SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing GFF2135 FitnessBrowser__Phaeo:GFF2135 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)

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)
56% identity, 98% coverage: 12:485/485 of query aligns to 10:490/490 of Q9HTJ1

query
sites
Q9HTJ1

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GAWN 150:153 (= GAWN 151:154) binding NADPH
K162 (= K163) active site, Charge relay system
KPSE 176:179 (= KPSE 177:180) binding NADPH
G209 (= G210) binding NADPH
GTST 230:233 (≠ SVPT 230:233) binding NADPH
E252 (= E251) active site, Proton acceptor
C286 (= C285) binding covalent; modified: Cysteine sulfenic acid (-SOH)
E387 (= E382) binding NADPH
E464 (= E459) active site, Charge relay system

4cazA Crystal structure of betaine aldehyde dehydrogenase from pseudomonas aeruginosa in complex with nadh
56% identity, 98% coverage: 12:485/485 of query aligns to 9:489/489 of 4cazA

query
sites
4cazA

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active site: N152 (= N154), K175 (= K177), E251 (= E251), C285 (= C285), E386 (= E382), E463 (= E459)
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 (= I150), G149 (= G151), W151 (= W153), N152 (= N154), K175 (= K177), E178 (= E180), G208 (= G210), G212 (= G213), F226 (≠ L227), T227 (= T228), G228 (= G229), G229 (≠ S230), T232 (= T233), V236 (= V237), E251 (= E251), L252 (= L252), C285 (= C285), E386 (= E382), F388 (= F384)

2woxA Betaine aldehyde dehydrogenase from pseudomonas aeruginosa with NAD(p) h-catalytic thiol adduct. (see paper)
56% identity, 98% coverage: 12:485/485 of query aligns to 9:489/489 of 2woxA

query
sites
2woxA

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G

K

K

S

S

P

P

L

L

I

I

I

I

F

F

D

P

D

D

A

A

D

D

I

L

D

D

N

R

A

A

V

A

G

D

G

I

A

A

I

V

N

M

G

A

N

N

F

F

Y

F

S

S

S

S

G

G

Q

Q

V

V

C
|
C

S

T

N

N

G

G

T

T

R

R

V

V

F

F

V

I

Q

H

K

R

G

S

I

Q

K

Q

E

A

K

R

F

F

L

E

A

A

R

K

L

V

A

L

E

E

R

R

T

V

G

Q

N

R

A

I

I

R

L

L

G

G

D

D

P

P

M

Q

D

D

E

E

A

N

T

T

S

N

F

F

G

G

P

P

M

L

V

V

T

S

E

F

N

P

Q

H

M

M

N

E

I

S

V

V

L

L

G

G

Y

Y

I

I

E

E

K

S

G

G

K

K

E

A

E

Q

G

K

A

A

R

R

L

L

I

L

C

C

G

G

G

G

R

E

R

R

-

V

-

T

-

D

-

G

A

A

D

F

M

G

D

K

G

G

Y

A

F

Y

I

V

E

A

P

P

T

T

V

V

F

F

A

T

D

D

V

C

T

R

D

D

D

D

M

M

T

T

I

I

A

V

R

R

E

E

E
|
E

I

I

F
|
F

G

G

P

P

V

V

M

M

S

S

V

I

L

L

D

V

F

Y

D

D

T

D

E

E

E

D

E

E

V

A

V

I

A

R

R

R

A

A

N

N

D

D

T

T

E

E

F

Y

G

G

L

L

S

A

A

A

G

G

V

V

F

V

T

T

K

Q

D

D

F

L

T

A

R

R

A

A

H

H

R

R

V

A

I

I

G

H

N

R

L

L

E

E

A

A

G

G

S

I

C

C

F

W

I

I

N

N

S

T

Y

W

N

G

D

E

A

S

P

P

V

A

E

E

A

M

P

P

F

V

G

G

G

G

V

Y

K

K

A

Q

S

S

G

G

V

V

G

G

R

R

E
|
E

N

N

S

G

K

L

E

T

A

T

I

L

K

A

H

H

F

Y

S

T

Q

R

V

I

K

K

S

S

V

V

Y

Q

V

V

R

E

M

L

G

G

D

D

V

Y

E

A

A

S

A

V

F

F

active site: N152 (= N154), K175 (= K177), E251 (= E251), C285 (= C285), E386 (= E382), E463 (= E459)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: I148 (= I150), G149 (= G151), W151 (= W153), N152 (= N154), K175 (= K177), S177 (= S179), E178 (= E180), G208 (= G210), G212 (= G213), F226 (≠ L227), T227 (= T228), G228 (= G229), G229 (≠ S230), T232 (= T233), V236 (= V237), E251 (= E251), L252 (= L252), C285 (= C285), E386 (= E382), F388 (= F384)

