SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing PP_0708 FitnessBrowser__Putida:PP_0708 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)

P17202 Aminoaldehyde dehydrogenase BADH; 4-trimethylammoniobutyraldehyde dehydrogenase BADH; Aminobutyraldehyde dehydrogenase BADH; Betaine aldehyde dehydrogenase; SoBADH; EC 1.2.1.-; EC 1.2.1.47; EC 1.2.1.19; EC 1.2.1.8 from Spinacia oleracea (Spinach) (see 3 papers)
44% identity, 98% coverage: 6:473/476 of query aligns to 11:484/497 of P17202

query
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P17202

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I28 (≠ N23) binding
D96 (≠ N89) binding
SPW 156:158 (≠ VPW 148:150) binding
Y160 (≠ F152) mutation to A: Decreases binding affinity for betaine aldehyde; increases binding affinity for 4-(trimethylamino)butanal.
W167 (= W159) mutation to A: Decreases binding affinity for betaine aldehyde; increases binding affinity for 4-aminobutanal.
KPSE 182:185 (= KPSE 174:177) binding
L186 (≠ V178) binding
SSAT 236:239 (≠ SNSV 227:230) binding
V251 (≠ C242) binding in other chain
L258 (= L249) binding
W285 (= W276) mutation to A: Decreases binding affinity for betaine aldehyde.
E390 (= E379) binding
A441 (≠ H430) mutation to I: Decreases binding affinity for betaine aldehyde; increases binding affinity for 4-aminobutanal.
C450 (≠ V439) mutation to S: Loss of partial inactivation by betaine aldehyde in the absence of NAD(+).
W456 (= W445) binding ; mutation to A: Decreases binding affinity for betaine aldehyde.
K460 (= K449) binding

4v37A Crystal structure of betaine aldehyde dehydrogenase from spinach showing a thiohemiacetal with 3-aminopropionaldehyde
44% identity, 98% coverage: 6:473/476 of query aligns to 9:482/495 of 4v37A

query
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active site: N157 (= N151), K180 (= K174), E255 (= E248), A289 (≠ C282), E388 (= E379), E465 (= E456)
binding 3-aminopropan-1-ol: C448 (≠ V439), W454 (= W445)
binding nicotinamide-adenine-dinucleotide: I153 (= I147), S154 (≠ V148), P155 (= P149), W156 (= W150), N157 (= N151), M162 (≠ T156), K180 (= K174), S182 (= S176), E183 (= E177), G213 (≠ A207), G217 (= G210), A218 (= A211), T232 (= T225), G233 (= G226), S234 (= S227), T237 (≠ V230), E255 (= E248), L256 (= L249), A289 (≠ C282), E388 (= E379), F390 (= F381)

O24174 Betaine aldehyde dehydrogenase 1; OsBADH1; EC 1.2.1.8 from Oryza sativa subsp. japonica (Rice) (see paper)
45% identity, 98% coverage: 6:473/476 of query aligns to 13:489/505 of O24174

