
|
F

G

G

P

P

V

V

M

M

A

S

V

I

L

L

D

S

F

Y

E

D

T

D

E

E

D

A

E

E

V

V

I

I

A

R

R

R

A

A

N

N

G

A

T

T

D

E

F

Y

G

G

L

L

A

A

A

A

G

G

V

V

F

V

T

T

A

P

D

D

L

L

A

N

R

R

G

A

H

H

R

R

V

I

I

I

A

H

Q

Q

L

L

Q

E

A

A

G

G

T

I

T

C

W

W

I

I

N

N

A

S

Y

W

N

G

L

E

T

S

P

P

V

A

E

E

M

M

P

P

F

V

G

G

A

G

V

Y

K

K

S

H

S

S

G

G

V

I

G

G

R

R

E

E

N

N

S

G

K

V

A

M

A

T

I

L

E

Q

H

S

Y

Y

T

T

Q

Q

V

V

K

K

A

S

V

I

Y

Q

V

V

G

E

M

M

G

G

P

P

V

F

E

Q

S

S

P

I

Y

F

binding cytidine-5'-monophosphate: W150 (= W151), G227 (= G227), G228 (≠ S228), H331 (≠ Q330), N334 (≠ K333), E385 (= E380), F387 (= F382)

8vqwC Crystal structure of betaine aldehyde dehydrogenase (betb) from klebsiella aerogenes (coa bound)
54% identity, 99% coverage: 6:483/483 of query aligns to 4:488/488 of 8vqwC