2wmeA Crystallographic structure of betaine aldehyde dehydrogenase from pseudomonas aeruginosa (see paper)
56% identity, 98% coverage: 12:485/485 of query aligns to 9:489/489 of 2wmeA

query
sites
2wmeA

F

Y

I

I

N

G

G

G

E

R

Y

Y

V

V

E

E

D

A

T

S

A

S

G

G

T

A

P

T

I

F

P

E

V

T

I

I

Y

N

A

P

A

A

T

N

G

G

E

E

Q

V

I

L

A

A

T

K

V

V

H

Q

A

R

A

A

T

S

P

R

A

E

I

D

V

V

E

E

Q

R

A

A

L

V

S

Q

T

S

A

A

K

V

A

E

A

G

Q

Q

K

K

A

V

W

W

A

A

R

A

M

M

T

T

G

A

T

M

E

Q

R

R

G

S

R

R

I

I

L

L

R

R

R

R

A

A

A

V

D

D

I

I

M

L

R

R

E

E

R

R

N

N

H

D

D

E

L

L

S

A

V

A

L

L

E

E

T

T

Y

L

D

D

T

T

G

G

K

K

P

P

L

L

Q

A

E

E

T

T

L

R

V

S

A

V

D

D

A

I

T

V

S

T

G

G

A

A

D

D

A

V

L

L

E

E

Y

Y

F

Y

G

A

G

G

L

L

A

V

A

P

S

A

L

I

T

E

G

G

E

E

H

Q

I

I

P

P

L

L

G

R

E

E

-

T

D

S

W

F

V

V

Y

Y

T

T

K

R

R

R

E

E

A

P

L

L

G

G

L

V

C

V

V

A

G

G

I

I

G
|
G

A

A

W
|
W

N
|
N

Y

Y

P

P

T

V

Q

Q

I

I

A

A

C

L

W

W

K

K

G

S

A

A

P

P

A

A

L

L

A

A

C

A

G

G

N

N

S

A

M

M

V

I

F

F

K
|
K

P

P

S
|
S

E
|
E

T

V

T

T

P

P

L

L

C

T

A

A

L

L

K

K

V

L

A

A

E

E

I

I

L

Y

I

T

E

E

A

A

G

G

A

V

P

P

A

D

G

G

V

V

F

F

N

N

V

V

V

L

Q

T

G

G

M

S

G
|
G

-

R

E

E

V

V

G
|
G

G

Q

A

W

L

L

V

T

T

E

D

H

P

P

R

L

V

I

D

E

K

K

V

I

S

S

L
x
F

T

T

G
|
G

S
x
G

V

T

P

S

T
|
T

G

G

K

K

K

K

V
|
V

Y

M

A

A

A

S

A

A

A

S

E

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

I

I

F

F

D

P

D

D

A

A

D

D

I

L

D

D

N

R

A

A

V

A

G

D

G

I

A

A

I

V

N

M

G

A

N

N

F

F

Y

F

S

S

S

S

G

G

Q

Q

V

V

C
|
C

S

T

N

N

G

G

T

T

R

R

V

V

F

F

V

I

Q

H

K

R

G

S

I

Q

K

Q

E

A

K

R

F

F

L

E

A

A

R

K

L

V

A

L

E

E

R

R

T

V

G

Q

N

R

A

I

I

R

L

L

G

G

D

D

P

P

M

Q

D

D

E

E

A

N

T

T

S

N

F

F

G

G

P

P

M

L

V

V

T

S

E

F

N

P

Q

H

M

M

N

E

I

S

V

V

L

L

G

G

Y

Y

I

I

E

E

K

S

G

G

K

K

E

A

E

Q

G

K

A

A

R

R

L

L

I

L

C

C

G

G

G

G

R

E

R

R

-

V

-

T

-

D

-

G

A

A

D

F

M

G

D

K

G

G

Y

A

F

Y

I

V

E

A

P

P

T

T

V

V

F

F

A

T

D

D

V

C

T

R

D

D

D

D

M

M

T

T

I

I

A

V

R

R

E

E

E
|
E

I

I

F

F

G

G

P

P

V

V

M

M

S

S

V

I

L

L

D

V

F

Y

D

D

T

D

E

E

E

D

E

E

V

A

V

I

A

R

R

R

A

A

N

N

D

D

T

T

E

E

F

Y

G

G

L

L

S

A

A

A

G

G

V

V

F

V

T

T

K

Q

D

D

F

L

T

A

R

R

A

A

H

H

R

R

V

A

I

I

G

H

N

R

L

L

E

E

A

A

G

G

S

I

C

C

F

W

I

I

N

N

S

T

Y

W

N

G

D

E

A

S

P

P

V

A

E

E

A

M

P

P

F

V

G

G

G

G

V

Y

K

K

A

Q

S

S

G

G

V

V

G

G

R

R

E
|
E

N

N

S

G

K

L

E

T

A

T

I

L

K

A

H

H

F

Y

S

T

Q

R

V

I

K

K

S

S

V

V

Y

Q

V

V

R

E

M

L

G

G

D

D

V

Y

E

A

A

S

A

V

F

F

active site: N152 (= N154), K175 (= K177), E251 (= E251), C285 (= C285), E386 (= E382), E463 (= E459)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G149 (= G151), W151 (= W153), K175 (= K177), S177 (= S179), E178 (= E180), G208 (= G210), G212 (= G213), F226 (≠ L227), G228 (= G229), G229 (≠ S230), T232 (= T233), V236 (= V237)