query
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W

I

A

V

M

A

F

G

G

I

C

S

F

W

A

N

N

A

A

G

G

Q

Q

M

V

C

C

S

S

A

A

T

T

S

S

R

R

L

L

V

L

Q

H

D

E

G

K

I

I

A

A

D

K

A

R

L

F

L

L

P

D

R

R

L

L

Q

V

A

A

A

W

L

A

E

K

N

S

L

I

R

K

V

I

G

S

N

D

P

P

L

L

T

E

E

E

E

G

V

C

D

R

M

L

G

G

P

S

L

V

T

V

S

S

Q

E

A

G

Q

Q

W

Y

L

Q

K

K

V

I

A

M

S

K

Y

F

F

I

A

S

T

T

A

A

R

R

E

C

E

E

G

G

L

A

Q

T

C

I

L

L

A

Y

G

G

-

A

-

R

-

P

H

Q

A

H

L

L

D

K

R

R

E

-

G

G

W

F

F

F

V

I

S

E

P

P

T

T

L

I

Y

I

T

T

D

N

V

V

P

S

K

T

D

S

S

M

R

Q

L

I

W

W

T

R

E

E

I

V

F

F

G

G

P

P

V

V

L

I

C

C

A

V

R

K

R

E

F

F

A

R

T

T

E

E

E

R

Q

E

A

A

I

V

A

E

E

L

A

A

N

N

D

D

S

T

R

H

F

Y

G

G

L

L

V

A

A

G

T

A

V

V

C

I

S

S

A

N

D

D

L

L

E

E

R

R

A

C

E

E

R

R

V

I

A

S

D

K

A

A

L

I

E

Q

V

S

G

G

H

I

V

V

W

W

I

I

N

N

S

C

V

S

Q

Q

A

P

V

C

F

F

V

V

E

Q

T

A

S

P

W

W

G

G

T

N

K

K

G

R

S

S

G

G

I

F

G

G

R

R

E

E

L

L

G

G

P

Q

W

W

G

G

L

L

S

D

A

N

Y

Y

Q

L

S

S

I

V

K

K

H

Q

V

V

T

T

R

K

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

Q56R04 Aminoaldehyde dehydrogenase 1; SlAMADH1; 4-trimethylammoniobutyraldehyde dehydrogenase AMADH1; Aminobutyraldehyde dehydrogenase AMADH1; Betaine aldehyde dehydrogenase AMADH1; Gamma-guanidinobutyraldehyde dehydrogenase AMADH1; EC 1.2.1.-; EC 1.2.1.47; EC 1.2.1.19; EC 1.2.1.8; EC 1.2.1.54 from Solanum lycopersicum (Tomato) (Lycopersicon esculentum) (see paper)
45% identity, 98% coverage: 6:472/476 of query aligns to 14:487/504 of Q56R04

