SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing GFF4092 HP15_4032 betaine aldehyde dehydrogenase 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)

4npiA 1.94 angstroms x-ray crystal structure of NAD- and intermediate- bound alpha-aminomuconate-epsilon-semialdehyde dehydrogenase from pseudomonas fluorescens (see paper)
62% identity, 99% coverage: 6:486/486 of query aligns to 5:483/483 of 4npiA

query
sites
4npiA

H

N

Y

Y

I

I

N

D

G

G

Q

N

Y

F

V

V

G

T

S

S

A

A

S

S

G

S

R

-

L

-

F

F

D

A

N

N

V

I

N

N

P

P

A

V

N

N

G

G

K

K

V

L

I

I

S

S

K

D

V

V

H

F

E

E

A

A

G

D

R

A

E

K

E

Q

V

V

D

N

A

E

A

A

V

V

K

V

A

A

A

A

R

Q

A

N

A

A

L

L

R

K

G

G

P

P

W

W

G

G

K

K

M

L

T

S

L

V

E

Q

Q

D

R

R

T

A

A

A

I

L

L

I

H

H

K

K

V

I

A

A

D

D

G

G

I

I

N

Q

A

A

R

R

F

F

D

E

E

E

F

F

L

V

E

A

A

A

E

E

C

V

L

A

D

D

T

T

G

G

K

R

P

P

K

V

S

H

L

Q

A

A

S

R

H

T

I

L

D

D

I

I

P

P

R
|
R

G

A

A

I

A

A

N

N

F

F

K

R

V

T

F

F

A

A

D

D

M

L

I

A

K

K

N

T

V

S

P

H

T

T

E

D

S

L

F

F

E

E

M

M

P

S

T

T

P

S

D

D

G

G

T

S

G

G

A

A

L

L

N

N

Y

Y

A

T

V

V

R

R

R

K

P

P

K

L

G

G

V

V

I

I

G

G

V

V

I
|
I

S
|
S

P
|
P

W
|
W

N
|
N

L

L

P

P

L

L

L

L

L
|
L

M

F

T

T

W
|
W

K

K

V

V

G

A

P

P

A

A

L

L

A

A

C

C

G

G

N

N

T

T

V

V

V

V

V

A

K
|
K

P

P

S

S

E
|
E

E

E

T

S

P

P

T

S

T

S

T

A

A

T

L

L

L

L

G

A

E

E

V

V

M

M

K

H

E

D

A

A

G

G

V

V

P

P

D

P

G

G

V

V

Y

F

N

N

V

L

V

I

H

H

G

G

F

F

G
|
G

G

K

D

D

S

S

A

A

G
|
G

A
x
E

Y

F

L

L

T

T

E

Q

H

H

P

P

Q

G

V

I

D

S

G

A

F

L

T

T

F
|
F

T

T

G
|
G

E
|
E

T

S

G

K

T
|
T

G

G

E

S

V

T

I

I

M

M

K

K

A

A

A

V

A

A

K

D

G

G

I

V

R

K

D

E

I

V

S

S

L

F

E
|
E

L

L

G
|
G

G

G

K

K

N

N

A

A

G

A

L

V

V

V

F

F

A

A

D

D

C

A

D

D

M

L

E

D

K

A

A

A

I

I

E

E

G

G

T

V

M

L

R

R

S

S

A

S

F

F

A

T

N

N

C

S

G

G

Q

Q

V

V

C
|
C

L

L

G

C

T

S

E

E

R

R

V

V

Y

Y

V

V

E

H

R

R

S

S

I

I

F

F

D

D

E

E

F

F

V

V

G

S

R

G

L

L

K

K

E

V

A

E

A

A

E

E

G

R

L

L

K

V

I

V

G

G

P

Y

P

P

D

D

D

Q

A

D

D

G

A

V

N

N

L

M

G

G

P

P

L

L

V

I

S

S

L

H

K

G

H

H

R

R

E

D

K
|
K

V

V

L

L

S

S

Y

Y

Y

Y

Q

R

K

L

A

A

V

V

D

D

D

E

G

G

A

A

T

T

V

V

V

V

T

T

G

G

G

G

G

G

V

V

P

P

D

K

M

F

P

N

A

D

E

E

L

R

A

D

G

Q

G

G

A

A

W

Y

V

V

E

Q

P

P

T

T

I

I

W

W

T

T

G

G

L

L

P

S

D

D

D

K

S

A

A

R

V

C

V

V

T

T

D

E

E
|
E

I

I

F
|
F

G

G

P

P

C

V

C

C

H

H

I

I

R

S

P

P

F

F

D

D

T

D

E

E

E

D

E

E

A

V

I

I

E

N

L

R

A

V

N

N

S

D

L

S

P

N

Y

Y

G

G

L

L

A

A

S

C

A

A

I

I

W

W

S

T

E

T

N

N

I

L

T

S

R

R

A

A

H

H

R

R

V

V

A

S

G

R

Q

Q

I

I

E

H

A

V

G

G

I

L

I

V

W

W

V

V

N

N

S

T

W

W

F
x
Y

L

L

R
|
R

D

D

L

L

R

R

T

T

P

P

F
|
F

G

G

G

G

S

V

K

K

Q

L

S

S

G

G

V

L

G

G

R

R

E
|
E

G

G

G

G

V

R

H

F

S

S

L

M

E

D

F

F

Y

Y

T

S

E

D

M

I

K

A

N

N

I

I

C

C

V

I

K

K

L

I

active site: N152 (= N155), K175 (= K178), E251 (= E254), C285 (= C288), E387 (= E390), E464 (= E467)
binding (2Z,4E)-2-hydroxy-6-oxohexa-2,4-dienoic acid: R103 (= R106), L157 (= L160), W160 (= W163), E251 (= E254), C285 (= C288), Y445 (≠ F448), R447 (= R450), F453 (= F456)
binding nicotinamide-adenine-dinucleotide: I148 (= I151), S149 (= S152), P150 (= P153), W151 (= W154), K175 (= K178), E178 (= E181), G208 (= G211), G213 (= G216), E214 (≠ A217), F227 (= F230), G229 (= G232), E230 (= E233), T233 (= T236), G253 (= G256), C285 (= C288), K335 (= K338), E387 (= E390), F389 (= F392)

4i2rA 2.15 angstroms x-ray crystal structure of NAD- and alternative substrate-bound 2-aminomuconate 6-semialdehyde dehydrogenase from pseudomonas fluorescens (see paper)
62% identity, 99% coverage: 6:486/486 of query aligns to 5:483/483 of 4i2rA

query
sites
4i2rA

H

N

Y

Y

I

I

N

D

G

G

Q

N

Y

F

V

V

G

T

S

S

A

A

S

S

G

S

R

-

L

-

F

F

D

A

N

N

V

I

N

N

P

P

A

V

N

N

G

G

K

K

V

L

I

I

S

S

K

D

V

V

H

F

E

E

A

A

G

D

R

A

E

K

E

Q

V

V

D

N

A

E

A

A

V

V

K

V

A

A

A

A

R

Q

A

N

A

A

L

L

R

K

G

G

P

P

W

W

G

G

K

K

M

L

T

S

L

V

E

Q

Q

D

R

R

T

A

A

A

I

L

L

I

H

H

K

K

V

I

A

A

D

D

G

G

I

I

N

Q

A

A

R

R

F

F

D

E

E

E

F

F

L

V

E

A

A

A

E

E

C

V

L

A

D

D

T

T

G

G

K

R

P

P

K

V

S

H

L

Q

A

A

S

R

H

T

I

L

D

D

I

I

P

P

R
|
R

G

A

A

I

A

A

N

N

F

F

K

R

V

T

F

F

A

A

D

D

M

L

I

A

K

K

N

T

V

S

P

H

T

T

E

D

S

L

F

F

E

E

M

M

P

S

T

T

P

S

D

D

G

G

T

S

G

G

A

A

L

L

N

N

Y

Y

A

T

V

V

R

R

R

K

P

P

K

L

G

G

V

V

I

I

G

G

V

V

I
|
I

S
|
S

P

P

W
|
W

N
|
N

L

L

P

P

L

L

L

L

L
|
L

M

F

T

T

W

W

K

K

V

V

G

A

P

P

A

A

L

L

A

A

C

C

G

G

N

N

T

T

V

V

V

V

V

A

K
|
K

P

P

S

S

E
|
E

E

E

T

S

P

P

T

S

T

S

T

A

A

T

L

L

L

L

G

A

E

E

V

V

M

M

K

H

E

D

A

A

G

G

V

V

P

P

D

P

G

G

V

V

Y

F

N

N

V

L

V

I

H

H

G

G

F

F

G
|
G

G

K

D

D

S

S

A

A

G

G

A

E

Y

F

L

L

T

T

E

Q

H

H

P

P

Q

G

V

I

D

S

G

A

F

L

T

T

F
|
F

T
|
T

G
|
G

E
|
E

T

S

G

K

T
|
T

G

G

E

S

V

T

I

I

M

M

K

K

A

A

A

V

A

A

K

D

G

G

I

V

R

K

D

E

I

V

S

S

L

F

E
|
E

L
|
L

G
|
G

G

G

K

K

N

N

A

A

G

A

L

V

V

V

F

F

A

A

D

D

C

A

D

D

M

L

E

D

K

A

A

A

I

I

E

E

G

G

T

V

M

L

R

R

S

S

A

S

F

F

A

T

N

N

C

S

G

G

Q

Q

V

V

C
|
C

L

L

G

C

T

S

E

E

R

R

V

V

Y

Y

V

V

E

H

R

R

S

S

I

I

F

F

D

D

E

E

F

F

V

V

G

S

R

G

L

L

K

K

E

V

A

E

A

A

E

E

G

R

L

L

K

V

I

V

G

G

P

Y

P

P

D

D

D

Q

A

D

D

G

A

V

N

N

L

M

G

G

P

P

L

L

V

I

S

S

L

H

K

G

H

H

R

R

E

D

K

K

V

V

L

L

S

S

Y

Y

Y

Y

Q

R

K

L

A

A

V

V

D

D

D

E

G

G

A

A

T

T

V

V

V

V

T

T

G

G

G

G

G

G

V

V

P

P

D

K

M

F

P

N

A

D

E

E

L

R

A

D

G

Q

G

G

A

A

W

Y

V

V

E

Q

P

P

T

T

I

I

W

W

T

T

G

G

L

L

P

S

D

D

D

K

S

A

A

R

V

C

V

V

T

T

D

E

E
|
E

I

I

F
|
F

G

G

P

P

C

V

C

C

H

H

I

I

R

S

P

P

F

F

D

D

T

D

E

E

E

D

E

E

A

V

I

I

E

N

L

R

A

V

N

N

S

D

L

S

P

N

Y

Y

G

G

L

L

A

A

S

C

A

A

I

I

W

W

S

T

E

T

N

N

I

L

T

S

R

R

A

A

H

H

R

R

V

V

A

S

G

R

Q

Q

I

I

E

H

A

V

G

G

I

L

I

V

W

W

V

V

N

N

S

T

W

W

F
x
Y

L

L

R
|
R

D

D

L

L

R

R

T

T

P

P

F
|
F

G

G

G

G

S

V

K

K

Q

L

S

S

G

G

V

L

G

G

R

R

E
|
E

G

G

G

G

V

R

H

F

S

S

L

M

E

D

F

F

Y

Y

T

S

E

D

M

I

K

A

N

N

I

I

C

C

V

I

K

K

L

I

active site: N152 (= N155), K175 (= K178), E251 (= E254), C285 (= C288), E387 (= E390), E464 (= E467)
binding (2E,4E)-2-hydroxy-6-oxohexa-2,4-dienoic acid: R103 (= R106), L157 (= L160), C285 (= C288), Y445 (≠ F448), R447 (= R450), F453 (= F456)
binding nicotinamide-adenine-dinucleotide: I148 (= I151), S149 (= S152), W151 (= W154), N152 (= N155), K175 (= K178), E178 (= E181), G208 (= G211), F227 (= F230), T228 (= T231), G229 (= G232), E230 (= E233), T233 (= T236), E251 (= E254), L252 (= L255), G253 (= G256), C285 (= C288), E387 (= E390), F389 (= F392)

4i25A 2.00 angstroms x-ray crystal structure of NAD- and substrate-bound 2- aminomuconate 6-semialdehyde dehydrogenase from pseudomonas fluorescens (see paper)
62% identity, 99% coverage: 6:486/486 of query aligns to 5:483/483 of 4i25A