6wsbA Crystal structure of a betaine aldehyde dehydrogenase from burkholderia pseudomallei bound to cofactor NAD (see paper)
54% identity, 98% coverage: 12:485/485 of query aligns to 9:488/489 of 6wsbA

query
sites
6wsbA

F

Y

I

I

N

A

G

G

E

A

Y

H

V

A

E

D

D

A

T

T

A

S

G

G

T

K

P

T

I

F

P

D

V

T

I

F

Y

D

A

P

A

A

T

T

G

G

E

E

Q

L

I

L

A

A

T

R

V

V

H

Q

A

Q

A

A

T

S

P

A

A

D

I

D

V

V

E

D

Q

R

A

A

L

V

S

A

T

S

A

A

K

R

A

E

A

G

Q

Q

K

R

A

E

W

W

A

A

R

A

M

M

T

T

G

A

T

M

E

Q

R

R

G

S

R

R

I

I

L

L

R

R

R

R

A

A

A

V

D

E

I

L

M

L

R

R

E

E

R

R

N

N

H

D

D

A

L

L

S

A

V

E

L

L

E

E

T

M

Y

R

D

D

T

T

G

G

K

K

P

P

L

I

Q

A

E

E

T

T

L

R

V

A

A

V

D

D

A

I

T

V

S

T

G

G

A

A

D

D

A

V

L

I

E

E

Y

Y

F

Y

G

A

G

G

L

L

A

A

A

T

S

A

L

I

T

E

G

G

E

L

H

Q

I

V

P

P

L

L

G

R

-

P

E

E

D

S

W

F

V

V

Y

Y

T

T

K

R

R

R

E

E

A

P

L

L

G

G

L

V

C

C

V

A

G

G

I
|
I

G
|
G

A
|
A

W
|
W

N
|
N

Y

Y

P

P

T

I

Q

Q

I

I

A

A

C

C

W

W

K

K

G

S

A

A

P

P

A

A

L

L

A

A

C

A

G

G

N

N

S

A

M

M

V

I

F

F

K
|
K

P

P

S

S

E
|
E

T

V

T

T

P

P

L

L

C

S

A

A

L

L

K

K

V

L

A

A

E

E

I

I

L

Y

I

T

E

E

A

A

G

G

A

V

P

P

A

A

G

G

V

V

F

F

N

N

V

V

V

V

Q

Q

G

G

M

D

G
|
G

E

S

V

V

G
|
G

G
x
A

A

L

L

L

V

S

T

A

D

H

P

P

R

G

V

I

D

A

K

K

V

V

S

S

L
x
F

T
|
T

G
|
G

S
x
G

V

V

P

E

T
|
T

G

G

K

K

K

K

V
|
V

Y

M

A

S

-

L

A

A

A

G

A

A

E

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

I

V

F

F

D

D

D

D

A

A

D

D

I

L

D

D

N

R

A

A

V

A

G

D

G

I

A

A

I

V

N

T

G

A

N

N

F

F

Y

F

S

S

S

A

G

G

Q

Q

V

V

C
|
C

S

T

N

N

G

G

T

T

R

R

V

V

F

F

V

V

Q

Q

K

Q

G

A

I

V

K

K

E

D

K

A

F

F

L

V

A

E

R

R

L

V

A

L

E

A

R

R

T

V

G

A

N

R

A

I

I

R

L

V

G

G

D

K

P

P

M

S

D

D

E

S

A

D

T

T

S

N

F

F

G

G

P

P

M

L

V

A

T

S

E

A

N

A

Q

Q

M

L

N

D

I

K

V

V

L

L

G

G

Y

Y

I

I

E

D

K

S

G

G

K

K

E

A

E

E

G

G

A

A

R

K

L

L

I

L

C

A

G

G

G

G

R

A

R

R

A

L

D

V

M

N

D

D

-

H

-

F

-

A

-

S

G

G

Y

Q

F

Y

I

V

E

A

P

P

T

T

V

V

F

F

A

G

D

D

V

C

T

R

D

D

D

D

M

M

T

R

I

I

A

V

R

R

E

E

E
|
E

I

I

F
|
F

G

G

P

P

V

V

M

M

S

S

V

I

L

L

D

S

F

F

D

E

T

T

E

E

E

D

E

E

V

A

V

I

A

A

R

R

A

A

N

N

D

A

T

T

E

D

F

Y

G

G

L

L

S

A

A

A

G

G

V

V

F

V

T

T

K

E

D

N

F

L

T

S

R

R

A

A

H

H

R

R

V

A

I

I

G

H

N

R

L

L

E

E

A

A

G

G

S

I

C

C

F

W

I

I

N

N

S

T

Y

W

N

G

D

E

A

S

P

P

V

A

E

E

A

M

P

P

F

V

G

G

G

G

V

Y

K

K

A

Q

S

S

G

G

V

V

G

G

R

R

E
|
E

N

N

S

G

K

I

E

T

A

T

I

L

K

E

H

H

F

Y

S

T

Q

R

V

I

K

K

S

S

V

V

Y

Q

V

V

R

E

M

L

G

G

D

R

V

Y

E

Q

A

P

A

V

F

F

active site: N152 (= N154), E250 (= E251), C284 (= C285), E462 (= E459)
binding nicotinamide-adenine-dinucleotide: I148 (= I150), G149 (= G151), A150 (= A152), W151 (= W153), N152 (= N154), K175 (= K177), E178 (= E180), G208 (= G210), G211 (= G213), A212 (≠ G214), F225 (≠ L227), T226 (= T228), G227 (= G229), G228 (≠ S230), T231 (= T233), V235 (= V237), E250 (= E251), L251 (= L252), G252 (= G253), C284 (= C285), E385 (= E382), F387 (= F384)

8vr1A Crystal structure of betaine aldehyde dehydrogenase (betb) from klebsiella aerogenes (ctp bound)
55% identity, 98% coverage: 12:485/485 of query aligns to 8:488/488 of 8vr1A