query
sites
Q56R04

Y

Y

I

I

A

G

G

G

H

E

W

W

V

R

E

E

G

P

Q

V

G

K

S

K

D

N

C

R

I

I

S

P

V

I

N
x
I

D

N

P

P

A

A

L

T

G

E

Q

E

P

I

F

I

A

G

E

D

L

I

M

P

A

A

S

T

V

A

S

E

Q

D

V

V

D

D

Q

I

A

A

V

V

A

E

A

A

R

R

S

K

A

A

L

I

P

A

A

R

-

D

W

W

K

G

S

S

T

T

C

T

A

G

S

A

E

Q

R

R

A

A

A

K

F

Y

L

L

R

R

G

A

F

I

A

A

E

A

Q

K

L

V

G

L

Q

E

R

K

E

S

A

V

L

L

V

A

T

T

V

L

Q

E

M

S

R

L

N
x
D

N

S

G

G

K

K

P

T

R

L

H

Y

E

E

A

S

E

A

I

A

D

D

L

M

D

D

A

V

I

A

A

G

T

C

F

F

G

E

Y

Y

A

A

E

G

L

L

A

A

E

E

Q

A

L

L

P

D

S

S

K

R

N

R

R

M

T

T

-

P

V

V

P

N

L

L

A

N

A

S

P

D

G

S

F

Y

T

K

A

S

R

Y

T

V

R

L

L

R

E

E

P

P

V

L

G

G

V

V

G

G

L

L

I

I

V
x
T

P
|
P

W
|
W

N

N

F

Y

P

P

L

L

V

L

T

M

S

A

A

I

W

W

K

K

L

V

A

A

P

P

A

A

L

L

A

A

G

G

C

C

T

A

V

A

V

I

L

L

K
|
K

P
|
P

S
|
S

E
|
E

V
x
L

T

A

P

S

L

I

I

T

E

C

Q

L

A

E

Y

L

G

G

Q

E

I

I

A

C

D

R

A

E

L

I

G

G

L

L

P

P

A

S

G

G

V

A

L

L

N

N

I

I

V

L

N

T

G

G

K

L

A

G

-

P

E

E

T

A

G

G

A

G

A

P

L

L

S

A

N

S

H

H

N

P

G

H

L

V

D

D

K

K

L

I

S

S

F

F

T

T

G
|
G

S
|
S

N
x
G

S
x
P

V
x
T

G

G

S

S

Q

K

V

I

M

M

R

T

S

A

A

A

S

A

A

Q

Q

L

C

V

R

K

P

P

V

V

T

S

L

L

E
|
E

L
|
L

G

G

K

K

S

S

A

P

I

I

V

V

F

F

D

D

C

I

D

D

-

N

V

L

D

D

Q

I

A

A

V

A

E

E

W

W

I

T

V

L

A

F

G

G

I

I

S

F

W

A

N

N

A

T

G

G

Q

Q

M

V

C
|
C

S

S

A

A

T

T

S

S

R

R

L

L

L

I

V

V

Q

Q

D

E

G

N

I

I

A

A

D

S

A

A

L

F

L

M

P

D

R

R

L

L

Q

L

A

K

A

W

L

T

E

K

N

N

L

I

R

K

V

I

G

S

N

D

P

P

L

L

T

E

E

E

E

D

V

C

D

K

M

L

G

G

P

P

L

V

T

V

S

S

Q

A

A

G

Q

Q

W

Y

L

E

K

K

V

V

A

L

S

K

Y

F

F

I

A

S

T

N

A

A

R

K

E

S

E

E

G

G

L

A

Q

T

C

I

L

L

A

C

G

G

H

E

A

R

L

P

D

Q

-

H

-

L

R

K

E

K

G

G

W

Y

F

Y

V

V

S

Q

P

P

T

T

L

I

Y

I

T

T

D

D

V

V

P

N

K

T

D

S

S

M

R

E

L

I

W

W

T

K

E

E

E
|
E

I

V

F

F

G

G

P

P

V

V

L

L

C

C

A

V

R

K

R

T

F

F

A

K

T

T

E

E

Q

Q

A

A

I

I

A

E

E

L

A

A

N

N

D

D

S

T

R

K

F

Y

G

G

L

L

V

G

A

A

T

A

V

V

C

M

S

S

A

K

D

D

L

V

E

K

R

R

A

C

E

E

R

R

V

F

A

T

D

K

A

A

L

F

E

Q

V

T

G

G

H

I

V

I

W

W

I

I

N

N

S

C

V

S

Q

Q

A

P

V

T

F

F

V

N

E

E

T

L

S

P

W
|
W

G

G

T

K

K

K

G

R

S

S

G

G

I

F

G

G

R

R

E

D

L

L

G

G

P

K

W

W

G

G

L

L

S

E

A

N

Y

F

Q

L

S

N

I

I

K

K

H

Q

V

V

T

T

I31 (≠ N23) binding
D99 (≠ N89) binding
TPW 159:161 (≠ VPW 148:150) binding
KPSE 185:188 (= KPSE 174:177) binding
L189 (≠ V178) binding
GSGPT 238:242 (≠ GSNSV 226:230) binding
E260 (= E248) active site, Proton acceptor
L261 (= L249) binding
C295 (= C282) active site, Nucleophile
E394 (= E379) binding
W460 (= W445) binding

4i9bA Structure of aminoaldehyde dehydrogenase 1 from solanum lycopersium (slamadh1) with a thiohemiacetal intermediate (see paper)
45% identity, 98% coverage: 6:472/476 of query aligns to 9:482/496 of 4i9bA