query
sites
4i25A

H

N

Y

Y

I

I

N

D

G

G

Q

N

Y

F

V

V

G

T

S

S

A

A

S

S

G

S

R

-

L

-

F

F

D

A

N

N

V

I

N

N

P

P

A

V

N

N

G

G

K

K

V

L

I

I

S

S

K

D

V

V

H

F

E

E

A

A

G

D

R

A

E

K

E

Q

V

V

D

N

A

E

A

A

V

V

K

V

A

A

A

A

R

Q

A

N

A

A

L

L

R

K

G

G

P

P

W

W

G

G

K

K

M

L

T

S

L

V

E

Q

Q

D

R

R

T

A

A

A

I

L

L

I

H

H

K

K

V

I

A

A

D

D

G

G

I

I

N

Q

A

A

R

R

F

F

D

E

E

E

F

F

L

V

E

A

A

A

E

E

C

V

L

A

D

D

T

T

G

G

K

R

P

P

K

V

S

H

L

Q

A

A

S

R

H

T

I

L

D

D

I

I

P

P

R
|
R

G

A

A

I

A

A

N

N

F

F

K

R

V

T

F

F

A

A

D

D

M

L

I

A

K

K

N

T

V

S

P

H

T

T

E

D

S

L

F

F

E

E

M

M

P

S

T

T

P

S

D

D

G

G

T

S

G

G

A

A

L

L

N

N

Y

Y

A

T

V

V

R

R

R

K

P

P

K

L

G

G

V

V

I

I

G

G

V

V

I
|
I

S
|
S

P
|
P

W
|
W

N
|
N

L

L

P

P

L

L

L

L

L
|
L

M

F

T

T

W

W

K

K

V

V

G

A

P

P

A

A

L

L

A

A

C

C

G

G

N

N

T

T

V

V

V

V

V

A

K
|
K

P

P

S

S

E
|
E

E

E

T

S

P

P

T

S

T

S

T

A

A

T

L

L

L

L

G

A

E

E

V

V

M

M

K

H

E

D

A

A

G

G

V

V

P

P

D

P

G

G

V

V

Y

F

N

N

V

L

V

I

H

H

G

G

F

F

G
|
G

G

K

D

D

S

S

A

A

G
|
G

A

E

Y

F

L

L

T

T

E

Q

H

H

P

P

Q

G

V

I

D

S

G

A

F

L

T

T

F
|
F

T
|
T

G
|
G

E
|
E

T

S

G

K

T
|
T

G

G

E

S

V

T

I

I

M

M

K

K

A

A

A

V

A

A

K

D

G

G

I

V

R

K

D

E

I

V

S

S

L

F

E
|
E

L
|
L

G

G

G

G

K

K

N

N

A

A

G

A

L

V

V

V

F

F

A

A

D

D

C

A

D

D

M

L

E

D

K

A

A

A

I

I

E

E

G

G

T

V

M

L

R

R

S

S

A

S

F

F

A

T

N

N

C

S

G

G

Q

Q

V

V

C
|
C

L

L

G

C

T

S

E

E

R

R

V

V

Y

Y

V

V

E

H

R

R

S

S

I

I

F

F

D

D

E

E

F

F

V

V

G

S

R

G

L

L

K

K

E

V

A

E

A

A

E

E

G

R

L

L

K

V

I

V

G

G

P

Y

P

P

D

D

D

Q

A

D

D

G

A

V

N

N

L

M

G

G

P

P

L

L

V

I

S

S

L

H

K

G

H

H

R

R

E

D

K

K

V

V

L

L

S

S

Y

Y

Y

Y

Q

R

K

L

A

A

V

V

D

D

D

E

G

G

A

A

T

T

V

V

V

V

T

T

G

G

G

G

G

G

V

V

P

P

D

K

M

F

P

N

A

D

E

E

L

R

A

D

G

Q

G

G

A

A

W

Y

V

V

E

Q

P

P

T

T

I

I

W

W

T

T

G

G

L

L

P

S

D

D

D

K

S

A

A

R

V

C

V

V

T

T

D

E

E
|
E

I

I

F
|
F

G

G

P

P

C

V

C

C

H

H

I

I

R

S

P

P

F

F

D

D

T

D

E

E

E

D

E

E

A

V

I

I

E

N

L

R

A

V

N

N

S

D

L

S

P

N

Y

Y

G

G

L

L

A

A

S

C

A

A

I

I

W

W

S

T

E

T

N

N

I

L

T

S

R

R

A

A

H

H

R

R

V

V

A

S

G

R

Q

Q

I

I

E

H

A

V

G

G

I

L

I

V

W

W

V

V

N

N

S

T

W

W

F
x
Y

L

L

R
|
R

D

D

L

L

R

R

T

T

P

P

F
|
F

G

G

G

G

S

V

K

K

Q

L

S

S

G

G

V

L

G

G

R

R

E
|
E

G

G

G

G

V

R

H

F

S

S

L

M

E

D

F

F

Y

Y

T

S

E

D

M

I

K

A

N

N

I

I

C

C

V

I

K

K

L

I

active site: N152 (= N155), K175 (= K178), E251 (= E254), C285 (= C288), E387 (= E390), E464 (= E467)
binding (2E,4E)-2-amino-6-oxohexa-2,4-dienoic acid: R103 (= R106), L157 (= L160), C285 (= C288), Y445 (≠ F448), R447 (= R450), F453 (= F456)
binding nicotinamide-adenine-dinucleotide: I148 (= I151), S149 (= S152), P150 (= P153), W151 (= W154), N152 (= N155), K175 (= K178), E178 (= E181), G208 (= G211), G213 (= G216), F227 (= F230), T228 (= T231), G229 (= G232), E230 (= E233), T233 (= T236), E251 (= E254), L252 (= L255), C285 (= C288), E387 (= E390), F389 (= F392)

5kllA Crystal structure of 2-hydroxymuconate-6-semialdehyde derived tautomeric intermediate in 2-aminomuconate 6-semialdehyde dehydrogenase n169d (see paper)
62% identity, 99% coverage: 6:486/486 of query aligns to 5:483/483 of 5kllA

query
sites
5kllA

H

N

Y

Y

I

I

N

D

G

G

Q

N

Y

F

V

V

G

T

S

S

A

A

S

S

G

S

R

-

L

-

F

F

D

A

N

N

V

I

N

N

P

P

A

V

N

N

G

G

K

K

V

L

I

I

S

S

K

D

V

V

H

F

E

E

A

A

G

D

R

A

E

K

E

Q

V

V

D

N

A

E

A

A

V

V

K

V

A

A

A

A

R

Q

A

N

A

A

L

L

R

K

G

G

P

P

W

W

G

G

K

K

M

L

T

S

L

V

E

Q

Q

D

R

R

T

A

A

A

I

L

L

I

H

H

K

K

V

I

A

A

D

D

G

G

I

I

N

Q

A

A

R

R

F

F

D

E

E

E

F

F

L

V

E

A

A

A

E

E

C

V

L

A

D

D

T

T

G

G

K

R

P

P

K

V

S

H

L

Q

A

A

S

R

H

T

I

L

D

D

I

I

P

P

R
|
R

G

A

A

I

A

A

N

N

F

F

K

R

V

T

F

F

A

A

D

D

M

L

I

A

K

K

N

T

V

S

P

H

T

T

E

D

S

L

F

F

E

E

M

M

P

S

T

T

P

S

D

D

G

G

T

S

G

G

A

A

L

L

N

N

Y

Y

A

T

V

V

R

R

R

K

P

P

K

L

G

G

V

V

I

I

G

G

V

V

I

I

S

S

P

P

W

W

N
x
D

L

L

P

P

L

L

L

L

L
|
L

M

F

T

T

W
|
W

K

K

V

V

G

A

P

P

A

A

L

L

A

A

C

C

G

G

N

N

T

T

V

V

V

V

V

A

K
|
K

P

P

S

S

E

E

E

E

T

S

P

P

T

S

T

S

T

A

A

T

L

L

L

L

G

A

E

E

V

V

M

M

K

H

E

D

A

A

G

G

V

V

P

P

D

P

G

G

V

V

Y

F

N

N

V

L

V

I

H

H

G

G

F

F

G

G

G

K

D

D

S

S

A

A

G

G

A

E

Y

F

L

L

T

T

E

Q

H

H

P

P

Q

G

V

I

D

S

G

A

F

L

T

T

F

F

T

T

G

G

E

E

T

S

G

K

T

T

G

G

E

S

V

T

I

I

M

M

K

K

A

A

A

V

A

A

K

D

G

G

I

V

R

K

D

E

I

V

S

S

L

F

E
|
E

L

L

G

G

G

G

K

K

N

N

A

A

G

A

L

V

V

V

F

F

A

A

D

D

C

A

D

D

M

L

E

D

K

A

A

A

I

I

E

E

G

G

T

V

M

L

R

R

S

S

A

S

F

F

A

T

N

N

C

S

G

G

Q

Q

V

V

C
|
C

L

L

G

C

T

S

E

E

R

R

V

V

Y

Y

V

V

E

H

R

R

S

S

I

I

F

F

D

D

E

E

F

F

V

V

G

S

R

G

L

L

K

K

E

V

A

E

A

A

E

E

G

R

L

L

K

V

I

V

G

G

P

Y

P

P

D

D

D

Q

A

D

D

G

A

V

N

N

L

M

G

G

P

P

L

L

V

I

S

S

L

H

K

G

H

H

R

R

E

D

K

K

V

V

L

L

S

S

Y

Y

Y

Y

Q

R

K

L

A

A

V

V

D

D

D

E

G

G

A

A

T

T

V

V

V

V

T

T

G

G

G

G

G

G

V

V

P

P

D

K

M

F

P

N

A

D

E

E

L

R

A

D

G

Q

G

G

A

A

W

Y

V

V

E

Q

P

P

T

T

I

I

W

W

T

T

G

G

L

L

P

S

D

D

D

K

S

A

A

R

V

C

V

V

T

T

D

E

E
|
E

I

I

F

F

G

G

P

P

C

V

C

C

H

H

I

I

R

S

P

P

F

F

D

D

T

D

E

E

E

D

E

E

A

V

I

I

E

N

L

R

A

V

N

N

S

D

L

S

P

N

Y

Y

G

G

L

L

A

A

S

C

A

A

I

I

W

W

S

T

E

T

N

N

I

L

T

S

R

R

A

A

H

H

R

R

V

V

A

S

G

R

Q

Q

I

I

E

H

A

V

G

G

I

L

I

V

W

W

V

V

N

N

S

T

W

W

F
x
Y

L

L

R
|
R

D

D

L

L

R

R

T

T

P

P

F
|
F

G

G

G

G

S

V

K

K

Q

L

S

S

G

G

V

L

G

G

R

R

E
|
E

G

G

G

G

V

R

H

F

S

S

L

M

E

D

F

F

Y

Y

T

S

E

D

M

I

K

A

N

N

I

I

C

C

V

I

K

K

L

I

active site: D152 (≠ N155), K175 (= K178), E251 (= E254), C285 (= C288), E387 (= E390), E464 (= E467)
binding (3~{E},5~{E})-6-oxidanyl-2-oxidanylidene-hexa-3,5-dienoic acid: R103 (= R106), D152 (≠ N155), L157 (= L160), W160 (= W163), C285 (= C288), Y445 (≠ F448), R447 (= R450), F453 (= F456)

4ou2A A 2.15 angstroms x-ray crystal structure of e268a 2-aminomuconate 6- semialdehyde dehydrogenase catalytic intermediate from pseudomonas fluorescens (see paper)
62% identity, 99% coverage: 6:486/486 of query aligns to 5:483/483 of 4ou2A

query
sites
4ou2A

H

N

Y

Y

I

I

N

D

G

G

Q

N

Y

F

V

V

G

T

S

S

A

A

S

S

G

S

R

-

L

-

F

F

D

A

N

N

V

I

N

N

P

P

A

V

N

N

G

G

K

K

V

L

I

I

S

S

K

D

V

V

H

F

E

E

A

A

G

D

R

A

E

K

E

Q

V

V

D

N

A

E

A

A

V

V

K

V

A

A

A

A

R

Q

A

N

A

A

L

L

R

K

G

G

P

P

W

W

G

G

K

K

M

L

T

S

L

V

E

Q

Q

D

R

R

T

A

A

A

I

L

L

I

H

H

K

K

V

I

A

A

D

D

G

G

I

I

N

Q

A

A

R

R

F

F

D

E

E

E

F

F

L

V

E

A

A

A

E

E

C

V

L

A

D

D

T

T

G

G

K

R

P

P

K

V

S

H

L

Q

A

A

S

R

H

T

I

L

D

D

I

I

P

P

R
|
R

G

A

A

I

A

A

N

N

F

F

K

R

V

T

F

F

A

A

D

D

M

L

I

A

K

K

N

T

V

S

P

H

T

T

E

D

S

L

F

F

E

E

M

M

P

S

T

T

P

S

D

D

G

G

T

S

G

G

A

A

L

L

N

N

Y

Y

A

T

V

V

R

R

R

K

P

P

K

L

G

G

V

V

I

I

G

G

V

V

I
|
I

S
|
S

P
|
P

W
|
W

N
|
N

L

L

P

P

L

L

L

L

L
|
L

M

F

T

T

W

W

K

K

V

V

G

A

P

P

A

A

L

L

A

A

C

C

G

G

N

N

T

T

V

V

V

V

V

A

K
|
K

P

P

S

S

E

E

E

E

T

S

P

P

T

S

T

S

T

A

A

T

L

L

L

L

G

A

E

E

V

V

M

M

K

H

E

D

A

A

G

G

V

V

P

P

D

P

G

G

V

V

Y

F

N

N

V

L

V

I

H

H

G

G

F

F

G
|
G

G

K

D

D

S

S

A

A

G
|
G

A
x
E

Y

F

L

L

T

T

E

Q

H

H

P

P

Q

G

V

I

D

S

G

A

F

L

T

T

F
|
F

T
|
T

G
|
G

E
|
E

T

S

G

K

T
|
T

G

G

E

S

V

T

I

I

M

M

K

K

A

A

A

V

A

A

K

D

G

G

I

V

R

K

D

E

I

V

S

S

L

F

E
x
A

L
|
L

G
|
G

G

G

K

K

N

N

A

A

G

A

L

V

V

V

F

F

A

A

D

D

C

A

D

D

M

L

E

D

K

A

A

A

I

I

E

E

G

G

T

V

M

L

R

R

S

S

A

S

F

F

A

T

N

N

C

S

G

G

Q

Q

V

V

C
|
C

L

L

G

C

T

S

E

E

R

R

V

V

Y

Y

V

V

E

H

R

R

S

S

I

I

F

F

D

D

E

E

F

F

V

V

G

S

R

G

L

L

K

K

E

V

A

E

A

A

E

E

G

R

L

L

K

V

I

V

G

G

P

Y

P

P

D

D

D

Q

A

D

D

G

A

V

N

N

L

M

G

G

P

P

L

L

V

I

S

S

L

H

K

G

H

H

R

R

E

D

K

K

V

V

L

L

S

S

Y

Y

Y

Y

Q

R

K

L

A

A

V

V

D

D

D

E

G

G

A

A

T

T

V

V

V

V

T

T

G

G

G

G

G

G

V

V

P

P

D

K

M

F

P

N

A

D

E

E

L

R

A

D

G

Q

G

G

A

A

W

Y

V

V

E

Q

P

P

T

T

I

I

W

W

T

T

G

G

L

L

P

S

D

D

D

K

S

A

A

R

V

C

V

V

T

T

D

E

E
|
E

I

I

F
|
F

G

G

P

P

C

V

C

C

H

H

I

I

R

S

P

P

F

F

D

D

T

D

E

E

E

D

E

E

A

V

I

I

E

N

L

R

A

V

N

N

S

D

L

S

P

N

Y

Y

G

G

L

L

A

A

S

C

A

A

I

I

W

W

S

T

E

T

N

N

I

L

T

S

R

R

A

A

H

H

R

R

V

V

A

S

G

R

Q

Q

I

I

E

H

A

V

G

G

I

L

I

V

W

W

V

V

N

N

S

T

W

W

F
x
Y

L

L

R
|
R

D

D

L

L

R

R

T

T

P

P

F
|
F

G

G

G

G

S

V

K

K

Q

L

S

S

G

G

V

L

G

G

R

R

E
|
E

G

G

G

G

V

R

H

F

S

S

L

M

E

D

F

F

Y

Y

T

S

E

D

M

I

K

A

N

N

I

I

C

C

V

I

K

K

L

I

active site: N152 (= N155), K175 (= K178), A251 (≠ E254), C285 (= C288), E387 (= E390), E464 (= E467)
binding (2Z,4E)-2,6-dihydroxyhexa-2,4-dienoic acid: R103 (= R106), L157 (= L160), C285 (= C288), Y445 (≠ F448), R447 (= R450), F453 (= F456)
binding nicotinamide-adenine-dinucleotide: I148 (= I151), S149 (= S152), P150 (= P153), W151 (= W154), N152 (= N155), K175 (= K178), G208 (= G211), G213 (= G216), E214 (≠ A217), F227 (= F230), T228 (= T231), G229 (= G232), E230 (= E233), T233 (= T236), A251 (≠ E254), L252 (= L255), G253 (= G256), C285 (= C288), E387 (= E390), F389 (= F392)