query
sites
8vr1A

F

Y

I

I

N

H

G

G

E

K

Y

F

V

V

E

A

D

A

T

T

A

S

G

G

T

K

P

T

I

F

P

E

V

T

I

I

Y

N

A

P

A

A

T

T

G

G

E

E

Q

V

I

L

A

A

T

T

V

V

H

Q

A

A

A

A

T

G

P

R

A

E

I

D

V

V

E

D

Q

R

A

A

L

V

S

K

T

S

A

A

K

Q

A

Q

A

G

Q

Q

K

K

A

V

W

W

A

A

R

A

M

M

T

S

G

A

T

M

E

A

R

R

G

S

R

R

I

I

L

L

R

R

R

K

A

A

A

V

D

D

I

I

M

L

R

R

E

E

R

R

N

N

H

D

D

E

L

L

S

A

V

R

L

L

E

E

T

T

Y

L

D

D

T

T

G

G

K

K

P

P

L

L

Q

S

E

E

T

T

L

A

V

A

A

V

D

D

A

I

T

V

S

T

G

G

A

A

D

D

A

V

L

L

E

E

Y

Y

F

Y

G

A

G

G

L

L

A

I

A

P

S

A

L

L

T

E

G

G

E

S

H

Q

I

I

P

P

L

L

G

R

E

D

D

S

-

S

W

F

V

V

Y

Y

T

T

K

R

R

R

E

E

A

P

L

L

G

G

L

V

C

V

V

A

G

G

I

I

G

G

A

A

W
|
W

N

N

Y

Y

P

P

T

I

Q

Q

I

I

A

A

C

L

W

W

K

K

G

S

A

A

P

P

A

A

L

L

A

A

C

A

G

G

N

N

S

A

M

M

V

I

F

F

K

K

P

P

S

S

E

E

T

V

T

T

P

P

L

L

C

T

A

A

L

L

K

K

V

L

A

A

E

E

I

I

L

Y

I

R

E

E

A

A

G

G

A

L

P

P

A

D

G

G

V

V

F

F

N

N

V

V

V

L

Q

P

G

G

M

I

G

G

-

A

E

E

V

T

G

G

G

Q

A

Y

L

L

V

T

T

E

D

H

P

P

R

D

V

I

D

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

K

K

K

K

V

V

Y

M

A

A

-

N

A

S

A

A

A

A

E

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

I

I

F

A

D

E

D

D

A

A

D

N

I

L

D

D

N

L

A

A

V

A

G

D

G

I

A

A

I

M

N

M

G

A

N

N

F

F

Y

Y

S

S

S

S

G

G

Q

Q

V

V

C

C

S

T

N

N

G

G

T

T

R

R

V

V

F

F

V

V

Q

P

K

A

G

K

I

F

K

K

E

A

K

E

F

F

L

E

A

H

R

K

L

I

A

L

E

E

R

R

T

V

G

G

N

R

A

I

I

R

L

A

G

G

D

D

P

L

M

F

D

A

E

D

A

D

T

T

S

N

F

F

G

G

P

P

M

L

V

V

T

S

E

F

N

P

Q

H

M

R

N

Q

I

N

V

V

L

L

G

R

Y

Y

I

I

E

E

K

S

G

G

K

K

E

S

E

E

G

G

A

A

R

R

L

L

I

L

C

C

G

G

G

G

R

D

R

V

A

L

D

K

M

G

D

E

G

G

Y

F

-

D

-

N

-

G

-

A

F

W

I

V

E

A

P

P

T

T

V

V

F

F

A

T

D

D

V

C

T

T

D

D

D

D

M

M

T

T

I

I

A

V

R

R

E

E

E
|
E

I

I

F
|
F

G

G

P

P

V

V

M

M

S

S

V

I

L

L

D

S

F

Y

D

D

T

D

E

E

E

A

E

E

V

V

V

I

A

R

R

R

A

A

N

N

D

A

T

T

E

E

F

Y

G

G

L

L

S

A

A

A

G

G

V

V

F

V

T

T

K

P

D

D

F

L

T

N

R

R

A

A

H

H

R

R

V

I

I

I

G

H

N

Q

L

L

E

E

A

A

G

G

S

I

C

C

F

W

I

I

N

N

S

S

Y

W

N

G

D

E

A

S

P

P

V

A

E

E

A

M

P

P

F

V

G

G

G

G

V

Y

K

K

A

H

S

S

G

G

V

I

G

G

R

R

E

E

N

N

S

G

K

V

E

M

A

T

I

L

K

Q

H

S

F

Y

S

T

Q

Q

V

V

K

K

S

S

V

I

Y

Q

V

V

R

E

M

M

G

G

D

P

V

F

E

Q

A

S

A

I

F

F

binding cytidine-5'-triphosphate: W150 (= W153), G227 (= G229), G228 (≠ S230), A230 (≠ P232), S231 (≠ T233), E385 (= E382), F387 (= F384)

8vr0A Crystal structure of betaine aldehyde dehydrogenase (betb) from klebsiella aerogenes (gmp bound)
55% identity, 98% coverage: 12:485/485 of query aligns to 8:488/488 of 8vr0A