query
sites
4i9bA

Y

Y

I

I

A

G

G

G

H

E

W

W

V

R

E

E

G

P

Q

V

G

K

S

K

D

N

C

R

I

I

S

P

V

I

N

I

D

N

P

P

A

A

L

T

G

E

Q

E

P

I

F

I

A

G

E

D

L

I

M

P

A

A

S

T

V

A

S

E

Q

D

V

V

D

D

Q

I

A

A

V

V

A

E

A

A

R

R

S

K

A

A

L

I

P

A

A

R

-

D

W

W

K

G

S

S

T

T

C

T

A

G

S

A

E

Q

R

R

A

A

A

K

F

Y

L

L

R

R

G

A

F

I

A

A

E

A

Q

K

L

V

G

L

Q

E

R

K

E

S

A

V

L

L

V

A

T

T

V

L

Q

E

M

S

R

L

N

D

N

S

G

G

K

K

P

T

R

L

H

Y

E

E

A

S

E

A

I

A

D

D

L

M

D

D

A

V

I

A

A

G

T

C

F

F

G

E

Y

Y

A

A

E

G

L

L

A

A

E

E

Q

A

L

L

P

D

S

S

K

R

N

R

R

M

T

T

-

P

V

V

P

N

L

L

A

N

A

S

P

D

G

S

F

Y

T

K

A

S

R

Y

T

V

R

L

L

R

E

E

P

P

V

L

G

G

V

V

G

G

L

L

I
|
I

V
x
T

P

P

W
|
W

N
|
N

F

Y

P

P

L

L

V

L

T

M

S

A

A

I

W

W

K

K

L

V

A

A

P

P

A

A

L

L

A

A

G

G

C

C

T

A

V

A

V

I

L

L

K
|
K

P

P

S
|
S

E
|
E

V

L

T

A

P

S

L

I

I

T

E

C

Q

L

A

E

Y

L

G

G

Q

E

I

I

A

C

D

R

A

E

L

I

G

G

L

L

P

P

A

S

G

G

V

A

L

L

N

N

I

I

V

L

N

T

G

G

K

L

A
x
G

-

P

E

E

T

A

G
|
G

A
x
G

A

P

L

L

S

A

N

S

H

H

N

P

G

H

L

V

D

D

K

K

L

I

S

S

F
|
F

T

T

G

G

S
|
S

N

G

S

P

V
x
T

G

G

S

S

Q

K

V
x
I

M

M

R

T

S

A

A

A

S

A

A

Q

Q

L

C

V

R

K

P

P

V

V

T

S

L

L

E
|
E

L

L

G

G

K

K

S

S

A

P

I

I

V

V

F

F

D

D

C

I

D

D

-

N

V

L

D

D

Q

I

A

A

V

A

E

E

W

W

I

T

V

L

A

F

G

G

I

I

S

F

W

A

N

N

A

T

G

G

Q

Q

M

V

C
|
C

S

S

A

A

T

T

S

S

R

R

L

L

L

I

V

V

Q

Q

D

E

G

N

I

I

A

A

D

S

A

A

L

F

L

M

P

D

R

R

L

L

Q

L

A

K

A

W

L

T

E

K

N

N

L

I

R

K

V

I

G

S

N

D

P

P

L

L

T

E

E

E

E

D

V

C

D

K

M

L

G

G

P

P

L

V

T

V

S

S

Q

A

A

G

Q

Q

W

Y

L

E

K

K

V

V

A

L

S

K

Y

F

F

I

A

S

T

N

A

A

R

K

E

S

E

E

G

G

L

A

Q

T

C

I

L

L

A

C

G

G

H

E

A

R

L

P

D

Q

-

H

-

L

R

K

E

K

G

G

W

Y

F

Y

V

V

S

Q

P

P

T

T

L

I

Y

I

T

T

D

D

V

V

P

N

K

T

D

S

S

M

R

E

L

I

W

W

T

K

E

E

E
|
E

I

V

F

F

G

G

P

P

V

V

L

L

C

C

A

V

R

K

R

T

F

F

A

K

T

T

E

E

Q

Q

A

A

I

I

A

E

E

L

A

A

N

N

D

D

S

T

R

K

F

Y

G

G

L

L

V

G

A

A

T

A

V

V

C

M

S

S

A

K

D

D

L

V

E

K

R

R

A

C

E

E

R

R

V

F

A

T

D

K

A

A

L

F

E

Q

V

T

G

G

H

I

V

I

W

W

I

I

N

N

S

C

V

S

Q

Q

A

P

V

T

F

F

V

N

E

E

T

L

S

P

W
|
W

G

G

T

K

K

K

G

R

S

S

G

G

I

F

G

G

R

R

E
x
D

L

L

G

G

P

K

W

W

G

G

L

L

S

E

A

N

Y

F

Q

L

S

N

I

I

K

K

H

Q

V

V

T

T

active site: N157 (= N151), K180 (= K174), E255 (= E248), C290 (= C282), E389 (= E379), D466 (≠ E456)
binding (2-hydroxyethoxy)acetaldehyde: C290 (= C282), W455 (= W445)
binding nicotinamide-adenine-dinucleotide: I153 (= I147), T154 (≠ V148), W156 (= W150), K180 (= K174), S182 (= S176), E183 (= E177), G213 (≠ A207), G217 (= G210), G218 (≠ A211), F231 (= F224), S234 (= S227), T237 (≠ V230), I241 (≠ V234)

3iwjA Crystal structure of aminoaldehyde dehydrogenase 2 from pisum sativum (psamadh2) (see paper)
43% identity, 100% coverage: 2:475/476 of query aligns to 4:486/500 of 3iwjA