5kj5B Crystal structure of 2-aminomuconate 6-semialdehyde dehydrogenase n169d in complex with NAD+ (see paper)
62% identity, 99% coverage: 6:486/486 of query aligns to 6:484/484 of 5kj5B

query
sites
5kj5B

H

N

Y

Y

I

I

N

D

G

G

Q

N

Y

F

V

V

G

T

S

S

A

A

S

S

G

S

R

-

L

-

F

F

D

A

N

N

V

I

N

N

P

P

A

V

N

N

G

G

K

K

V

L

I

I

S

S

K

D

V

V

H

F

E

E

A

A

G

D

R

A

E

K

E

Q

V

V

D

N

A

E

A

A

V

V

K

V

A

A

A

A

R

Q

A

N

A

A

L

L

R

K

G

G

P

P

W

W

G

G

K

K

M

L

T

S

L

V

E

Q

Q

D

R

R

T

A

A

A

I

L

L

I

H

H

K

K

V

I

A

A

D

D

G

G

I

I

N

Q

A

A

R

R

F

F

D

E

E

E

F

F

L

V

E

A

A

A

E

E

C

V

L

A

D

D

T

T

G

G

K

R

P

P

K

V

S

H

L

Q

A

A

S

R

H

T

I

L

D

D

I

I

P

P

R

R

G

A

A

I

A

A

N

N

F

F

K

R

V

T

F

F

A

A

D

D

M

L

I

A

K

K

N

T

V

S

P

H

T

T

E

D

S

L

F

F

E

E

M

M

P

S

T

T

P

S

D

D

G

G

T

S

G

G

A

A

L

L

N

N

Y

Y

A

T

V

V

R

R

R

K

P

P

K

L

G

G

V

V

I

I

G

G

V

V

I
|
I

S
|
S

P
|
P

W
|
W

N
x
D

L

L

P

P

L

L

L

L

L
|
L

M

F

T

T

W

W

K

K

V

V

G

A

P

P

A

A

L

L

A

A

C

C

G

G

N

N

T

T

V

V

V

V

V

A

K
|
K

P

P

S

S

E

E

E

E

T

S

P

P

T

S

T

S

T

A

A

T

L

L

L

L

G

A

E

E

V

V

M

M

K

H

E

D

A

A

G

G

V

V

P

P

D

P

G

G

V

V

Y

F

N

N

V

L

V

I

H

H

G

G

F

F

G
|
G

G
x
K

D

D

S

S

A

A

G
|
G

A

E

Y

F

L

L

T

T

E

Q

H

H

P

P

Q

G

V

I

D

S

G

A

F

L

T

T

F
|
F

T
|
T

G
|
G

E
|
E

T

S

G

K

T
|
T

G

G

E

S

V

T

I

I

M

M

K

K

A

A

A

V

A

A

K

D

G

G

I

V

R

K

D

E

I

V

S

S

L

F

E
|
E

L
|
L

G

G

G

G

K

K

N

N

A

A

G

A

L

V

V

V

F

F

A

A

D

D

C

A

D

D

M

L

E

D

K

A

A

A

I

I

E

E

G

G

T

V

M

L

R

R

S

S

A

S

F

F

A

T

N

N

C

S

G

G

Q

Q

V

V

C
|
C

L

L

G

C

T

S

E

E

R

R

V

V

Y

Y

V

V

E

H

R

R

S

S

I

I

F

F

D

D

E

E

F

F

V

V

G

S

R

G

L

L

K

K

E

V

A

E

A

A

E

E

G

R

L

L

K

V

I

V

G

G

P

Y

P

P

D

D

D

Q

A

D

D

G

A

V

N

N

L

M

G

G

P

P

L

L

V

I

S

S

L

H

K

G

H

H

R

R

E

D

K

K

V

V

L

L

S

S

Y

Y

Y

Y

Q

R

K

L

A

A

V

V

D

D

D

E

G

G

A

A

T

T

V

V

V

V

T

T

G

G

G

G

G

G

V

V

P

P

D

K

M

F

P

N

A

D

E

E

L

R

A

D

G

Q

G

G

A

A

W

Y

V

V

E

Q

P

P

T

T

I

I

W

W

T

T

G

G

L

L

P

S

D

D

D

K

S

A

A

R

V

C

V

V

T

T

D

E

E
|
E

I

I

F
|
F

G

G

P

P

C

V

C

C

H

H

I

I

R

S

P

P

F

F

D

D

T

D

E

E

E

D

E

E

A

V

I

I

E

N

L

R

A

V

N

N

S

D

L

S

P

N

Y

Y

G

G

L

L

A

A

S

C

A

A

I

I

W

W

S

T

E

T

N

N

I

L

T

S

R

R

A

A

H

H

R

R

V

V

A

S

G

R

Q

Q

I

I

E

H

A

V

G

G

I

L

I

V

W

W

V

V

N

N

S

T

W

W

F

Y

L

L

R

R

D

D

L

L

R

R

T

T

P

P

F
|
F

G

G

G

G

S

V

K

K

Q

L

S

S

G

G

V

L

G

G

R

R

E
|
E

G

G

G

G

V

R

H

F

S

S

L

M

E

D

F

F

Y

Y

T

S

E

D

M

I

K

A

N

N

I

I

C

C

V

I

K

K

L

I

active site: D153 (≠ N155), K176 (= K178), E252 (= E254), C286 (= C288), E388 (= E390), E465 (= E467)
binding nicotinamide-adenine-dinucleotide: I149 (= I151), S150 (= S152), P151 (= P153), W152 (= W154), D153 (≠ N155), L158 (= L160), K176 (= K178), G209 (= G211), K210 (≠ G212), G214 (= G216), F228 (= F230), T229 (= T231), G230 (= G232), E231 (= E233), T234 (= T236), E252 (= E254), L253 (= L255), C286 (= C288), E388 (= E390), F390 (= F392), F454 (= F456)

4u3wA X-ray crystal structure of 2-aminomuconate 6-semialdehyde dehydrogenase from burkholderia cenocepacia
57% identity, 99% coverage: 4:486/486 of query aligns to 4:484/485 of 4u3wA

query
sites
4u3wA

I

L

K

R

H

H

Y

Y

I

I

N

N

G

G

Q

E

Y

F

V

V

G

-

S

-

A

A

S

S

G

G

R

T

L

T

F

F

D

P

N

N

V

L

N

S

P

P

A

V

N

D

G

G

K

R

V

K

I

L

S

A

K

D

V

V

H

C

E

E

A

A

G

D

R

A

E

A

E

L

V

V

D

D

A

S

A

A

V

V

K

Q

A

A

A

A

R

H

A

A

A

A

L

Q

R

K

G

A

P

G

W

W

G

R

K

D

M

T

T

T

L

P

E

A

Q

Q

R

R

T

A

A

A

I

W

L

L

H

H

K

K

V

I

A

A

D

D

G

G

I

I

N

E

A

A

R

R

F

F

D

D

E

E

F

F

L

V

E

A

A

A

E

E

C

V

L

A

D

D

T

T

G

G

K

R

P

P

K

V

S

A

L

Q

A

A

S

R

H

T

I

L

D

D

I

I

P

A

R

R

G

G

A

I

A

A

N

N

F

F

K

R

V

T

F

F

A

A

D

D

M

L

I

V

K

R

N

T

V

A

P

S

T

G

E

E

S

Y

F

F

E

E

M

T

P

H

T

A

P

A

D

D

G

G

T

S

G

E

A

L

L

I

N

N

Y

Y

A

V

V

T

R

R

R

K

P

P

K

L

G

G

V

V

I

I

G

G

V

I

I

I

S

S

P

P

W

W

N
|
N

L

L

P

P

L

L

L

L

L

L

M

F

T

T

W

W

K

K

V

V

G

A

P

P

A

A

L

L

A

A

C

M

G

G

N

N

T

C

V

V

V

V

V

A

K
|
K

P

P

S

S

E

E

E

E

T

T

P

P

T

S

T

S

T

A

A

T

L

L

L

L

G

A

E

E

V

V

M

M

K

H

E

D

A

V

G

G

V

L

P

P

D

P

G

G

V

V

Y

F

N

N

V

L

V

I

H

H

G

G

F

H

G

G

G

Q

D

N

S

A

A

A

G

G

A

E

Y

F

L

L

T

T

E

R

H

H

P

P

Q

D

V

I

D

S

G

A

F

I

T

T

F

F

T

T

G

G

E

E

T

S

G

R

T

T

G

G

E

S

V

T

I

I

M

M

K

K

A

A

A

V

A

A

K

D

G

G

I

V

R

K

D

E

I

V

S

S

L

F

E
|
E

L

L

G

G

G

G

K

K

N

N

A

A

G

A

L

V

V

V

F

F

A

A

D

D

C

A

D

D

M

F

E

D

K

A

A

A

I

V

E

A

G

G

T

V

M

L

R

R

S

S

A

S

F

F

A

T

N

N

C

A

G

G

Q

Q

V

V

C
|
C

L

L

G

C

T

S

E

E

R

R

V

V

Y

Y

V

V

E

E

R

R

S

P

I

I

F

F

D

E

E

R

F

F

V

V

G

A

R

A

L

L

K

K

E

E

A

Q

A

A

E

Q

G

A

L

L

K

R

I

V

G

G

P

A

P

P

D

E

D

D

A

P

D

A

A

T

N

T

L

M

G

G

P

P

L

L

V

I

S

S

L

R

K

G

H

H

R

R

E

D

K

K

V

V

L

L

S

S

Y

Y

Y

F

Q

R

K

L

A

A

V

V

D

E

D

E

G

G

A

A

T

T

V

V

V

V

T

T

G

G

G

G

G

G

V

A

P

P

D

S

M

F

P

G

A

D

E

A

L

R

A

D

G

D

G

G

A

A

W

F

V

V

E

M

P

P

T

T

I

I

W

W

T

T

G

G

L

L

P

P

D

D

D

S

S

A

A

R

V

C

V

V

T

R

D

E

E
|
E

I

I

F

F

G

G

P

P

C

V

C

C

H

H

I

I

R

A

P

P

F

F

D

D

T

D

E

E

E

A

E

E

A

V

I

V

E

K

L

R

A

V

N

N

S

D

L

S

P

A

Y

Y

G

G

L

L

A

A

S

A

A

S

I

I

W

W

S

T

E

T

N

Q

I

L

T

A

R

R

A

G

H

H

R

R

V

V

A

A

G

K

Q

Q

I

I

E

E

A

T

G

G

I

I

I

V

W

W

V

V

N

N

S

A

W

W

F

F

L

V

R

R

D

D

L

L

R

R

T

T

P

P

F

F

G

G

G

G

S

T

K

K

Q

L

S

S

G

G

V

L

G

G

R

R

E
|
E

G

G

G

G

V

R

H

H

S

S

L

L

E
x
D

F

F

Y

Y

T
x
S

E

E

M

L

K

T

N

N

I

V

C

C

V

V

K

R

L

I

active site: N153 (= N155), K176 (= K178), E252 (= E254), C286 (= C288), E388 (= E390), E465 (= E467)
binding magnesium ion: D472 (≠ E474), S475 (≠ T477)