query
sites
8vqwC

E

E

A

Q

S

Q

H

L

F

Y

V

I

N

H

G

G

N

K

W

F

V

V

E

A

D

A

A

T

A

S

G

G

A

K

E

T

I

F

E

E

V

T

I

I

F

N

P

P

G

A

T

T

G

G

E

E

V

V

I

L

A

A

I

T

L

V

H

Q

E

A

A

A

T

G

P

R

A

E

V

D

I

V

E

D

E

R

A

A

L

V

A

K

G

S

A

A

Q

Q

A

Q

A

G

Q

Q

R

K

A

V

W

W

A

A

A

A

L

M

K

S

P

A

V

M

E

A

R

R

A

S

R

R

I

I

L

L

R

R

R

K

A

A

A

V

D

D

L

I

I

L

R

R

A

E

R

R

R

N

A

D

E

E

L

L

A

A

L

R

L

L

E

E

T

T

L

L

D

D

T

T

G

G

K

K

P

P

I

L

Q

S

E

E

T

T

S

A

V

A

A

V

D

D

W

I

P

V

S

T

G

G

A

A

D

D

S

V

L

L

E

E

Y

Y

F

Y

A

A

G

G

L

L

A

I

P

P

T

A

L

L

T

E

G

G

E

S

T

Q

I

I

P

P

L

L

-

R

G

D

G

S

D

S

F

F

A

V

Y

Y

T

T

I

R

R

R

E

E

P

P

L

L

G

G

V

V

C

V

V

A

G

G

I
|
I

G

G

A

A

W
|
W

N

N

Y

Y

P

P

S

I

Q

Q

I

I

A

A

C

L

W

W

K

K

A

S

A

A

P

P

A

A

L

L

S

A

T

A

G

G

N

N

A

A

M

M

I

I

F

F

K
|
K

P

P

S
|
S

E
|
E

I

V

T

T

P

P

L

L

G

T

A

A

L

L

Q

K

L

L

A

A

A

E

I

I

F

Y

V

R

E

E

A

A

G

G

M

L

P

P

A

D

G

G

V

V

F

F

N

N

V

V

V

L

Q

P

G

G

R

I

G
|
G

A

A

V

E

G

T

G
|
G

R

Q

L

Y

A

L

T

T

D

E

S

H

-

P

R

D

V

I

A

A

K

K

V

I

S

S

L
x
F

T

T

G
|
G

S
x
G

V

V

P

A

T
x
S

G

G

A

K

K

K

V

V

Y

M

A

A

-

N

A

S

A

A

G

A

A

S

G

S

M

L

K

K

H

E

V

V

T

T

M

M

E

E

L

L

G

G

G

G

K

K

S

S

P

P

L

L

I

I

V

I

F

A

E

E

D

D

A

A

D

N

L

L

E

D

S

L

A

A

I

A

G

D

A

I

A

A

M

M

L

M

G

A

N

N

F

F

Y

Y

S

S

S

S

G

G

Q

Q

I

V

C

C

S

T

N

N

G

G

T

T

R

R

V

V

F

F

V

V

H

P

K

A

A

K

I

F

K

K

E

A

R

E

F

F

L

E

T

H

R

K

L

I

A

L

E

E

R

R

T

V

A

G

A

R

I

I

K

R

A

A

G

G

D

D

P

L

L

F

D

A

E

D

T

D

T

T

Q

N

F

F

G

G

P

P

L

L

V

V

S

S

A

F

A

P

Q
x
H

H

R

A

Q

K

N

V

V

L

L

G

R

Y

Y

I

I

A

E

T

S

A

G

K

K

S

S

E

E

G

G

A

A

R

R

L

L

V

L

C

C

G

G

G

G

-

D

-

V

-

L

-

K

A

G

A

E

G

G

A

F

E

D

G

N

A

G

L

A

F

W

V

V

Q

A

P

P

T

T

V

V

F

F

A

T

D

D

V

C

T

T

D

D

S

D

M

M

T

T

I

I

A

V

R

R

E

E

E

E

V

I

F
|
F

G

G

P

P

V

V

M

M

A

S

V

I

L

L

D

S

F

Y

E

D

T

D

E

E

D

A

E

E

V

V

I

I

A

R

R

R

A

A

N

N

G

A

T

T

D

E

F

Y

G

G

L

L

A

A

A

A

G

G

V

V

F

V

T

T

A

P

D

D

L

L

A

N

R

R

G

A

H

H

R

R

V

I

I

I

A

H

Q

Q

L

L

Q

E

A

A

G

G

T

I

T

C

W

W

I

I

N

N

A

S

Y

W

N

G

L

E

T

S

P

P

V

A

E

E

M

M

P

P

F

V

G

G

A

G

V

Y

K

K

S

H

S

S

G

G

V

I

G

G

R

R

E

E

N

N

S

G

K

V

A

M

A

T

I

L

E

Q

H

S

Y

Y

T

T

Q

Q

V

V

K

K

A

S

V

I

Y

Q

V

V

G

E

M

M

G

G

P

P

V

F

E

Q

S

S

P

I

Y

F

binding coenzyme a: I147 (= I148), W150 (= W151), K174 (= K175), S176 (= S177), E177 (= E178), G207 (= G208), G211 (= G212), F225 (≠ L225), G227 (= G227), G228 (≠ S228), S231 (≠ T231), H331 (≠ Q330), F387 (= F382)

8vj3A Crystal structure of betaine aldehyde dehydrogenase (betb) from klebsiella aerogenes (fad bound)
54% identity, 99% coverage: 6:483/483 of query aligns to 4:488/488 of 8vj3A

query
sites
8vj3A

E

E

A

Q

S

Q

H

L

F

Y

V

I

N

H

G

G

N

K

W

F

V

V

E

A

D

A

A

T

A

S

G

G

A

K

E

T

I

F

E

E

V

T

I

I

F

N

P

P

G

A

T

T

G

G

E

E

V

V

I

L

A

A

I

T

L

V

H

Q

E

A

A

A

T

G

P

R

A

E

V

D

I

V

E

D

E

R

A

A

L

V

A

K

G

S

A

A

Q

Q

A

Q

A

G

Q

Q

R

K

A

V

W

W

A

A

A

A

L

M

K

S

P

A

V

M

E

A

R

R

A

S

R

R

I

I

L

L

R

R

R

K

A

A

A

V

D

D

L

I

I

L

R

R

A

E

R

R

R

N

A

D

E

E

L

L

A

A

L

R

L

L

E

E

T

T

L

L

D

D

T

T

G

G

K

K

P

P

I

L

Q

S

E

E

T

T

S

A

V

A

A

V

D

D

W

I

P

V

S

T

G

G

A

A

D

D

S

V

L

L

E

E

Y

Y

F

Y

A

A

G

G

L

L

A

I

P

P

T

A

L

L

T

E

G

G

E

S

T

Q

I

I

P

P

L

L

-

R

G

D

G

S

D

S

F

F

A

V

Y

Y

T

T

I

R

R

R

E

E

P

P

L

L

G

G

V

V

C

V