query
sites
3iwjA

T

T

T

R

S

Q

H

L

Y

F

I

I

A

N

G

G

H

D

W

W

V

K

E

A

G

P

Q

V

G

L

S

N

D

K

C

R

I

I

S

P

V

V

N

I

D

N

P

P

A

A

L

T

G

Q

Q

N

P

I

F

I

A

G

E

D

L

I

M

P

A

A

S

T

V

K

S

E

Q

D

V

V

D

D

Q

V

A

A

V

V

A

A

R

K

S

T

A

A

L

L

P

T

A

R

-

N

-

K

-

G

-

A

-

D

W

W

K

A

S

T

T

A

C

S

A

G

S

A

E

V

R

R

A

A

A

R

F

Y

L

L

R

R

G

A

F

I

A

A

E

A

Q

K

L

V

G

T

Q

E

R

K

E

P

A

E

L

L

V

A

T

K

V

L

Q

E

M

S

R

I

N

D

N

C

G

G

K

K

P

P

R

L

H

D

E

E

A

A

E

A

I

W

D

D

L

I

D

D

D
|
D

A

V

I

A

A

G

T

C

F

F

G

E

Y

Y

A

A

E

D

L

L

A

A

E

E

Q

K

L

L

P

D

S

A

K

R

N

Q

R

K

T

A

-

P

V

V

P

S

L

L

A

P

A

M

P

D

G

T

F

F

T

K

A

S

R

H

T

V

R

L

L

R

E

E

P

P

V

I

G

G

V

V

G

G

L

L

I
|
I

V
x
T

P

P

W
|
W

N
|
N

F
x
Y

P

P

L

M

V

L

T

M

S

A

A

T

W
|
W

K

K

L

V

A

A

P

P

A

A

L

L

A

A

G

G

C

C

T

A

V

A

V

I

L

L

K
|
K

P

P

S
|
S

E
|
E

V

L

T

A

P

S

L

L

I

T

E

C

Q

L

A

E

Y

L

G

G

Q

E

I

I

A

C

D

K

A

E

L

V

G

G

L

L

P

P

A

P

G

G

V

V

L

L

N

N

I

I

V

L

N

T

G

G

K

L

A
x
G

-

P

E

E

T

A

G

G

A
|
A

A

P

L

L

S

A

N

T

H

H

N

P

G

D

L

V

D

D

K

K

L

V

S

A

F
|
F

T

T

G
|
G

S
|
S

N

S

S

A

V
x
T

G

G

S

S

Q

K

V
x
I

M

M

R

T

S

A

A

A

S

A

A

Q

Q

L

C

V

R

K

P

P

V

V

T

S

L

L

E
|
E

L

L

G

G

K

K

S

S

A

P

I

L

V

V

F

F

D

E

D

D

C

V

D

D

V

L

D

D

Q

K

A

A

V

A

E

E

W

W

I

A

V

I

A

F

G

G

I

C

S

F

W

W

N

T

A

N

G

G

Q

Q

M
x
I

C
|
C

S

S

A

A

T

T

S

S

R

R

L

L

L

I

V

L

Q

H

D

E

G

S

I

I

A

A

D

T

A

E

L

F

L

L

P

N

R

R

L

I

Q

V

A

K

A

W

L

I

E

K

N

N

L

I

R

K

V

I

G

S

N

D

P

P

L

L

T

E

E

E

E

G

V

C

D

R

M

L

G

G

P

P

L

V

T

V

S

S

Q

E

A

G

Q

Q

W

Y

L

E

K

K

V

I

A

L

S

K

Y

F

F

V

A

S

T

N

A

A

R

K

E

S

E

E

G

G

L

A

Q

T

C

I

L

L

A

T

G

G

H

S

A

R

L

P

D

E

-

H

-

L

R

K

E

K

G

G

W

F

F

F

V

I

S

E

P

P

T

T

L

I

Y

I

T

T

D

D

V

V

P

T

K

T

D

N

S

M

R

Q

L

I

W

W

T

R

E

E

E
|
E

I

V

F

F

G

G

P

P

V

V

L

L

C

C

A

V

R

K

R

T

F

F

A

S

T

T

E

E

Q

E

A

A

I

I

A

D

E

L

A

A

N

N

D

D

S

T

R

V

F

Y

G

G

L

L

V

G

A

A

T

A

V

V

C

I

S

S

A

N

D

D

L

L

E

E

R

R

A

C

E

E

R

R

V

V

A

T

D

K

A

A

L

F

E

K

V

A

G

G

H

I

V

V

W

W

I

V

N

N

S

C

V

S

Q

Q

A

P

V
x
C

F

F

V

T

E

Q

T

A

S

P

W
|
W

G

G

T

V

K

K

G

R

S

S

G

G

I

F

G

G

R

R

E
|
E

L

L

G

G

P

E

W

W

G

G

L

L

S

D

A

N

Y

Y

Q

L

S

S

I

V

K

K

H

Q

V

V

T

T

R

Q

C

Y

L

I

active site: N159 (= N151), K182 (= K174), E257 (= E248), C291 (= C282), E390 (= E379), E467 (= E456)
binding glycerol: D110 (= D103), Y160 (≠ F152), W167 (= W159), I290 (≠ M281), C291 (= C282), C450 (≠ V439), W456 (= W445)
binding nicotinamide-adenine-dinucleotide: I155 (= I147), T156 (≠ V148), W158 (= W150), K182 (= K174), S184 (= S176), E185 (= E177), G215 (≠ A207), A220 (= A211), F233 (= F224), G235 (= G226), S236 (= S227), T239 (≠ V230), I243 (≠ V234)

Q93YB2 Aminoaldehyde dehydrogenase 2, peroxisomal; PsAMADH2; Aminobutyraldehyde dehydrogenase AMADH2; Gamma-guanidinobutyraldehyde dehydrogenase AMADH2; EC 1.2.1.-; EC 1.2.1.19; EC 1.2.1.54 from Pisum sativum (Garden pea) (Lathyrus oleraceus) (see paper)
43% identity, 100% coverage: 2:475/476 of query aligns to 7:489/503 of Q93YB2