query
sites
8vr0A

F

Y

I

I

N

H

G

G

E

K

Y

F

V

V

E

A

D

A

T

T

A

S

G

G

T

K

P

T

I

F

P

E

V

T

I

I

Y

N

A

P

A

A

T

T

G

G

E

E

Q

V

I

L

A

A

T

T

V

V

H

Q

A

A

A

A

T

G

P

R

A

E

I

D

V

V

E

D

Q

R

A

A

L

V

S

K

T

S

A

A

K

Q

A

Q

A

G

Q

Q

K

K

A

V

W

W

A

A

R

A

M

M

T

S

G

A

T

M

E

A

R

R

G

S

R

R

I

I

L

L

R

R

R

K

A

A

A

V

D

D

I

I

M

L

R

R

E

E

R

R

N

N

H

D

D

E

L

L

S

A

V

R

L

L

E

E

T

T

Y

L

D

D

T

T

G

G

K

K

P

P

L

L

Q

S

E

E

T

T

L

A

V

A

A

V

D

D

A

I

T

V

S

T

G

G

A

A

D

D

A

V

L

L

E

E

Y

Y

F

Y

G

A

G

G

L

L

A

I

A

P

S

A

L

L

T

E

G

G

E

S

H

Q

I

I

P

P

L

L

G

R

E

D

D

S

-

S

W

F

V

V

Y

Y

T

T

K

R

R

R

E

E

A

P

L

L

G

G

L

V

C

V

V

A

G

G

I

I

G

G

A

A

W
|
W

N

N

Y

Y

P

P

T

I

Q

Q

I

I

A

A

C

L

W

W

K

K

G

S

A

A

P

P

A

A

L

L

A

A

C

A

G

G

N

N

S

A

M

M

V

I

F

F

K

K

P

P

S

S

E

E

T

V

T

T

P

P

L

L

C

T

A

A

L

L

K

K

V

L

A

A

E

E

I

I

L

Y

I

R

E

E

A

A

G

G

A

L

P

P

A

D

G

G

V

V

F

F

N

N

V

V

V

L

Q

P

G

G

M

I

G

G

-

A

E

E

V

T

G

G

G

Q

A

Y

L

L

V

T

T

E

D

H

P

P

R

D

V

I

D

A

K

K

V

I

S

S

L

F

T

T

G
|
G

S
x
G

V

V

P

A

T

S

G

G

K

K

K

K

V

V

Y

M

A

A

-

N

A

S

A

A

A

A

E

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

I

I

F

A

D

E

D

D

A

A

D

N

I

L

D

D

N

L

A

A

V

A

G

D

G

I

A

A

I

M

N

M

G

A

N

N

F

F

Y

Y

S

S

S

S

G

G

Q

Q

V

V

C

C

S

T

N

N

G

G

T

T

R

R

V

V

F

F

V

V

Q

P

K

A

G

K

I

F

K

K

E

A

K

E

F

F

L

E

A

H

R

K

L

I

A

L

E

E

R

R

T

V

G

G

N

R

A

I

I

R

L

A

G

G

D

D

P

L

M

F

D

A

E

D

A

D

T

T

S

N

F

F

G

G

P

P

M

L

V

V

T

S

E

F

N

P

Q
x
H

M

R

N

Q

I

N

V

V

L

L

G

R

Y

Y

I

I

E

E

K

S

G

G

K

K

E

S

E

E

G

G

A

A

R

R

L

L

I

L

C

C

G

G

G

G

R

D

R

V

A

L

D

K

M

G

D

E

G

G

Y

F

-

D

-

N

-

G

-

A

F

W

I

V

E

A

P

P

T

T

V

V

F

F

A

T

D

D

V

C

T

T

D

D

D

D

M

M

T

T

I

I

A

V

R

R

E

E

E
|
E

I

I

F
|
F

G

G

P

P

V

V

M

M

S

S

V

I

L

L

D

S

F

Y

D

D

T

D

E

E

E

A

E

E

V

V

V

I

A

R

R

R

A

A

N

N

D

A

T

T

E

E

F

Y

G

G

L

L

S

A

A

A

G

G

V

V

F

V

T

T

K

P

D

D

F

L

T

N

R

R

A

A

H

H

R

R

V

I

I

I

G

H

N

Q

L

L

E

E

A

A

G

G

S

I

C

C

F

W

I

I

N

N

S

S

Y

W

N

G

D

E

A

S

P

P

V

A

E

E

A

M

P

P

F

V

G

G

G

G

V

Y

K

K

A

H

S

S

G

G

V

I

G

G

R

R

E

E

N

N

S

G

K

V

E

M

A

T

I

L

K

Q

H

S

F

Y

S

T

Q

Q

V

V

K

K

S

S

V

I

Y

Q

V

V

R

E

M

M

G

G

D

P

V

F

E

Q

A

S

A

I

F

F

binding guanosine-5'-monophosphate: W150 (= W153), G227 (= G229), G228 (≠ S230), H331 (≠ Q332), E385 (= E382), F387 (= F384)

8vqzA Crystal structure of betaine aldehyde dehydrogenase (betb) from klebsiella aerogenes (cmp bound)
55% identity, 98% coverage: 12:485/485 of query aligns to 8:488/488 of 8vqzA