Q9H2A2 2-aminomuconic semialdehyde dehydrogenase; Aldehyde dehydrogenase 12; Aldehyde dehydrogenase family 8 member A1; EC 1.2.1.32 from Homo sapiens (Human) (see paper)
43% identity, 99% coverage: 4:485/486 of query aligns to 10:486/487 of Q9H2A2

query
sites
Q9H2A2

I

L

K

E

H

N

Y

F

I

I

N

D

G

G

Q

K

Y

F

V

L

G

P

S

C

A

S

S

S

G

-

R

-

L

Y

F

I

D

D

N

S

V

Y

N

D

P

P

A

S

N

T

G

G

K

E

V

V

I

Y

S

C

K

R

V

V

H

P

E

N

A

S

G

G

R

K

E

D

E

E

V

I

D

E

A

A

A

A

V

V

K

K

A

A

A

A

R

R

A

E

A

A

L

F

R

P

G

S

P

-

W

W

G

S

K

S

M

R

T

S

L

P

E

Q

Q

E

R

R

T

S

A

R

I

V

L

L

H

N

K

Q

V

V

A

A

D

D

G

L

I

L

N

E

A

Q

R

S

F

L

D

E

E

E

F

F

L

A

E

Q

A

A

E

E

C

S

L

K

D

D

T

Q

G

G

K

K

P

T

K

L

S

A

L

L

A

A

S

R

H

T

I

M

D

D

I

I

P

P

R
|
R

G

S

A

V

A

Q

N

N

F

F

K

R

V

F

F

F

A

A

D

S

M

S

I

S

K

L

N

H

V

H

P

T

T

S

E

E

S

C

F

T

E

Q

M

M

P

-

T

-

P

-

D

D

G

H

T

L

G

G

A

C

L

M

N

H

Y

Y

A

T

V

V

R

R

R

A

P

P

K

V

G

G

V

V

I

A

G

G

V

L

I

I

S

S

P

P

W

W

N
|
N

L

L

P

P

L

L

L

Y

L

L

M

L

T

T

W

W

K

K

V

I

G

A

P

P

A

A

L

M

A

A

C

A

G

G

N

N

T

T

V

V

V

I

V

A

K

K

P

P

S

S

E

E

E

L

T

T

P

S

T

V

T

T

T

A

A

W

L

M

L

L

G

C

E

K

V

L

M

L

K

D

E

K

A

A

G

G

V

V

P

P

D

P

G

G

V

V

Y

V

N

N

V

I

V

V

H

F

G

G

F

-

G

T

G

G

D

P

S

R

A

V

G

G

A

E

Y

A

L

L

T

V

E

S

H

H

P

P

Q

E

V

V

D

P

G

L

F

I

T

S

F

F

T

T

G

G

E

S

T

Q

G

P

T

T

G

A

E

E

V

R

I

I

M

T

K

Q

A

L

A

S

A

A

K

P

G

H

I

C

R

K

D

K

I

L

S

S

L

L

E

E

L

L

G

G

G

G

K

K

N

N

A

P

G

A

L

I

V

I

F

F

A

E

D

D

C

A

D

N

M

L

E

D

K

E

A

C

I

I

E

P

G

A

T

T

M

V

R

R

S

S

A

S

F

F

A

A

N

N

C

Q

G

G

Q

E

V

I

C

C

L

L

G

C

T

T

E

S

R

R

V

I

Y

F

V

V

E

Q

R

K

S

S

I

I

F

Y

D

S

E

E

F

F

V

L

G

K

R

R

L

F

K

V

E

E

A

A

A

T

E

R

G

K

L

W

K

K

I

V

G

G

P

I

P

P

D

S

D

D

A

P

D

L

A

V

N

S

L

I

G

G

P

A

L

L

V

I

S

S

L

K

K

A

H

H

R

L

E

E

K

K

V

V

L

R

S

S

Y

Y

Y

V

Q

K

K

R

A

A

V

L

D

A

D

E

G

G

A

A

T

Q

V

I

V

W

T

C

G

G

G

E

G

G

V

V

P

D

-

K

-

L

D

S

M

L

P

P

A

A

E

R

L

N

A

Q

G

A

G

G

A

Y

W

F

V

M

E

L

P

P

T

T

I

V

W

I

T

T

G

D

L

I

P

K

D

D

D

E

S

S

A

C

V

C

V

M

T

T

D

E

E

E

I

I

F

F

G

G

P

P

C

V

C

T

H

C

I

V

R

V

P

P

F

F

D

D

T

S

E

E

E

E

E

E

A

V

I

I

E

E

L

R

A

A

N

N

S

N

L

V

P

K

Y

Y

G

G

L

L

A

A

S

A

A

T

I

V

W

W

S

S

E

S

N

N

I

V

T

G

R

R

A

V

H

H

R

R

V

V

A

A

G

K

Q

K

I

L

E

Q

A

S

G

G

I

L

I

V

W

W

V

T

N

N

S

C

W

W

F

L

L

I

R
|
R

D

E

L

L

R

N

T

L

P

P

F

F

G

G

G

G

S

M

K

K

Q

S

S

S

G

G

V

I

G

G

R

R

E

E

G

G

G

A

V

K

H

D

S

S

L

Y

E

D

F

F

Y

F

T

T

E

E

M

I

K

K

N

T

I

I

C

T

V

V

K

K

R109 (= R106) mutation to A: About 65-fold loss of catalytic efficiency.
N155 (= N155) mutation to A: Complete loss of activity.
R451 (= R450) mutation to A: Complete loss of activity.

5gtlA NADPH complex structure of aldehyde dehydrogenase from bacillus cereus
41% identity, 100% coverage: 2:486/486 of query aligns to 15:490/491 of 5gtlA

query
sites
5gtlA

K

E

D

E

I

I

K

K

H

M

Y

F

I

I

N

N

G

G

Q

E

Y

F

V

V

G

S

S

A

A

I

S

G

G

G

R

K

L

T

F

F

D

E

N

T

V

Y

N

N

P

P

A

A

N

T

G

E

K

D

V

V

I

L

S

A

K

V

V

V

H

C

E

E

A

A

G

Q

R

E

E

E

E

D

V

I

D

D

A

A

A

A

V

V

K

K

A

A

A

A

R

R

A

S

A

A

L

F

R

E

-

S

G

G

P

P

W

W

G

A

K

E

M

M

T

T

L

T

E

A

Q

E

R

R

T

A

A

H

I

L

L

I

H

Y

K

K

V

L

A

A

D

D

G

L

I

I

N

E

A

E

R

H

F

R

D

E

E

E

F

L

L

A

E

Q

A

L

E

E

C

A

L

L

D

D

T

N

G

G

K

K

P

P

K

Y

S

Q

L

V

A

A

S

L

H

D

I

D

D

D

I

I

P

S

R

A

G

T

A

V

A

E

N

N

F

Y

K

R

V

Y

F

Y

A

A

D

G

M

W

I

T

K

T

N

K

V

I

P

I

T

G

E

Q

S

T

F

I

E

-

M

-

P

-

T

-

P

P

D

I

G

S

T

K

G

D

A

Y

L

L

N

N

Y

Y

A

T

V

R

R

H

R

E

P

P

K

V

G

G

V

V

I

V

G

G

V

Q

I
|
I

S

I

P
|
P

W

W

N
|
N

L

F

P

P

L

L

L

V

L

M

M

S

T

S

W

W

K

K

V

M

G

G

P

A

A

A

L

L

A

A

C

T

G

G

N

C

T

T

V

I

V

V

V

L

K
|
K

P

P

S
x
A

E
|
E

E
x
Q

T

T

P

P

T

L

T

S

T

L

A

L

L

Y

L

A

G

A

E

K

V

L

M

F

K

K

E

E

A

A

G

G

V

F

P

P

D

N

G

G

V

V

Y

V

N

N

V

F

V

V

H

P

G

G

F

F

G
|
G

G

P

D

E

S

-

A

A

G
|
G

A

A

Y

A

L

I

T

V

E

N

H

H

P

H

Q

D

V

I

D

D

G

K

F

V

T

A

F

F

T

T

G
|
G

E
x
S

T

T

G

V

T
|
T

G

G

E

K

V

Y

I

I

M

M

K

R

A

Q

A

S

A

A

K

E

G

M

I

I

R

K

D

H

I

V

S

T

L

L

E
|
E

L
|
L

G

G

G

G

K

K

N

S

A

P

G

N

L

I

V

I

F

L

A

E

D

D

C

A

D

D

M

L

E

E

K

E

A

A

I

I

E

N

G

G

T

A

M

F

R

Q

S

G

A

I

F

M

A

Y

N

N

C

H

G

G

Q

Q

V

N

C
|
C

L

S

G

A

T

G

E

S

R

R

V

V

Y

F

V

V

E

H

R

R

S

K

I

H

F

Y

D

E

E

T

F

V

V

V

G

D

R

A

L

L

K

V

E

K

A

M

A

A

E

N

G

N

L

V

K

K

I

L

G

G

P

A

P

G

D

M

D

E

A

K

D

E

A

T

N

E

L

M

G

G

P

P

L

L

V

V

S

S

L

K

K

K

H

Q

R

Q

E

E

K

R

V

V

L

L

S

N

Y

Y

Y

I

Q

E

K

Q

A

G

V

K

D

K

D

E

G

G

A

A

T

T

V

V

V

A

T

A

G

G

G

G

G

-

V

-

P

-

D

-

M

-

P

E

A

R

E

A

L

L

A

E

G

K

G

G

A

Y

W

F

V

V

E

K

P

P

T

T

I

V

W

F

T

T

G

D

L

V

P

T

D

D

D

D

S

M

A

T

V

I

V

V

T

K

D

E

E
|
E

I

I

F
|
F

G

G

P

P

C

V

C

V

H

V

I

V

R

L

P

P

F

F

D

D

T

S

E

T

E

E

E

E

A

V

I

I

E

E

L

R

A

A

N

N

S

N

L

S

P

S

Y

Y

G

G

L

L

A

A

S

A

A

G

I

V

W

W

S

T

E

Q

N

N

I

I

T

K

R

T

A

G

H

H

R

Q

V

V

A

A

G

N

Q

K

I

L

E

K

A

A

G

G

I

T

I

V

W

W

V

I

N

N

S

D

W

Y

F

N

L

L

R

E

D

N

L

A

R

A

T

A

P

P

F

F

G

G

G

G

S

Y

K

K

Q

Q

S

S

G

G

V

I

G

G

R

R

E
|
E

G

L

G

G

V

S

H

Y

S

A

L

L

E

D

F

N

Y

Y

T

T

E

E

M

V

K

K

N

S

I

V

C

W

V

V

K

N

L

I

active site: N165 (= N155), K188 (= K178), E263 (= E254), C297 (= C288), E394 (= E390), E471 (= E467)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: I161 (= I151), P163 (= P153), K188 (= K178), A190 (≠ S180), E191 (= E181), Q192 (≠ E182), G221 (= G211), G225 (= G216), G241 (= G232), S242 (≠ E233), T245 (= T236), L264 (= L255), C297 (= C288), E394 (= E390), F396 (= F392)

5gtkA NAD+ complex structure of aldehyde dehydrogenase from bacillus cereus
41% identity, 100% coverage: 2:486/486 of query aligns to 15:490/491 of 5gtkA

query
sites
5gtkA

K

E

D

E

I

I

K

K

H

M

Y

F

I

I

N

N

G

G

Q

E

Y

F

V

V

G

S

S

A

A

I

S

G

G

G

R

K

L

T

F

F

D

E

N

T

V

Y

N

N

P

P

A

A

N

T

G

E

K

D

V

V

I

L

S

A

K

V

V

V

H

C

E

E

A

A

G

Q

R

E

E

E

E

D

V

I

D

D

A

A

A

A

V

V

K

K

A

A

A

A

R

R

A

S

A

A

L

F

R

E

-

S

G

G

P

P

W

W

G

A

K

E

M

M

T

T

L

T

E

A

Q

E

R

R

T

A

A

H

I

L

L

I

H

Y

K

K

V

L

A

A

D

D

G

L

I

I

N

E

A

E

R

H

F

R

D

E

E

E

F

L

L

A

E

Q

A

L

E

E

C

A

L

L

D

D

T

N

G

G

K

K

P

P

K

Y

S

Q

L

V

A

A

S

L

H

D

I

D

D

D

I

I

P

S

R

A

G

T

A

V

A

E

N

N

F

Y

K

R

V

Y

F

Y

A

A

D

G

M

W

I

T

K

T

N

K

V

I

P

I

T

G

E

Q

S

T

F

I

E

-

M

-

P

-

T

-

P

P

D

I

G

S

T

K

G

D

A

Y

L

L

N

N

Y

Y

A

T

V

R

R

H

R

E

P

P

K

V

G

G

V

V

I

V

G

G

V

Q

I
|
I

S
x
I

P
|
P

W
|
W

N
|
N

L

F

P

P

L

L

L

V

L

M

M

S

T

S

W

W

K

K

V

M

G

G

P

A

A

A

L

L

A

A

C

T

G

G

N

C

T

T

V

I

V

V

V

L

K
|
K

P

P

S

A

E
|
E

E

Q

T

T

P

P

T

L

T

S

T

L

A

L

L

Y

L

A

G

A

E

K

V

L

M

F

K

K

E

E

A

A

G

G

V

F

P

P

D

N

G

G

V

V

Y

V

N

N

V

F

V

V

H

P

G

G

F

F

G
|
G

G

P

D

E

S

-

A

A

G
|
G

A
|
A

Y

A

L

I

T

V

E

N

H

H

P

H

Q

D

V

I

D

D

G

K

F

V

T

A

F
|
F

T

T

G
|
G

E
x
S

T

T

G

V

T
|
T

G

G

E

K

V
x
Y

I

I

M

M

K

R

A

Q

A

S

A

A

K

E

G

M

I

I

R

K

D

H

I

V

S

T

L

L

E
|
E

L
|
L

G

G

G

G

K

K

N

S

A

P

G

N

L

I

V

I

F

L

A

E

D

D

C

A

D

D

M

L

E

E

K

E

A

A

I

I

E

N

G

G

T

A

M

F

R

Q

S

G

A

I

F

M

A

Y

N

N

C

H

G

G

Q

Q

V

N

C
|
C

L

S

G

A

T

G

E

S

R

R

V

V

Y

F

V

V

E

H

R

R

S

K

I

H

F

Y

D

E

E

T

F

V

V

V

G

D

R

A

L

L

K

V

E

K

A

M

A

A

E

N

G

N

L

V

K

K

I

L

G

G

P

A

P

G

D

M

D

E

A

K

D

E

A

T

N

E

L

M

G

G

P

P

L

L

V

V

S

S

L

K

K

K

H
x
Q

R

Q

E

E

K
x
R

V

V

L

L

S

N

Y

Y

Y

I

Q

E

K

Q

A

G

V

K

D

K

D

E

G

G

A

A

T

T

V

V

V

A

T

A

G

G

G

G

G

-

V

-

P

-

D

-

M

-

P

E

A

R

E

A

L

L

A

E

G

K

G

G

A

Y

W

F

V

V

E

K

P

P

T

T

I

V

W

F

T

T

G

D

L

V

P

T

D

D

D

D

S

M

A

T

V

I

V

V

T

K

D

E

E
|
E

I

I

F
|
F

G

G

P

P

C

V

C

V

H

V

I

V

R

L

P

P

F

F

D

D

T

S

E

T

E

E

E

E

A

V

I

I

E

E

L

R

A

A

N

N

S

N

L

S

P

S

Y

Y

G

G

L

L

A

A

S

A

A

G

I

V

W

W

S

T

E

Q

N

N

I

I

T

K

R

T

A

G

H

H

R

Q

V

V

A

A

G

N

Q

K

I

L

E

K

A

A

G

G

I

T

I

V

W

W

V

I

N

N

S

D

W

Y

F

N

L

L

R

E

D

N

L

A

R

A

T

A

P

P

F

F

G

G

G

G

S

Y

K

K

Q

Q

S

S

G

G

V

I

G

G

R

R

E
|
E

G

L

G

G

V

S

H

Y

S

A

L

L

E

D

F

N

Y

Y

T

T

E

E

M

V

K

K

N

S

I

V

C

W

V

V

K

N

L

I

active site: N165 (= N155), K188 (= K178), E263 (= E254), C297 (= C288), E394 (= E390), E471 (= E467)
binding nicotinamide-adenine-dinucleotide: I161 (= I151), I162 (≠ S152), P163 (= P153), W164 (= W154), K188 (= K178), E191 (= E181), G221 (= G211), G225 (= G216), A226 (= A217), F239 (= F230), G241 (= G232), S242 (≠ E233), T245 (= T236), Y248 (≠ V239), L264 (= L255), C297 (= C288), Q344 (≠ H335), R347 (≠ K338), E394 (= E390), F396 (= F392)