query
sites
Q93YB2

T

T

T

R

S

Q

H

L

Y

F

I

I

A

N

G

G

H

D

W

W

V

K

E

A

G

P

Q

V

G

L

S

N

D

K

C

R

I

I

S

P

V

V

N
x
I

D

N

P

P

A

A

L

T

G

Q

Q

N

P

I

F

I

A

G

E

D

L

I

M

P

A

A

S

T

V

K

S

E

Q

D

V

V

D

D

Q

V

A

A

V

V

A

A

R

K

S

T

A

A

L

L

P

T

A

R

-

N

-

K

-

G

-

A

-

D

W

W

K

A

S

T

T

A

C

S

A

G

S

A

E

V

R

R

A

A

A

R

F

Y

L

L

R

R

G

A

F

I

A

A

E

A

Q

K

L

V

G

T

Q

E

R

K

E

P

A

E

L

L

V

A

T

K

V

L

Q

E

M

S

R

I

N
x
D

N

C

G

G

K

K

P

P

R

L

H

D

E

E

A

A

E

A

I

W

D

D

L

I

D

D

A

V

I

A

A

G

T

C

F

F

G

E

Y

Y

A

A

E

D

L

L

A

A

E

E

Q

K

L

L

P

D

S

A

K

R

N

Q

R

K

T

A

-

P

V

V

P

S

L

L

A

P

A

M

P

D

G

T

F

F

T

K

A

S

R

H

T

V

R

L

L

R

E

E

P

P

V

I

G

G

V

V

G

G

L

L

I

I

V

T

P

P

W
|
W

N

N

F

Y

P

P

L

M

V

L

T

M

S

A

A

T

W

W

K

K

L

V

A

A

P

P

A

A

L

L

A

A

G

G

C

C

T

A

V

A

V

I

L

L

K
|
K

P

P

S

S

E

E

V
x
L

T

A

P

S

L

L

I

T

E

C

Q

L

A

E

Y

L

G

G

Q

E

I

I

A

C

D

K

A

E

L

V

G

G

L

L

P

P

A

P

G

G

V

V

L

L

N

N

I

I

V

L

N

T

G

G

K

L

A

G

-

P

E

E

T

A

G

G

A

A

A

P

L

L

S

A

N

T

H

H

N

P

G

D

L

V

D

D

K

K

L

V

S

A

F

F

T

T

G

G

S
|
S

N

S

S

A

V

T

G

G

S

S

Q

K

V

I

M

M

R

T

S

A

A

A

S

A

A

Q

Q

L

C

V

R

K

P

P

V

V

T

S

L

L

E

E

L

L

G

G

K

K

S

S

A

P

I

L

V

V

F

F

D

E

D

D

C

V

D

D

V

L

D

D

Q

K

A

A

V

A

E

E

W

W

I

A

V

I

A

F

G

G

I

C

S

F

W

W

N

T

A

N

G

G

Q

Q

M

I

C

C

S

S

A

A

T

T

S

S

R

R

L

L

L

I

V

L

Q

H

D

E

G

S

I

I

A

A

D

T

A

E

L

F

L

L

P

N

R

R

L

I

Q

V

A

K

A

W

L

I

E

K

N

N

L

I

R

K

V

I

G

S

N

D

P

P

L

L

T

E

E

E

E

G

V

C

D

R

M

L

G

G

P

P

L

V

T

V

S

S

Q

E

A

G

Q

Q

W

Y

L

E

K

K

V

I

A

L

S

K

Y

F

F

V

A

S

T

N

A

A

R

K

E

S

E

E

G

G

L

A

Q

T

C

I

L

L

A

T

G

G

H

S

A

R

L

P

D

E

-

H

-

L

R

K

E

K

G

G

W

F

F

F

V

I

S

E

P

P

T

T

L

I

Y

I

T

T

D

D

V

V

P

T

K

T

D

N

S

M

R

Q

L

I

W

W

T

R

E

E

I

V

F

F

G

G

P

P

V

V

L

L

C

C

A

V

R

K

R

T

F

F

A

S

T

T

E

E

Q

E

A

A

I

I

A

D

E

L

A

A

N

N

D

D

S

T

R

V

F

Y

G

G

L

L

V

G

A

A

T

A

V

V

C

I

S

S

A

N

D

D

L

L

E

E

R

R

A

C

E

E

R

R

V

V

A

T

D

K

A

A

L

F

E

K

V

A

G

G

H

I

V

V

W

W

I

V

N

N

S

C

V

S

Q

Q

A

P

V

C

F

F

V

T

E

Q

T

A

S

P

W

W

G

G

T

V

K

K

G

R

S

S

G

G

I

F

G

G

R

R

E

E

L

L

G

G

P

E

W

W

G

G

L

L

S

D

A

N

Y

Y

Q

L

S

S

I

V

K

K

H

Q

V

V

T

T

R

Q

C

Y

L

I

I28 (≠ N23) binding
D99 (≠ N89) binding
W161 (= W150) binding
K185 (= K174) binding
L189 (≠ V178) binding
S239 (= S227) binding

Q8VWZ1 Aminoaldehyde dehydrogenase 1, peroxisomal; PsAMADH1; Aminobutyraldehyde dehydrogenase AMADH1; Gamma-guanidinobutyraldehyde dehydrogenase AMADH1; EC 1.2.1.-; EC 1.2.1.19; EC 1.2.1.54 from Pisum sativum (Garden pea) (Lathyrus oleraceus) (see paper)
45% identity, 98% coverage: 6:473/476 of query aligns to 11:487/503 of Q8VWZ1