query
sites
8vqzA

F

Y

I

I

N

H

G

G

E

K

Y

F

V

V

E

A

D

A

T

T

A

S

G

G

T

K

P

T

I

F

P

E

V

T

I

I

Y

N

A

P

A

A

T

T

G

G

E

E

Q

V

I

L

A

A

T

T

V

V

H

Q

A

A

A

A

T

G

P

R

A

E

I

D

V

V

E

D

Q

R

A

A

L

V

S

K

T

S

A

A

K

Q

A

Q

A

G

Q

Q

K

K

A

V

W

W

A

A

R

A

M

M

T

S

G

A

T

M

E

A

R

R

G

S

R

R

I

I

L

L

R

R

R

K

A

A

A

V

D

D

I

I

M

L

R

R

E

E

R

R

N

N

H

D

D

E

L

L

S

A

V

R

L

L

E

E

T

T

Y

L

D

D

T

T

G

G

K

K

P

P

L

L

Q

S

E

E

T

T

L

A

V

A

A

V

D

D

A

I

T

V

S

T

G

G

A

A

D

D

A

V

L

L

E

E

Y

Y

F

Y

G

A

G

G

L

L

A

I

A

P

S

A

L

L

T

E

G

G

E

S

H

Q

I

I

P

P

L

L

G

R

E

D

D

S

-

S

W

F

V

V

Y

Y

T

T

K

R

R

R

E

E

A

P

L

L

G

G

L

V

C

V

V

A

G

G

I

I

G

G

A

A

W
|
W

N

N

Y

Y

P

P

T

I

Q

Q

I

I

A

A

C

L

W

W

K

K

G

S

A

A

P

P

A

A

L

L

A

A

C

A

G

G

N

N

S

A

M

M

V

I

F

F

K

K

P

P

S

S

E

E

T

V

T

T

P

P

L

L

C

T

A

A

L

L

K

K

V

L

A

A

E

E

I

I

L

Y

I

R

E

E

A

A

G

G

A

L

P

P

A

D

G

G

V

V

F

F

N

N

V

V

V

L

Q

P

G

G

M

I

G

G

-

A

E

E

V

T

G

G

G

Q

A

Y

L

L

V

T

T

E

D

H

P

P

R

D

V

I

D

A

K

K

V

I

S

S

L

F

T

T

G
|
G

S
x
G

V

V

P

A

T

S

G

G

K

K

K

K

V

V

Y

M

A

A

-

N

A

S

A

A

A

A

E

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

I

I

F

A

D

E

D

D

A

A

D

N

I

L

D

D

N

L

A

A

V

A

G

D

G

I

A

A

I

M

N

M

G

A

N

N

F

F

Y

Y

S

S

S

S

G

G

Q

Q

V

V

C

C

S

T

N

N

G

G

T

T

R

R

V

V

F

F

V

V

Q

P

K

A

G

K

I

F

K

K

E

A

K

E

F

F

L

E

A

H

R

K

L

I

A

L

E

E

R

R

T

V

G

G

N

R

A

I

I

R

L

A

G

G

D

D

P

L

M

F

D

A

E

D

A

D

T

T

S

N

F

F

G

G

P

P

M

L

V

V

T

S

E

F

N

P

Q
x
H

M

R

N

Q

I
x
N

V

V

L

L

G

R

Y

Y

I

I

E

E

K

S

G

G

K

K

E

S

E

E

G

G

A

A

R

R

L

L

I

L

C

C

G

G

G

G

R

D

R

V

A

L

D

K

M

G

D

E

G

G

Y

F

-

D

-

N

-

G

-

A

F

W

I

V

E

A

P

P

T

T

V

V

F

F

A

T

D

D

V

C

T

T

D

D

D

D

M

M

T

T

I

I

A

V

R

R

E

E

E
|
E

I

I

F
|
F

G

G

P

P

V

V

M

M

S

S

V

I

L

L

D

S

F

Y

D

D

T

D

E

E

E

A

E

E

V

V

V

I

A

R

R

R

A

A

N

N

D

A

T

T

E

E

F

Y

G

G

L

L

S

A

A

A

G

G

V

V

F

V

T

T

K

P

D

D

F

L

T

N

R

R

A

A

H

H

R

R

V

I

I

I

G

H

N

Q

L

L

E

E

A

A

G

G

S

I

C

C

F

W

I

I

N

N

S

S

Y

W

N

G

D

E

A

S

P

P

V

A

E

E

A

M

P

P

F

V

G

G

G

G

V

Y

K

K

A

H

S

S

G

G

V

I

G

G

R

R

E

E

N

N

S

G

K

V

E

M

A

T

I

L

K

Q

H

S

F

Y

S

T

Q

Q

V

V

K

K

S

S

V

I

Y

Q

V

V

R

E

M

M

G

G

D

P

V

F

E

Q

A

S

A

I

F

F

binding cytidine-5'-monophosphate: W150 (= W153), G227 (= G229), G228 (≠ S230), H331 (≠ Q332), N334 (≠ I335), E385 (= E382), F387 (= F384)

8vqwC Crystal structure of betaine aldehyde dehydrogenase (betb) from klebsiella aerogenes (coa bound)
55% identity, 98% coverage: 12:485/485 of query aligns to 8:488/488 of 8vqwC