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)
40% identity, 100% coverage: 1:486/486 of query aligns to 4:483/490 of Q9HTJ1

query
sites
Q9HTJ1

M

F

K

E

D

E

I

Q

K

K

H

L

Y

Y

I

I

N

G

G

G

Q

R

Y

Y

V

V

G

E

S

A

A

S

S

S

G

G

R

A

L

T

F

F

D

E

N

T

V

I

N

N

P

P

A

A

N

N

G

G

K

E

V

V

I

L

S

A

K

K

V

V

H

Q

E

R

A

A

G

S

R

R

E

E

E

D

V

V

D

E

A

R

A

A

V

V

K

Q

A

S

A

A

R

V

A

E

A

G

L

Q

R

K

G

-

P

V

W

W

G

A

K

A

M

M

T

T

L

A

E

M

Q

Q

R

R

T

S

A

R

I

I

L

L

H

R

K

R

V

A

A

V

D

D

G

I

I

L

N

R

A

E

R

R

F

N

D

D

E

E

F

L

L

A

E

A

A

L

E

E

C

T

L

L

D

D

T

T

G

G

K

K

P

P

K

L

S

A

L

E

A

T

S

R

H

S

I

V

D

D

I

I

P

V

R

T

G

G

A

A

A

D

N

V

F

L

K

E

V

Y

F

Y

A

A

D

G

M

L

I

V

K

P

N

A

V

I

P

E

T

G

E

E

S

Q

F

I

E

-

M

-

P

-

T

-

P

P

D

L

G

R

T

E

G

T

A

S

L

F

N

V

Y

Y

A

T

V

R

R

R

R

E

P

P

K

L

G

G

V

V

I

V

G

A

V

G

I

I

S
x
G

P
x
A

W
|
W

N
|
N

L

Y

P

P

L

V

L

Q

L

I

M

A

T

L

W

W

K
|
K

V

S

G

A

P

P

A

A

L

L

A

A

C

A

G

G

N

N

T

A

V

M

V

I

V

F

K
|
K

P
|
P

S
|
S

E
|
E

E

V

T

T

P

P

T

L

T

T

T

A

A

L

L

K

L

L

G

A

E

E

V

I

M

Y

K

T

E

E

A

A

G

G

V

V

P

P

D

D

G

G

V

V

Y

F

N

N

V

V

V

L

H

T

G

G

F

-

G

S

G
|
G

D

R

S

E

A

V

G

G

A

Q

Y

W

L

L

T

T

E

E

H

H

P

P

Q

L

V

I

D

E

G

K

F

I

T

S

F

F

T

T

G

G

E
x
G

T
|
T

G
x
S

T
|
T

G

G

E

K

V

K

I

V

M

M

-

A

K

S

A

A

A

S

A

S

K

S

G

S

I

L

R

K

D

E

I

V

S

T

L

M

E
|
E

L

L

G

G

G

G

K

K

N

S

A

P

G

L

L

I

V

I

F

F

A

P

D

D

C

A

D

D

M

L

E

D

K

R

A

A

I

A

E

D

G

I

T

A

M

V

R

M

S

A

A

N

F

F

A

F

N

S

C

S

G

G

Q

Q

V

V

C
|
C

L

T

G

N

T

G

E

T

R

R

V

V

Y

F

V

I

E

H

R

R

S

S

I

Q

F

Q

D

A

E

R

F

F

V

E

G

A

R

K

L

V

K

L

E

E

A

R

A

V

E

Q

G

R

L

I

K

R

I

L

G

G

P

D

P

P

D

Q

D

D

A

E

D

N

A

T

N

N

L

F

G

G

P

P

L

L

V

V

S

S

L

F

K

P

H

H

R

M

E

E

K

S

V

V

L

L

S

G

Y

Y

Y

I

Q

E

K

S

A

G

V

K

D

A

D

Q

G

K

A

A

T

R

V

L

V

L

T

C

G

G

G

G

-

E

G

R

V

V

P

T

D

D

M

-

P

-

A

G

E

A

L

F

A

G

G

K

G

G

A

A

W

Y

V

V

E

A

P

P

T

T

I

V

W

F

T

T

G

D

L

C

P

R

D

D

D

D

S

M

A

T

V

I

V

V

T

R

D

E

E
|
E

I

I

F

F

G

G

P

P

C

V

C

M

H

S

I

I

R

L

P

V

F

Y

D

D

T

D

E

E

E

D

E

E

A

A

I

I

E

R

L

R

A

A

N

N

S

D

L

T

P

E

Y

Y

G

G

L

L

A

A

S

A

A

G

I

V

W

V

S

T

E

Q

N

D

I

L

T

A

R

R

A

A

H

H

R

R

V

A

A

I

G

H

Q

R

I

L

E

E

A

A

G

G

I

I

I

C

W

W

V

I

N

N

S

T

W

W

F

G

L

E

R

S

D

P

L

A

R

E

T

M

P

P

F

V

G

G

G

G

S

Y

K

K

Q

Q

S

S

G

G

V

V

G

G

R

R

E
|
E

G

N

G

G

V

L

H

T

S

T

L

L

E

A

F

H

Y

Y

T

T

E

R

M

I

K

K

N

S

I

V

C

Q

V

V

K

E

L

L

GAWN 150:153 (≠ SPWN 152:155) binding
K162 (= K164) active site, Charge relay system
KPSE 176:179 (= KPSE 178:181) binding
G209 (= G212) binding
GTST 230:233 (≠ ETGT 233:236) binding
E252 (= E254) active site, Proton acceptor
C286 (= C288) binding covalent; modified: Cysteine sulfenic acid (-SOH)
E387 (= E390) binding
E464 (= E467) active site, Charge relay system

4cazA Crystal structure of betaine aldehyde dehydrogenase from pseudomonas aeruginosa in complex with nadh
40% identity, 100% coverage: 1:486/486 of query aligns to 3:482/489 of 4cazA

query
sites
4cazA

M

F

K

E

D

E

I

Q

K

K

H

L

Y

Y

I

I

N

G

G

G

Q

R

Y

Y

V

V

G

E

S

A

A

S

S

S

G

G

R

A

L

T

F

F

D

E

N

T

V

I

N

N

P

P

A

A

N

N

G

G

K

E

V

V

I

L

S

A

K

K

V

V

H

Q

E

R

A

A

G

S

R

R

E

E

E

D

V

V

D

E

A

R

A

A

V

V

K

Q

A

S

A

A

R

V

A

E

A

G

L

Q

R

K

G

-

P

V

W

W

G

A

K

A

M

M

T

T

L

A

E

M

Q

Q

R

R

T

S

A

R

I

I

L

L

H

R

K

R

V

A

A

V

D

D

G

I

I

L

N

R

A

E

R

R

F

N

D

D

E

E

F

L

L

A

E

A

A

L

E

E

C

T

L

L

D

D

T

T

G

G

K

K

P

P

K

L

S

A

L

E

A

T

S

R

H

S

I

V

D

D

I

I

P

V

R

T

G

G

A

A

A

D

N

V

F

L

K

E

V

Y

F

Y

A

A

D

G

M

L

I

V

K

P

N

A

V

I

P

E

T

G

E

E

S

Q

F

I

E

-

M

-

P

-

T

-

P

P

D

L

G

R

T

E

G

T

A

S

L

F

N

V

Y

Y

A

T

V

R

R

R

R

E

P

P

K

L

G

G

V

V

I

V

G

A

V

G

I
|
I

S
x
G

P

A

W
|
W

N
|
N

L

Y

P

P

L

V

L

Q

L

I

M

A

T

L

W

W

K

K

V

S

G

A

P

P

A

A

L

L

A

A

C

A

G

G

N

N

T

A

V

M

V

I

V

F

K
|
K

P

P

S

S

E
|
E

E

V

T

T

P

P

T

L

T

T

T

A

A

L

L

K

L

L

G

A

E

E

V

I

M

Y

K

T

E

E

A

A

G

G

V

V

P

P

D

D

G

G

V

V

Y

F

N

N

V

V

V

L

H

T

G

G

F

-

G

S

G
|
G

D

R

S

E

A

V

G
|
G

A

Q

Y

W

L

L

T

T

E

E

H

H

P

P

Q

L

V

I

D

E

G

K

F

I

T

S

F
|
F

T
|
T

G
|
G

E
x
G

T

T

G

S

T
|
T

G

G

E

K

V

K

I
x
V

M

M

-

A

K

S

A

A

A

S

A

S

K

S

G

S

I

L

R

K

D

E

I

V

S

T

L

M

E
|
E

L
|
L

G

G

G

G

K

K

N

S

A

P

G

L

L

I

V

I

F

F

A

P

D

D

C

A

D

D

M

L

E

D

K

R

A

A

I

A

E

D

G

I

T

A

M

V

R

M

S

A

A

N

F

F

A

F

N

S

C

S

G

G

Q

Q

V

V

C
|
C

L

T

G

N

T

G

E

T

R

R

V

V

Y

F

V

I

E

H

R

R

S

S

I

Q

F

Q

D

A

E

R

F

F

V

E

G

A

R

K

L

V

K

L

E

E

A

R

A

V

E

Q

G

R

L

I

K

R

I

L

G

G

P

D

P

P

D

Q

D

D

A

E

D

N

A

T

N

N

L

F

G

G

P

P

L

L

V

V

S

S

L

F

K

P

H

H

R

M

E

E

K

S

V

V

L

L

S

G

Y

Y

Y

I

Q

E

K

S

A

G

V

K

D

A

D

Q

G

K

A

A

T

R

V

L

V

L

T

C

G

G

G

G

-

E

G

R

V

V

P

T

D

D

M

-

P

-

A

G

E

A

L

F

A

G

G

K

G

G

A

A

W

Y

V

V

E

A

P

P

T

T

I

V

W

F

T

T

G

D

L

C

P

R

D

D

D

D

S

M

A

T

V

I

V

V

T

R

D

E

E
|
E

I

I

F
|
F

G

G

P

P

C

V

C

M

H

S

I

I

R

L

P

V

F

Y

D

D

T

D

E

E

E

D

E

E

A

A

I

I

E

R

L

R

A

A

N

N

S

D

L

T

P

E

Y

Y

G

G

L

L

A

A

S

A

A

G

I

V

W

V

S

T

E

Q

N

D

I

L

T

A

R

R

A

A

H

H

R

R

V

A

A

I

G

H

Q

R

I

L

E

E

A

A

G

G

I

I

I

C

W

W

V

I

N

N

S

T

W

W

F

G

L

E

R

S

D

P

L

A

R

E

T

M

P

P

F

V

G

G

G

G

S

Y

K

K

Q

Q

S

S

G

G

V

V

G

G

R

R

E
|
E

G

N

G

G

V

L

H

T

S

T

L

L

E

A

F

H

Y

Y

T

T

E

R

M

I

K

K

N

S

I

V

C

Q

V

V

K

E

L

L

active site: N152 (= N155), K175 (= K178), E251 (= E254), C285 (= C288), E386 (= E390), E463 (= E467)
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 (= I151), G149 (≠ S152), W151 (= W154), N152 (= N155), K175 (= K178), E178 (= E181), G208 (= G212), G212 (= G216), F226 (= F230), T227 (= T231), G228 (= G232), G229 (≠ E233), T232 (= T236), V236 (≠ I240), E251 (= E254), L252 (= L255), C285 (= C288), E386 (= E390), F388 (= F392)

2woxA Betaine aldehyde dehydrogenase from pseudomonas aeruginosa with NAD(p) h-catalytic thiol adduct. (see paper)
40% identity, 100% coverage: 1:486/486 of query aligns to 3:482/489 of 2woxA