query
sites
Q8VWZ1

Y

F

I

I

A

D

G

G

H

E

W

W

V

R

E

V

G

P

Q

I

G

L

S

N

D

K

C

R

I

I

S

P

V
x
N

N
x
I

D

N

P

P

A

S

L

T

G

E

Q

N

P

I

F

I

A

G

E

D

L

I

M

P

A

A

S

T

V

K

S

E

Q

D

V

V

D

D

Q

L

A

A

V

V

A

D

A

A

R

K

S

R

A

A

L

I

P

S

A

R

-

K

-

N

-

G

-

R

-

D

W

W

K

S

S

A

T

A

C

S

A

G

S

S

E

L

R

R

A

A

A

R

F

Y

L

L

R

R

G

A

F

I

A

A

E

A

Q

K

L

I

G

K

Q

E

R

K

E

D

A

E

L

L

V

G

T

K

V

L

Q

E

M

S

R

I

N
x
D

N

C

G

G

K

K

P

P

R

L

H

E

E

E

A

A

E

L

I

A

D

D

L

L

D

D

A

V

I

V

A

A

T

C

F

F

G

E

Y

Y

A

A

E

G

L

L

A

A

E

E

Q

E

L

L

P

D

S

S

K

K

N

Q

R

K

T

A

V

-

P

P

L

I

A

S

A

L

P

P

G

M

F

D

T

T

A

F

R

K

T

S

R

Y

L

I

-

L

-

K

E

E

P

P

V

I

G

G

V

V

G

A

L

L

I

I

V

T

P

P

W

W

N

N

F

Y

P

P

L

F

V

L

T

M

S

A

A

T

W

W

K

K

L

I

A

A

P

P

A

A

L

L

A

A

G

G

C

C

T

A

V

A

V

I

L

L

K

K

P

P

S

S

E

E

V
x
L

T

A

P

S

L

V

I

T

E

C

Q

L

A

E

Y

L

G

G

Q

E

I

I

A

C

D

K

A

E

L

V

G

G

L

L

P

P

A

R

G

G

V

V

L

L

N

N

I

I

V

V

N

T

G

G

K

L

A

G

-

H

E

E

T

A

G

G

A

A

A

S

L

L

S

A

N

S

H

H

N

P

G

D

L

V

D

D

K

K

L

I

S

S

F

F

T

T

G
|
G

S
|
S

N
x
S

S
x
A

V
x
T

G
|
G

S
|
S

Q
x
K

V

I

M

M

R

T

S

T

A

A

S

A

A

Q

Q

L

C

V

R

K

P

P

V

V

T

S

L

L

E

E

L

L

G

G

K

K

S

S

A

P

I

I

V

V

F

F

D

E

D

D

C

V

D

D

V

L

D

D

Q

K

A

V

V

A

E

E

W

W

I

T

V

V

A

F

G

G

I

C

S

F

W

F

N

T

A

N

G

G

Q

Q

M

I

C
|
C

S

S

A

A

T

T

S

S

R

R

L

L

L

I

V

V

Q

H

D

E

G

S

I

I

A

A

D

V

A

E

L

F

L

V

P

D

R

K

L

L

Q

V

A

K