query
sites
8vqwC

F

Y

I

I

N

H

G

G

E

K

Y

F

V

V

E

A

D

A

T

T

A

S

G

G

T

K

P

T

I

F

P

E

V

T

I

I

Y

N

A

P

A

A

T

T

G

G

E

E

Q

V

I

L

A

A

T

T

V

V

H

Q

A

A

A

A

T

G

P

R

A

E

I

D

V

V

E

D

Q

R

A

A

L

V

S

K

T

S

A

A

K

Q

A

Q

A

G

Q

Q

K

K

A

V

W

W

A

A

R

A

M

M

T

S

G

A

T

M

E

A

R

R

G

S

R

R

I

I

L

L

R

R

R

K

A

A

A

V

D

D

I

I

M

L

R

R

E

E

R

R

N

N

H

D

D

E

L

L

S

A

V

R

L

L

E

E

T

T

Y

L

D

D

T

T

G

G

K

K

P

P

L

L

Q

S

E

E

T

T

L

A

V

A

A

V

D

D

A

I

T

V

S

T

G

G

A

A

D

D

A

V

L

L

E

E

Y

Y

F

Y

G

A

G

G

L

L

A

I

A

P

S

A

L

L

T

E

G

G

E

S

H

Q

I

I

P

P

L

L

G

R

E

D

D

S

-

S

W

F

V

V

Y

Y

T

T

K

R

R

R

E

E

A

P

L

L

G

G

L

V

C

V

V

A

G

G

I
|
I

G

G

A

A

W
|
W

N

N

Y

Y

P

P

T

I

Q

Q

I

I

A

A

C

L

W

W

K

K

G

S

A

A

P

P

A

A

L

L

A

A

C

A

G

G

N

N

S

A

M

M

V

I

F

F

K
|
K

P

P

S
|
S

E
|
E

T

V

T

T

P

P

L

L

C

T

A

A

L

L

K

K

V

L

A

A

E

E

I

I

L

Y

I

R

E

E

A

A

G

G

A

L

P

P

A

D

G

G

V

V

F

F

N

N

V

V

V

L

Q

P

G

G

M

I

G
|
G

-

A

E

E

V

T

G
|
G

G

Q

A

Y

L

L

V

T

T

E

D

H

P

P

R

D

V

I

D

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

K

K

K

K

V

V

Y

M

A

A

-

N

A

S

A

A

A

A

E

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

I

I

F

A

D

E

D

D

A

A

D

N

I

L

D

D

N

L

A

A

V

A

G

D

G

I

A

A

I

M

N

M

G

A

N

N

F

F

Y

Y

S

S

S

S

G

G

Q

Q

V

V

C

C

S

T

N

N

G

G

T

T

R

R

V

V

F

F

V

V

Q

P

K

A

G

K

I

F

K

K

E

A

K

E

F

F

L

E

A

H

R

K

L

I

A

L

E

E

R

R

T

V

G

G

N

R

A

I

I

R

L

A

G

G

D

D

P

L

M

F

D

A

E

D

A

D

T

T

S

N

F

F

G

G

P

P

M

L

V

V

T

S

E

F

N

P

Q
x
H

M

R

N

Q

I

N

V

V

L

L

G

R

Y

Y

I

I

E

E

K

S

G

G

K

K

E

S

E

E

G

G

A

A

R

R

L

L

I

L

C

C

G

G

G

G

R

D

R

V

A

L

D

K

M

G

D

E

G

G

Y

F

-

D

-

N

-

G

-

A

F

W

I

V