query
sites
2woxA

M

F

K

E

D

E

I

Q

K

K

H

L

Y

Y

I

I

N

G

G

G

Q

R

Y

Y

V

V

G

E

S

A

A

S

S

S

G

G

R

A

L

T

F

F

D

E

N

T

V

I

N

N

P

P

A

A

N

N

G

G

K

E

V

V

I

L

S

A

K

K

V

V

H

Q

E

R

A

A

G

S

R

R

E

E

E

D

V

V

D

E

A

R

A

A

V

V

K

Q

A

S

A

A

R

V

A

E

A

G

L

Q

R

K

G

-

P

V

W

W

G

A

K

A

M

M

T

T

L

A

E

M

Q

Q

R

R

T

S

A

R

I

I

L

L

H

R

K

R

V

A

A

V

D

D

G

I

I

L

N

R

A

E

R

R

F

N

D

D

E

E

F

L

L

A

E

A

A

L

E

E

C

T

L

L

D

D

T

T

G

G

K

K

P

P

K

L

S

A

L

E

A

T

S

R

H

S

I

V

D

D

I

I

P

V

R

T

G

G

A

A

A

D

N

V

F

L

K

E

V

Y

F

Y

A

A

D

G

M

L

I

V

K

P

N

A

V

I

P

E

T

G

E

E

S

Q

F

I

E

-

M

-

P

-

T

-

P

P

D

L

G

R

T

E

G

T

A

S

L

F

N

V

Y

Y

A

T

V

R

R

R

R

E

P

P

K

L

G

G

V

V

I

V

G

A

V

G

I
|
I

S
x
G

P

A

W
|
W

N
|
N

L

Y

P

P

L

V

L

Q

L

I

M

A

T

L

W

W

K

K

V

S

G

A

P

P

A

A

L

L

A

A

C

A

G

G

N

N

T

A

V

M

V

I

V

F

K
|
K

P

P

S
|
S

E
|
E

E

V

T

T

P

P

T

L

T

T

T

A

A

L

L

K

L

L

G

A

E

E

V

I

M

Y

K

T

E

E

A

A

G

G

V

V

P

P

D

D

G

G

V

V

Y

F

N

N

V

V

V

L

H

T

G

G

F

-

G

S

G
|
G

D

R

S

E

A

V

G
|
G

A

Q

Y

W

L

L

T

T

E

E

H

H

P

P

Q

L

V

I

D

E

G

K

F

I

T

S

F
|
F

T
|
T

G
|
G

E
x
G

T

T

G

S

T
|
T

G

G

E

K

V

K

I
x
V

M

M

-

A

K

S

A

A

A

S

A

S

K

S

G

S

I

L

R

K

D

E

I

V

S

T

L

M

E
|
E

L
|
L

G

G

G

G

K

K

N

S

A

P

G

L

L

I

V

I

F

F

A

P

D

D

C

A

D

D

M

L

E

D

K

R

A

A

I

A

E

D

G

I

T

A

M

V

R

M

S

A

A

N

F

F

A

F

N

S

C

S

G

G

Q

Q

V

V

C
|
C

L

T

G

N

T

G

E

T

R

R

V

V

Y

F

V

I

E

H

R

R

S

S

I

Q

F

Q

D

A

E

R

F

F

V

E

G

A

R

K

L

V

K

L

E

E

A

R

A

V

E

Q

G

R

L

I

K

R

I

L

G

G

P

D

P

P

D

Q

D

D

A

E

D

N

A

T

N

N

L

F

G

G

P

P

L

L

V

V

S

S

L

F

K

P

H

H

R

M

E

E

K

S

V

V

L

L

S

G

Y

Y

Y

I

Q

E

K

S

A

G

V

K

D

A

D

Q

G

K

A

A

T

R

V

L

V

L

T

C

G

G

G

G

-

E

G

R

V

V

P

T

D

D

M

-

P

-

A

G

E

A

L

F

A

G

G

K

G

G

A

A

W

Y

V

V

E

A

P

P

T

T

I

V

W

F

T

T

G

D

L

C

P

R

D

D

D

D

S

M

A

T

V

I

V

V

T

R

D

E

E
|
E

I

I

F
|
F

G

G

P

P

C

V

C

M

H

S

I

I

R

L

P

V

F

Y

D

D

T

D

E

E

E

D

E

E

A

A

I

I

E

R

L

R

A

A

N

N

S

D

L

T

P

E

Y

Y

G

G

L

L

A

A

S

A

A

G

I

V

W

V

S

T

E

Q

N

D

I

L

T

A

R

R

A

A

H

H

R

R

V

A

A

I

G

H

Q

R

I

L

E

E

A

A

G

G

I

I

I

C

W

W

V

I

N

N

S

T

W

W

F

G

L

E

R

S

D

P

L

A

R

E

T

M

P

P

F

V

G

G

G

G

S

Y

K

K

Q

Q

S

S

G

G

V

V

G

G

R

R

E
|
E

G

N

G

G

V

L

H

T

S

T

L

L

E

A

F

H

Y

Y

T

T

E

R

M

I

K

K

N

S

I

V

C

Q

V

V

K

E

L

L

active site: N152 (= N155), K175 (= K178), E251 (= E254), C285 (= C288), E386 (= E390), E463 (= E467)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: I148 (= I151), G149 (≠ S152), W151 (= W154), N152 (= N155), K175 (= K178), S177 (= S180), E178 (= E181), G208 (= G212), G212 (= G216), F226 (= F230), T227 (= T231), G228 (= G232), G229 (≠ E233), T232 (= T236), V236 (≠ I240), E251 (= E254), L252 (= L255), C285 (= C288), E386 (= E390), F388 (= F392)

2wmeA Crystallographic structure of betaine aldehyde dehydrogenase from pseudomonas aeruginosa (see paper)
40% identity, 100% coverage: 1:486/486 of query aligns to 3:482/489 of 2wmeA

query
sites
2wmeA

M

F

K

E

D

E

I

Q

K

K

H

L

Y

Y

I

I

N

G

G

G

Q

R

Y

Y

V

V

G

E

S

A

A

S

S

S

G

G

R

A

L

T

F

F

D

E

N

T

V

I

N

N

P

P

A

A

N

N

G

G

K

E

V

V

I

L

S

A

K

K

V

V

H

Q

E

R

A

A

G

S

R

R

E

E

E

D

V

V

D

E

A

R

A

A

V

V

K

Q

A

S

A

A

R

V

A

E

A

G

L

Q

R

K

G

-

P

V

W

W

G

A

K

A

M

M

T

T

L

A

E

M

Q

Q

R

R

T

S

A

R

I

I

L

L

H

R

K

R

V

A

A

V

D

D

G

I

I

L

N

R

A

E

R

R

F

N

D

D

E

E

F

L

L

A

E

A

A

L

E

E

C

T

L

L

D

D

T

T

G

G

K

K

P

P

K

L

S

A

L

E

A

T

S

R

H

S

I

V

D

D

I

I

P

V

R

T

G

G

A

A

A

D

N

V

F

L

K

E

V

Y

F

Y

A

A

D

G

M

L

I

V

K

P

N

A

V

I

P

E

T

G

E

E

S

Q

F

I

E

-

M

-

P

-

T

-

P

P

D

L

G

R

T

E

G

T

A

S

L

F

N

V

Y

Y

A

T

V

R

R

R

R

E

P

P

K

L

G

G

V

V

I

V

G

A

V

G

I

I

S
x
G

P

A

W
|
W

N
|
N

L

Y

P

P

L

V

L

Q

L

I

M

A

T

L

W

W

K

K

V

S

G

A

P

P

A

A

L

L

A

A

C

A

G

G

N

N

T

A

V

M

V

I

V

F

K
|
K

P

P

S
|
S

E
|
E

E

V

T

T

P

P

T

L

T

T

T

A

A

L

L

K

L

L

G

A

E

E

V

I

M

Y

K

T

E

E

A

A

G

G

V

V

P

P

D

D

G

G

V

V

Y

F

N

N

V

V

V

L

H

T

G

G

F

-

G

S

G
|
G

D

R

S

E

A

V

G
|
G

A

Q

Y

W

L

L

T

T

E

E

H

H

P

P

Q

L

V

I

D

E

G

K

F

I

T

S

F
|
F

T

T

G
|
G

E
x
G

T

T

G

S

T
|
T

G

G

E

K

V

K

I
x
V

M

M

-

A

K

S

A

A

A

S

A

S

K

S

G

S

I

L

R

K

D

E

I

V

S

T

L

M

E
|
E

L

L

G

G

G

G

K

K

N

S

A

P

G

L

L

I

V

I

F

F

A

P

D

D

C

A

D

D

M

L

E

D

K

R

A

A

I

A

E

D

G

I

T

A

M

V

R

M

S

A

A

N

F

F

A

F

N

S

C

S

G

G

Q

Q

V

V

C
|
C

L

T

G

N

T

G

E

T

R

R

V

V

Y

F

V

I

E

H

R

R

S

S

I

Q

F

Q

D

A

E

R

F

F

V

E

G

A

R

K

L

V

K

L

E

E

A

R

A

V

E

Q

G

R

L

I

K

R

I

L

G

G

P

D

P

P

D

Q

D

D

A

E

D

N

A

T

N

N

L

F

G

G

P

P

L

L

V

V

S

S

L

F

K

P

H

H

R

M

E

E

K

S

V

V

L

L

S

G

Y

Y

Y

I

Q

E

K

S

A

G

V

K

D

A

D

Q

G

K

A

A

T

R

V

L

V

L

T

C

G

G

G

G

-

E

G

R

V

V

P

T

D

D

M

-

P

-

A

G

E

A

L

F

A

G

G

K

G

G

A

A

W

Y

V

V

E

A

P

P

T

T

I

V

W

F

T

T

G

D

L

C

P

R

D

D

D

D

S

M

A

T

V

I

V

V

T

R

D

E

E
|
E

I

I

F

F

G

G

P

P

C

V

C

M

H

S

I

I

R

L

P

V

F

Y

D

D

T

D

E

E

E

D

E

E

A

A

I

I

E

R

L

R

A

A

N

N

S

D

L

T

P

E

Y

Y

G

G

L

L

A

A

S

A

A

G

I

V

W

V

S

T

E

Q

N

D

I

L

T

A

R

R

A

A

H

H

R

R

V

A

A

I

G

H

Q

R

I

L

E

E

A

A

G

G

I

I

I

C

W

W

V

I

N

N

S

T

W

W

F

G

L

E

R

S

D

P

L

A

R

E

T

M

P

P

F

V

G

G

G

G

S

Y

K

K

Q

Q

S

S

G

G

V

V

G

G

R

R

E
|
E

G

N

G

G

V

L

H

T

S

T

L

L

E

A

F

H

Y

Y

T

T

E

R

M

I

K

K

N

S

I

V

C

Q

V

V

K

E

L

L

active site: N152 (= N155), K175 (= K178), E251 (= E254), C285 (= C288), E386 (= E390), E463 (= E467)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G149 (≠ S152), W151 (= W154), K175 (= K178), S177 (= S180), E178 (= E181), G208 (= G212), G212 (= G216), F226 (= F230), G228 (= G232), G229 (≠ E233), T232 (= T236), V236 (≠ I240)

8skfA Crystal structure of betaine aldehyde dehydrogenase (betb) from klebsiella aerogenes (lattice translocation disorder)
40% identity, 100% coverage: 1:486/486 of query aligns to 11:490/497 of 8skfA

query
sites
8skfA

M

M

K

A

D

E

I

Q

K

Q

H

L

Y

Y

I

I

N

H

G

G

Q

K

Y

F

V

V

G

A

S

A

A

T

S

S

G

G

R

K

L

T

F

F

D

E

N
x
T

V
x
I

N

N

P

P

A

A

N

T

G

G

K

E

V

V

I

L

S

A

K

T

V

V

H

Q

E

A

A

A

G

G

R

R

E

E

E

D

V

V

D

D

A

R

A

A

V

V

K

K

A

S

A

A

R

Q

A

Q

A

G

L

Q

R

K

G

-

P

V

W

W

G

A

K

A

M

M

T

S

L

A

E

M

Q

A

R

R

T

S

A

R

I

I

L

L

H

R

K

K

V

A

A

V

D

D

G

I

I

L

N

R

A

E

R

R

F

N

D

D

E

E

F

L

L

A

E

R

A

L

E

E

C

T

L

L

D
|
D

T

T

G

G

K

K

P

P

K

L

S

S

L

E

A

T

S

A

H

A

I

V

D

D

I

I

P

V

R

T

G

G

A

A

A

D

N

V

F

L

K

E

V

Y

F

Y

A

A

D

G

M

L

I

I

K

P

N

A

V

L

P

-

T

-

E

E

S

G

F

S

E

Q

M

I

P

P

T

L

P

R

D

D

G

S

T

S

G

-

A

-

L

F

N

V

Y

Y

A

T

V

R

R

R

R

E

P

P

K

L

G

G

V

V

I

V

G

A

V

G

I
|
I

S
x
G

P
x
A

W
|
W

N

N

L

Y

P

P

L

I

L

Q

L

I

M

A

T

L

W

W

K

K

V

S

G

A

P

P

A

A

L

L

A

A

C

A

G

G

N

N

T

A

V

M

V

I

V

F

K
|
K

P

P

S

S

E
|
E

E
x
V

T

T

P

P

T

L

T

T

T

A

A

L

L

K

L

L

G

A

E

E

V

I

M

Y

K

R

E

E

A

A

G

G

V

L

P

P

D

D

G

G

V

V

Y

F

N

N

V

V

V

L

H

P

G

G

F

I

G
|
G

G

A

D

E

S

T

A

-

G
|
G

A

Q

Y

Y

L

L

T

T

E

E

H

H

P

P

Q

D

V

I

D

A

G

K

F

I

T

S

F

F

T
|
T

G
|
G

E
x
G

T

V

G

A

T
x
S

G

G

E

K

V
x
K

I

V

M

M

-

A

K

N

A

S

A

A

A

A

K

S

G

S

I

L

R

K

D

E

I

V

S

T

L

M

E
|
E

L

L

G

G

G

G

K

K

N

S

A

P

G

L

L

I

V

I

F

A

A

E

D

D

C

A

D

N

M

L

E

D

K

L

A

A

I

A

E

D

G

I

T

A

M

M

R

M

S

A

A

N

F

F

A

Y

N

S

C

S

G

G

Q

Q

V

V

C
|
C

L

T

G

N

T

G

E

T

R

R

V

V

Y

F

V

V

E

P

R

A

S

K

I

F

F

K

D

A

E

E

F

F

V

E

G

H

R

K

L

I

K

L

E

E

A

R

A

V

E

G

G

R

L

I

K

R

I

A

G

G

P

D

P

L

D

F

D

A

A

D

D

D

A

T

N

N

L

F

G

G

P

P

L

L

V

V

S

S

L

F

K

P

H

H

R

R

E

Q

K

N

V

V

L

L

S

R

Y

Y

Y

I

Q

E

K

S

A

G

V

K

D

S

D

E

G

G

A

A

T

R

V

L

V

L

T

C

G

G

G

G

G

D

V

V

P

-

D

-

M

L

P

K

A

G

E

E

-

G

L

F

A

D

G

N

G

G

A

A

W

W

V

V

E

A

P

P

T

T

I

V

W

F

T

T

G

D

L

C

P

T

D

D

D

D

S

M

A

T

V

I

V

V

T

R

D

E

E

E

I

I

F
|
F

G

G

P

P

C

V

C

M

H

S

I

I

R

L

P

S

F

Y

D

D

T

D

E

E

E

A

E

E

A

V

I

I

E

R

L

R

A

A

N

N

S

A

L

T

P

E

Y

Y

G

G

L

L

A

A

S

A

A

G

I

V

W

V

S

T

E

P

N

D

I

L

T

N

R

R

A

A

H

H

R

R

V

I

A

I

G

H

Q

Q

I

L

E

E

A

A

G

G

I

I

I

C

W

W

V

I

N

N

S

S

W

W

F

G

L

E

R

S

D

P

L

A

R

E

T

M

P

P

F

V

G

G

G

G

S

Y

K

K

Q

H

S

S

G

G

V

I

G

G

R

R

E

E

G

N

G

G

V

V

H

M

S

T

L

L

E

Q

F

S

Y

Y

T

T

E

Q

M

V

K

K

N

S

I

I

C

Q

V

V

K

E

L

M

binding calcium ion: T33 (≠ N23), I34 (≠ V24), D100 (= D91), V187 (≠ E182)
binding nicotinamide-adenine-dinucleotide: I156 (= I151), G157 (≠ S152), A158 (≠ P153), W159 (= W154), K183 (= K178), E186 (= E181), G216 (= G211), G220 (= G216), T235 (= T231), G236 (= G232), G237 (≠ E233), S240 (≠ T236), K243 (≠ V239), E259 (= E254), C293 (= C288), F396 (= F392)