E

A

P

P

T

T

V

V

F

F

A

T

D

D

V

C

T

T

D

D

D

D

M

M

T

T

I

I

A

V

R

R

E

E

E

E

I

I

F
|
F

G

G

P

P

V

V

M

M

S

S

V

I

L

L

D

S

F

Y

D

D

T

D

E

E

E

A

E

E

V

V

V

I

A

R

R

R

A

A

N

N

D

A

T

T

E

E

F

Y

G

G

L

L

S

A

A

A

G

G

V

V

F

V

T

T

K

P

D

D

F

L

T

N

R

R

A

A

H

H

R

R

V

I

I

I

G

H

N

Q

L

L

E

E

A

A

G

G

S

I

C

C

F

W

I

I

N

N

S

S

Y

W

N

G

D

E

A

S

P

P

V

A

E

E

A

M

P

P

F

V

G

G

G

G

V

Y

K

K

A

H

S

S

G

G

V

I

G

G

R

R

E

E

N

N

S

G

K

V

E

M

A

T

I

L

K

Q

H

S

F

Y

S

T

Q

Q

V

V

K

K

S

S

V

I

Y

Q

V

V

R

E

M

M

G

G

D

P

V

F

E

Q

A

S

A

I

F

F

binding coenzyme a: I147 (= I150), W150 (= W153), K174 (= K177), S176 (= S179), E177 (= E180), G207 (= G210), G211 (= G213), F225 (≠ L227), G227 (= G229), G228 (≠ S230), S231 (≠ T233), H331 (≠ Q332), F387 (= F384)

8vj3A Crystal structure of betaine aldehyde dehydrogenase (betb) from klebsiella aerogenes (fad bound)
55% identity, 98% coverage: 12:485/485 of query aligns to 8:488/488 of 8vj3A

query
sites
8vj3A

F

Y

I

I

N

H

G

G

E

K

Y

F

V

V

E

A

D

A

T

T

A

S

G

G

T

K

P

T

I

F

P

E

V

T

I

I

Y

N

A

P

A

A

T

T

G

G

E

E

Q

V

I

L

A

A

T

T

V

V

H

Q

A

A

A

A

T

G

P

R

A

E

I

D

V

V

E

D

Q

R

A

A

L

V

S

K

T

S

A

A

K

Q

A

Q

A

G

Q

Q

K

K

A

V

W

W

A

A

R

A

M

M

T

S

G

A

T

M

E

A

R

R

G

S

R

R

I

I

L

L

R

R

R

K

A

A

A

V

D

D

I

I

M

L

R

R

E

E

R

R

N

N

H

D

D

E

L

L

S

A

V

R

L

L

E

E

T

T

Y

L

D

D

T

T

G

G

K

K

P

P

L

L

Q

S

E

E

T

T

L

A

V

A

A

V

D

D

A

I

T

V

S

T

G

G

A

A

D

D

A

V

L

L

E

E

Y

Y

F

Y

G

A

G

G

L

L

A

I

A

P

S

A

L

L

T

E

G

G

E

S

H

Q

I

I

P

P

L

L

G

R

E

D

D

S

-

S

W

F

V

V

Y

Y

T

T

K

R

R

R

E

E

A

P

L

L

G

G

L

V

C

V

V

A

G

G

I
|
I

G
|
G

A

A

W
|
W

N

N

Y

Y

P

P

T

I

Q

Q

I

I

A

A

C

L

W

W

K

K

G

S

A

A

P

P

A

A

L

L

A

A

C

A

G

G

N

N

S

A

M

M