8vr1A Crystal structure of betaine aldehyde dehydrogenase (betb) from klebsiella aerogenes (ctp bound)
40% identity, 100% coverage: 1:486/486 of query aligns to 2:481/488 of 8vr1A

query
sites
8vr1A

M

M

K

A

D

E

I

Q

K

Q

H

L

Y

Y

I

I

N

H

G

G

Q

K

Y

F

V

V

G

A

S

A

A

T

S

S

G

G

R

K

L

T

F

F

D

E

N

T

V

I

N

N

P

P

A

A

N

T

G

G

K

E

V

V

I

L

S

A

K

T

V

V

H

Q

E

A

A

A

G

G

R

R

E

E

E

D

V

V

D

D

A

R

A

A

V

V

K

K

A

S

A

A

R

Q

A

Q

A

G

L

Q

R

K

G

-

P

V

W

W

G

A

K

A

M

M

T

S

L

A

E

M

Q

A

R

R

T

S

A

R

I

I

L

L

H

R

K

K

V

A

A

V

D

D

G

I

I

L

N

R

A

E

R

R

F

N

D

D

E

E

F

L

L

A

E

R

A

L

E

E

C

T

L

L

D

D

T

T

G

G

K

K

P

P

K

L

S

S

L

E

A

T

S

A

H

A

I

V

D

D

I

I

P

V

R

T

G

G

A

A

A

D

N

V

F

L

K

E

V

Y

F

Y

A

A

D

G

M

L

I

I

K

P

N

A

V

L

P

-

T

-

E

E

S

G

F

S

E

Q

M

I

P

P

T

L

P

R

D

D

G

S

T

S

G

-

A

-

L

F

N

V

Y

Y

A

T

V

R

R

R

R

E

P

P

K

L

G

G

V

V

I

V

G

A

V

G

I

I

S

G

P

A

W
|
W

N

N

L

Y

P

P

L

I

L

Q

L

I

M

A

T

L

W

W

K

K

V

S

G

A

P

P

A

A

L

L

A

A

C

A

G

G

N

N

T

A

V

M

V

I

V

F

K

K

P

P

S

S

E

E

E

V

T

T

P

P

T

L

T

T

T

A

A

L

L

K

L

L

G

A

E

E

V

I

M

Y

K

R

E

E

A

A

G

G

V

L

P

P

D

D

G

G

V

V

Y

F

N

N

V

V

V

L

H

P

G

G

F

I

G

G

G

A

D

E

S

T

A

-

G

G

A

Q

Y

Y

L

L

T

T

E

E

H

H

P

P

Q

D

V

I

D

A

G

K

F

I

T

S

F

F

T

T

G
|
G

E
x
G

T

V

G
x
A

T
x
S

G

G

E

K

V

K

I

V

M

M

-

A

K

N

A

S

A

A

A

A

K

S

G

S

I

L

R

K

D

E

I

V

S

T

L

M

E

E

L

L

G

G

G

G

K

K

N

S

A

P

G

L

L

I

V

I

F

A

A

E

D

D

C

A

D

N

M

L

E

D

K

L

A

A

I

A

E

D

G

I

T

A

M

M

R

M

S

A

A

N

F

F

A

Y

N

S

C

S

G

G

Q

Q

V

V

C

C

L

T

G

N

T

G

E

T

R

R

V

V

Y

F

V

V

E

P

R

A

S

K

I

F

F

K

D

A

E

E

F

F

V

E

G

H

R

K

L

I

K

L

E

E

A

R

A

V

E

G

G

R

L

I

K

R

I

A

G

G

P

D

P

L

D

F

D

A

A

D

D

D

A

T

N

N

L

F

G

G

P

P

L

L

V

V

S

S

L

F

K

P

H

H

R

R

E

Q

K

N

V

V

L

L

S

R

Y

Y

Y

I

Q

E

K

S

A

G

V

K

D

S

D

E

G

G

A

A

T

R

V

L

V

L

T

C

G

G

G

G

G

D

V

V

P

-

D

-

M

L

P

K

A

G

E

E

-

G

L

F

A

D

G

N

G

G

A

A

W

W

V

V

E

A

P

P

T

T

I

V

W

F

T

T

G

D

L

C

P

T

D

D

D

D

S

M

A

T

V

I

V

V

T

R

D

E

E
|
E

I

I

F
|
F

G

G

P

P

C

V

C

M

H

S

I

I

R

L

P

S

F

Y

D

D

T

D

E

E

E

A

E

E

A

V

I

I

E

R

L

R

A

A

N

N

S

A

L

T

P

E

Y

Y

G

G

L

L

A

A

S

A

A

G

I

V

W

V

S

T

E

P

N

D

I

L

T

N

R

R

A

A

H

H

R

R

V

I

A

I

G

H

Q

Q

I

L

E

E

A

A

G

G

I

I

I

C

W

W

V

I

N

N

S

S

W

W

F

G

L

E

R

S

D

P

L

A

R

E

T

M

P

P

F

V

G

G

G

G

S

Y

K

K

Q

H

S

S

G

G

V

I

G

G

R

R

E

E

G

N

G

G

V

V

H

M

S

T

L

L

E

Q

F

S

Y

Y

T

T

E

Q

M

V

K

K

N

S

I

I

C

Q

V

V

K

E

L

M

binding cytidine-5'-triphosphate: W150 (= W154), G227 (= G232), G228 (≠ E233), A230 (≠ G235), S231 (≠ T236), E385 (= E390), F387 (= F392)

8vr0A Crystal structure of betaine aldehyde dehydrogenase (betb) from klebsiella aerogenes (gmp bound)
40% identity, 100% coverage: 1:486/486 of query aligns to 2:481/488 of 8vr0A

query
sites
8vr0A

M

M

K

A

D

E

I

Q

K

Q

H

L

Y

Y

I

I

N

H

G

G

Q

K

Y

F

V

V

G

A

S

A

A

T

S

S

G

G

R

K

L

T

F

F

D

E

N

T

V

I

N

N

P

P

A

A

N

T

G

G

K

E

V

V

I

L

S

A

K

T

V

V

H

Q

E

A

A

A

G

G

R

R

E

E

E

D

V

V

D

D

A

R

A

A

V

V

K

K

A

S

A

A

R

Q

A

Q

A

G

L

Q

R

K

G

-

P

V

W

W

G

A

K

A

M

M

T

S

L

A

E

M

Q

A

R

R

T

S

A

R

I

I

L

L

H

R

K

K

V

A

A

V

D

D

G

I

I

L

N

R

A

E

R

R

F

N

D

D

E

E

F

L

L

A

E

R

A

L

E

E

C

T

L

L

D

D

T

T

G

G

K

K

P

P

K

L

S

S

L

E

A

T

S

A

H

A

I

V

D

D

I

I

P

V

R

T

G

G

A

A

A

D

N

V

F

L

K

E

V

Y

F

Y

A

A

D

G

M

L

I

I

K

P

N

A

V

L

P

-

T

-

E

E

S

G

F

S

E

Q

M

I

P

P

T

L

P

R

D

D

G

S

T

S

G

-

A

-

L

F

N

V

Y

Y

A

T

V

R

R

R

R

E

P

P

K

L

G

G

V

V

I

V

G

A

V

G

I

I

S

G

P

A

W
|
W

N

N

L

Y

P

P

L

I

L

Q

L

I

M

A

T

L

W

W

K

K

V

S

G

A

P

P

A

A

L

L

A

A

C

A

G

G

N

N

T

A

V

M

V

I

V

F

K

K

P

P

S

S

E

E

E

V

T

T

P

P

T

L

T

T

T

A

A

L

L

K

L

L

G

A

E

E

V

I

M

Y

K

R

E

E

A

A

G

G

V

L

P

P

D

D

G

G

V

V

Y

F

N

N

V

V

V

L

H

P

G

G

F

I

G

G

G

A

D

E

S

T

A

-

G

G

A

Q

Y

Y

L

L

T

T

E

E

H

H

P

P

Q

D

V

I

D

A

G

K

F

I

T

S

F

F

T

T

G
|
G

E
x
G

T

V

G

A

T

S

G

G

E

K

V

K

I

V

M

M

-

A

K

N

A

S

A

A

A

A

K

S

G

S

I

L

R

K

D

E

I

V

S

T

L

M

E

E

L

L

G

G

G

G

K

K

N

S

A

P

G

L

L

I

V

I

F

A

A

E

D

D

C

A

D

N

M

L

E

D

K

L

A

A

I

A

E

D

G

I

T

A

M

M

R

M

S

A

A

N

F

F

A

Y

N

S

C

S

G

G

Q

Q

V

V

C

C

L

T

G

N

T

G

E

T

R

R

V

V

Y

F

V

V

E

P

R

A

S

K

I

F

F

K

D

A

E

E

F

F

V

E

G

H

R

K

L

I

K

L

E

E

A

R

A

V

E

G

G

R

L

I

K

R

I

A

G

G

P

D

P

L

D

F

D

A

A

D

D

D

A

T

N

N

L

F

G

G

P

P

L

L

V

V

S

S

L

F

K

P

H
|
H

R

R

E

Q

K

N

V

V

L

L

S

R

Y

Y

Y

I

Q

E

K

S

A

G

V

K

D

S

D

E

G

G

A

A

T

R

V

L

V

L

T

C

G

G

G

G

G

D

V

V

P

-

D

-

M

L

P

K

A

G

E

E

-

G

L

F

A

D

G

N

G

G

A

A

W

W

V

V

E

A

P

P

T

T

I

V

W

F

T

T

G

D

L

C

P

T

D

D

D

D

S

M

A

T

V

I

V

V

T

R

D

E

E
|
E

I

I

F
|
F

G

G

P

P

C

V

C

M

H

S

I

I

R

L

P

S

F

Y

D

D

T

D

E

E

E

A

E

E

A

V

I

I

E

R

L

R

A

A

N

N

S

A

L

T

P

E

Y

Y

G

G

L

L

A

A

S

A

A

G

I

V

W

V

S

T

E

P

N

D

I

L

T

N

R

R

A

A

H

H

R

R

V

I

A

I

G

H

Q

Q

I

L

E

E

A

A

G

G

I

I

I

C

W

W

V

I

N

N

S

S

W

W

F

G

L

E

R

S

D

P

L

A

R

E

T

M

P

P

F

V

G

G

G

G

S

Y

K

K

Q

H

S

S

G

G

V

I

G

G

R

R

E

E

G

N

G

G

V

V

H

M

S

T

L

L

E

Q

F

S

Y

Y

T

T

E

Q

M

V

K

K

N

S

I

I

C

Q

V

V

K

E

L

M

binding guanosine-5'-monophosphate: W150 (= W154), G227 (= G232), G228 (≠ E233), H331 (= H335), E385 (= E390), F387 (= F392)

8vqzA Crystal structure of betaine aldehyde dehydrogenase (betb) from klebsiella aerogenes (cmp bound)
40% identity, 100% coverage: 1:486/486 of query aligns to 2:481/488 of 8vqzA

query
sites
8vqzA

M

M

K

A

D

E

I

Q

K

Q

H

L

Y

Y

I

I

N

H

G

G

Q

K

Y

F

V

V

G

A

S

A

A

T

S

S

G

G

R

K

L

T

F

F

D

E

N

T

V

I

N

N

P

P

A

A

N

T

G

G

K

E

V

V

I

L

S

A

K

T

V

V

H

Q

E

A

A

A

G

G

R

R

E

E

E

D

V

V

D

D

A

R

A

A

V

V

K

K

A

S

A

A

R

Q

A

Q

A

G

L

Q

R

K

G

-

P

V

W

W

G

A

K

A

M

M

T

S

L

A

E

M

Q

A

R

R

T

S

A

R

I

I

L

L

H

R

K

K

V

A

A

V

D

D

G

I

I

L

N

R

A

E

R

R

F

N

D

D

E

E

F

L

L

A

E

R

A

L

E

E

C

T

L

L

D

D

T

T

G

G

K

K

P

P

K

L

S

S

L

E

A

T

S

A

H

A

I

V

D

D

I

I

P

V

R

T

G

G

A

A

A

D

N

V

F

L

K

E

V

Y

F

Y

A

A

D

G

M

L

I

I

K

P

N

A

V

L

P

-

T

-

E

E

S

G

F

S

E

Q

M

I

P

P

T

L

P

R

D

D

G

S

T

S

G

-

A

-

L

F

N

V

Y

Y

A

T

V

R

R

R

R

E

P

P

K

L

G

G

V

V

I

V

G

A

V

G

I

I

S

G

P

A

W
|
W

N

N

L

Y

P

P

L

I

L

Q

L

I

M

A

T

L

W

W

K

K

V

S

G

A

P

P

A

A

L

L

A

A

C

A

G

G

N

N

T

A

V

M

V

I

V

F

K

K

P

P

S

S

E

E

E

V

T

T

P

P

T

L

T

T

T

A

A

L

L

K

L

L

G

A

E

E

V

I

M

Y

K

R

E

E

A

A

G

G

V

L

P

P

D

D

G

G

V

V

Y

F

N

N

V

V

V

L

H

P

G

G

F

I

G

G

G

A

D

E

S

T

A

-

G

G

A

Q

Y

Y

L

L

T

T

E

E

H

H

P

P

Q

D

V

I

D

A

G

K

F

I

T

S

F

F

T

T

G
|
G

E
x
G

T

V

G

A

T

S

G

G

E

K

V

K

I

V

M

M

-

A

K

N

A

S

A

A

A

A

K

S

G

S

I

L

R

K

D

E

I

V

S

T

L

M

E

E

L

L

G

G

G

G

K

K

N

S

A

P

G

L

L

I

V

I

F

A

A

E

D

D

C

A

D

N

M

L

E

D

K

L

A

A

I

A

E

D

G

I

T

A

M

M

R

M

S

A

A

N

F

F

A

Y

N

S

C

S

G

G

Q

Q

V

V

C

C

L

T

G

N

T

G

E

T

R

R

V

V

Y

F

V

V

E

P

R

A

S

K

I

F

F

K

D

A

E

E

F

F

V

E

G

H

R

K

L

I

K

L

E

E

A

R

A

V

E

G

G

R

L

I

K

R

I

A

G

G

P

D

P

L

D

F

D

A

A

D

D

D

A

T

N

N

L

F

G

G

P

P

L

L

V

V

S

S

L

F

K

P

H
|
H

R

R

E

Q

K
x
N

V

V

L

L

S

R

Y

Y

Y

I

Q

E

K

S

A

G

V

K

D

S

D

E

G

G

A

A

T

R

V

L

V

L

T

C

G

G

G

G

G

D

V

V

P

-

D

-

M

L

P

K

A

G

E

E

-

G

L

F

A

D

G

N

G

G

A

A

W

W

V

V

E

A

P

P

T

T

I

V

W

F

T

T

G

D

L

C

P

T

D

D

D

D

S

M

A

T

V

I

V

V

T

R

D

E

E
|
E

I

I

F
|
F

G

G

P

P

C

V

C

M

H

S

I

I

R

L

P

S

F

Y

D

D

T

D

E

E

E

A

E

E

A

V

I

I

E

R

L

R

A

A

N

N

S

A

L

T

P

E

Y

Y

G

G

L

L

A

A

S

A

A

G

I

V

W

V

S

T

E

P

N

D

I

L

T

N

R

R

A

A

H

H

R

R

V

I

A

I

G

H

Q

Q

I

L

E

E

A

A

G

G

I

I

I

C

W

W

V

I

N

N

S

S

W

W

F

G

L

E

R

S

D

P

L

A

R

E

T

M

P

P

F

V

G

G

G

G

S

Y

K

K

Q

H

S

S

G

G

V

I

G

G

R

R

E

E

G

N

G

G

V

V

H

M

S

T

L

L

E

Q

F

S

Y

Y

T

T

E

Q

M

V

K

K

N

S

I

I

C

Q

V

V

K

E

L

M

binding cytidine-5'-monophosphate: W150 (= W154), G227 (= G232), G228 (≠ E233), H331 (= H335), N334 (≠ K338), E385 (= E390), F387 (= F392)

8vqwC Crystal structure of betaine aldehyde dehydrogenase (betb) from klebsiella aerogenes (coa bound)
40% identity, 100% coverage: 1:486/486 of query aligns to 2:481/488 of 8vqwC

query
sites
8vqwC

M

M

K

A

D

E

I

Q

K

Q

H

L

Y

Y

I

I

N

H

G

G

Q

K

Y

F

V

V

G

A

S

A

A

T

S

S

G

G

R

K

L

T

F

F

D

E

N

T

V

I

N

N

P

P

A

A

N

T

G

G

K

E

V

V

I

L

S

A

K

T

V

V

H

Q

E

A

A

A

G

G

R

R

E

E

E

D

V

V

D

D

A

R

A

A

V

V

K

K

A

S

A

A

R

Q

A

Q

A

G

L

Q

R

K

G

-

P

V

W

W

G

A

K

A

M

M

T

S

L

A

E

M

Q

A

R

R

T

S

A

R

I

I

L

L

H

R

K

K

V

A

A

V

D

D

G

I

I

L

N

R

A

E

R

R

F

N

D

D

E

E

F

L

L

A

E

R

A

L

E

E

C

T

L

L

D

D

T

T

G

G

K

K

P

P

K

L

S

S

L

E

A

T

S

A

H

A

I

V

D

D

I

I

P

V

R

T

G

G

A

A

A

D

N

V

F

L

K

E

V

Y

F

Y

A

A

D

G

M

L

I

I

K

P

N

A

V

L

P

-

T

-

E

E

S

G

F

S

E

Q

M

I

P

P

T

L

P

R

D

D

G

S

T

S

G

-

A

-

L

F

N

V

Y

Y

A

T

V

R

R

R

R

E

P

P

K

L

G

G

V

V

I

V

G

A

V

G

I
|
I

S

G

P

A

W
|
W

N

N

L

Y

P

P

L

I

L

Q

L

I

M

A

T

L

W

W

K

K

V

S

G

A

P

P

A

A

L

L

A

A

C

A

G

G

N

N

T

A

V

M

V

I

V

F

K
|
K

P

P

S
|
S

E
|
E

E

V

T

T

P

P

T

L

T

T

T

A

A

L

L

K

L

L

G

A

E

E

V

I

M

Y

K

R

E

E

A

A

G

G

V

L

P

P

D

D

G

G

V

V

Y

F

N

N

V

V

V

L

H

P

G

G

F

I

G
|
G

G

A

D

E

S

T

A

-

G
|
G

A

Q

Y

Y

L

L

T

T

E

E

H

H

P

P

Q

D

V

I

D

A

G

K

F

I

T

S

F
|
F

T

T

G
|
G

E
x
G

T

V

G

A

T
x
S

G

G

E

K

V

K

I

V

M

M

-

A

K

N

A

S

A

A

A

A

K

S

G

S

I

L

R

K

D

E

I

V

S

T

L

M

E

E

L

L

G

G

G

G

K

K

N

S

A

P

G

L

L

I

V

I

F

A

A

E

D

D

C

A

D

N

M

L

E

D

K

L

A

A

I

A

E

D

G

I

T

A

M

M

R

M

S

A

A

N

F

F

A

Y

N

S

C

S

G

G

Q

Q

V

V

C

C

L

T

G

N

T

G

E

T

R

R

V

V

Y

F

V

V

E

P

R

A

S

K

I

F

F

K

D

A

E

E

F

F

V

E

G

H

R

K

L

I

K

L

E

E

A

R

A

V

E

G

G

R

L

I

K

R

I

A

G

G

P

D

P

L

D

F

D

A

A

D

D

D

A

T

N

N

L

F

G

G

P

P

L

L

V

V

S

S

L

F

K

P

H
|
H

R

R

E

Q

K

N

V

V

L

L

S

R

Y

Y

Y

I

Q

E

K

S

A

G

V

K

D

S

D

E

G

G

A

A

T

R

V

L

V

L

T

C

G

G

G

G

G

D

V

V

P

-

D

-

M

L

P

K

A

G

E

E

-

G

L

F

A

D

G

N

G

G

A

A

W

W

V

V

E

A

P

P

T

T

I

V

W

F

T

T

G

D

L

C

P

T

D

D

D

D

S

M

A

T

V

I

V

V

T

R

D

E

E

E

I

I

F
|
F

G

G

P

P

C

V

C

M

H

S

I

I

R

L

P

S

F

Y

D

D

T

D

E

E

E

A

E

E

A

V

I

I

E

R

L

R

A

A

N

N

S

A

L

T

P

E

Y

Y

G

G

L

L

A

A

S

A

A

G

I

V

W

V

S

T

E

P

N

D

I

L

T

N

R

R

A

A

H

H

R

R

V

I

A

I

G

H

Q

Q

I

L

E

E

A

A

G

G

I

I

I

C

W

W

V

I

N

N

S

S

W

W

F

G

L

E

R

S

D

P

L

A

R

E

T

M

P

P

F

V

G

G

G

G

S

Y

K

K

Q

H

S

S

G

G

V

I

G

G

R

R

E

E

G

N

G

G

V

V

H

M

S

T

L

L

E

Q

F

S

Y

Y

T

T

E

Q

M

V

K

K

N

S

I

I

C

Q

V

V

K

E

L

M

binding coenzyme a: I147 (= I151), W150 (= W154), K174 (= K178), S176 (= S180), E177 (= E181), G207 (= G211), G211 (= G216), F225 (= F230), G227 (= G232), G228 (≠ E233), S231 (≠ T236), H331 (= H335), F387 (= F392)

8vj3A Crystal structure of betaine aldehyde dehydrogenase (betb) from klebsiella aerogenes (fad bound)
40% identity, 100% coverage: 1:486/486 of query aligns to 2:481/488 of 8vj3A

query
sites
8vj3A

M

M

K

A

D

E

I

Q

K

Q

H

L

Y

Y

I

I

N

H

G

G

Q

K

Y

F

V

V

G

A

S

A

A

T

S

S

G

G

R

K

L

T

F

F

D

E

N

T

V

I

N

N

P

P

A

A

N

T

G

G

K

E

V

V

I

L

S

A

K

T

V

V

H

Q

E

A

A

A

G

G

R

R

E

E

E

D

V

V

D

D

A

R

A

A

V

V

K

K

A

S

A

A

R

Q

A

Q

A

G

L

Q

R

K

G

-

P

V

W

W

G

A

K

A

M

M

T

S

L

A

E

M

Q

A

R

R

T

S

A

R

I

I

L

L

H

R

K

K

V

A

A

V

D

D

G

I

I

L

N

R

A

E

R

R

F

N

D

D

E

E

F

L

L

A

E

R

A

L

E

E

C

T

L

L

D

D

T

T

G

G

K

K

P

P

K

L

S

S

L

E

A

T

S

A

H

A

I

V

D

D

I

I

P

V

R

T

G

G

A

A

A

D

N

V

F

L

K

E

V

Y

F

Y

A

A

D

G

M

L

I

I

K

P

N

A

V

L

P

-

T

-

E

E

S

G

F

S

E

Q

M

I

P

P

T

L

P

R

D

D

G

S

T

S

G

-

A

-

L

F

N

V

Y

Y

A

T

V

R

R

R

R

E

P

P

K

L

G

G

V

V

I

V

G

A

V

G

I
|
I

S
x
G

P

A

W
|
W

N

N

L

Y

P

P

L

I

L

Q

L

I

M

A

T

L

W

W

K

K

V

S

G

A

P

P

A

A

L

L

A

A

C

A

G

G

N

N

T

A

V

M

V

I

V

F

K
|
K

P

P

S
|
S

E
|
E

E

V

T

T

P

P

T

L

T

T

T

A

A

L

L

K

L

L

G

A

E

E

V

I

M

Y

K

R

E

E

A

A

G

G

V

L

P

P

D

D

G

G

V

V

Y

F

N

N

V

V

V

L

H

P

G

G

F

I

G
|
G

G

A

D

E

S

T

A

-

G
|
G

A

Q

Y

Y

L

L

T

T

E

E

H

H

P

P

Q

D

V

I

D

A

G

K

F

I

T

S

F
|
F

T

T

G

G

E

G

T

V

G

A

T
x
S

G

G

E

K

V

K

I

V

M

M

-

A

K

N

A

S

A

A

A

A

K

S

G

S

I

L

R

K

D

E

I

V

S

T

L

M

E

E

L

L

G

G

G

G

K

K

N

S

A

P

G

L

L

I

V

I

F

A

A

E

D

D

C

A

D

N

M

L

E

D

K

L

A

A

I

A

E

D

G

I

T

A

M

M

R

M

S

A

A

N

F

F

A

Y

N

S

C

S

G

G

Q

Q

V

V

C

C

L

T

G

N

T

G

E

T

R

R

V

V

Y

F

V

V

E

P

R

A

S

K

I

F

F

K

D

A

E

E

F

F

V

E

G

H

R

K

L

I

K

L

E

E

A

R

A

V

E

G

G

R

L

I

K

R

I

A

G

G

P

D

P

L

D

F

D

A

A

D

D

D

A

T

N

N

L

F

G

G

P

P

L

L

V

V

S

S

L

F

K

P

H

H

R

R

E

Q

K

N

V

V

L

L

S

R

Y

Y

Y

I

Q

E

K

S

A

G

V

K

D

S

D

E

G

G

A

A

T

R

V

L

V

L

T

C

G

G

G

G

G

D

V

V

P

-

D

-

M

L

P

K

A

G

E

E

-

G

L

F

A

D

G

N

G

G

A

A

W

W

V

V

E

A

P

P

T

T

I

V

W

F

T

T

G

D

L

C

P

T

D

D

D

D

S

M

A

T

V

I

V

V

T

R

D

E

E

E

I

I

F

F

G

G

P

P

C

V

C

M

H

S

I

I

R

L

P

S

F

Y

D

D

T

D

E

E

E

A

E

E

A

V

I

I

E

R

L

R

A

A

N

N

S

A

L

T

P

E

Y

Y

G

G

L

L

A

A

S

A

A

G

I

V

W

V

S

T

E

P

N

D

I

L

T

N

R

R

A

A

H

H

R

R

V

I

A

I

G

H

Q

Q

I

L

E

E

A

A

G

G

I

I

I

C

W

W

V

I

N

N

S

S

W

W

F

G

L

E

R

S

D

P

L

A

R

E

T

M

P

P

F

V

G

G

G

G

S

Y

K

K

Q

H

S

S

G

G

V

I

G

G

R

R

E

E

G

N

G

G

V

V

H

M

S

T

L

L

E

Q

F

S

Y

Y

T

T

E

Q

M

V

K

K

N

S

I

I

C

Q

V

V

K

E

L

M

binding flavin-adenine dinucleotide: I147 (= I151), G148 (≠ S152), W150 (= W154), K174 (= K178), S176 (= S180), E177 (= E181), G207 (= G211), G211 (= G216), F225 (= F230), S231 (≠ T236)

Query Sequence

>GFF4092 HP15_4032 betaine aldehyde dehydrogenase
MKDIKHYINGQYVGSASGRLFDNVNPANGKVISKVHEAGREEVDAAVKAARAALRGPWGK
MTLEQRTAILHKVADGINARFDEFLEAECLDTGKPKSLASHIDIPRGAANFKVFADMIKN
VPTESFEMPTPDGTGALNYAVRRPKGVIGVISPWNLPLLLMTWKVGPALACGNTVVVKPS
EETPTTTALLGEVMKEAGVPDGVYNVVHGFGGDSAGAYLTEHPQVDGFTFTGETGTGEVI
MKAAAKGIRDISLELGGKNAGLVFADCDMEKAIEGTMRSAFANCGQVCLGTERVYVERSI
FDEFVGRLKEAAEGLKIGPPDDADANLGPLVSLKHREKVLSYYQKAVDDGATVVTGGGVP
DMPAELAGGAWVEPTIWTGLPDDSAVVTDEIFGPCCHIRPFDTEEEAIELANSLPYGLAS
AIWSENITRAHRVAGQIEAGIIWVNSWFLRDLRTPFGGSKQSGVGREGGVHSLEFYTEMK
NICVKL

Or try a new SitesBLAST search

SitesBLAST's Database

SitesBLAST's database includes (1) SwissProt entries with experimentally-supported functional features; and (2) protein structures with bound ligands, from the BioLip database.

by Morgan Price, Arkin group
Lawrence Berkeley National Laboratory