A

W

L

A

E

E

N

N

L

I

R

K

V

I

G

S

N

D

P

P

L

L

T

E

E

E

E

G

V

C

D

R

M

L

G

G

P

P

L

I

T

V

S

S

Q

E

A

A

Q

Q

W

Y

L

K

K

K

V

V

A

L

S

N

Y

C

F

I

A

S

T

S

A

A

R

K

E

S

E

E

G

G

L

A

Q

T

C

I

L

L

A

T

G

G

H

R

A

R

L

P

D

E

-

H

-

L

R

K

E

K

G

G

W

Y

F

F

V

V

S

E

P

P

T

T

L

I

Y

I

T

T

D

D

V

V

P

T

K

T

D

S

S

M

R

Q

L

I

W

W

T

R

E

E

E
|
E

I

V

F

F

G

G

P

P

V

V

L

L

C

A

A

V

R

K

R

T

F

F

A

S

T

T

E

E

Q

E

A

A

I

I

A

N

E

L

A

A

N

N

D

D

S

T

R

H

F

Y

G

G

L

L

V

G

A

S

T

A

V

V

C

M

S

S

A

N

D

D

L

L

E

E

R

R

A

C

E

E

R

R

V

L

A

S

D

K

A

A

L

L

E

Q

V

A

G

G

H

I

V

V

W

W

I

I

N

N

S

C

V

A

Q

Q

A

P

V

S

F

F

V

I

E

Q

T

A

S

P

W

W

G

G

T

I

K

K

G

R

S

S

G

G

I

F

G

G

R

R

E

E

L

L

G

G

P

E

W

W

G

G

L

L

S

E

A

N

Y

Y

Q

L

S

S

I

V

K

K

H

Q

V

V

T

T

R

R

N27 (≠ V22) binding
I28 (≠ N23) binding
D99 (≠ N89) binding
L189 (≠ V178) binding
238:245 (vs. 226:233, 50% identical) binding
C294 (= C282) binding
E393 (= E379) binding

3iwkH Crystal structure of aminoaldehyde dehydrogenase 1 from pisum sativum (psamadh1) (see paper)
45% identity, 98% coverage: 6:473/476 of query aligns to 6:482/497 of 3iwkH

query
sites
3iwkH

Y

F

I

I

A

D

G

G

H

E

W

W

V

R

E

V

G

P

Q

I

G

L

S

N

D

K

C

R

I

I

S

P

V

N

N

I

D

N

P

P

A

S

L

T

G

E

Q

N

P

I

F

I

A

G

E

D

L

I

M

P

A

A

S

T

V

K

S

E

Q

D

V

V

D

D

Q

L

A

A

V

V

A

D

A

A

R

K

S

R

A

A

L

I

P

S

A

R

-

K

-

N

-

G

-

R

-

D

W

W

K

S

S

A

T

A

C

S

A

G

S

S

E

L

R

R

A

A

A

R

F

Y

L

L

R

R

G

A

F

I

A

A

E

A

Q

K

L

I

G

K

Q

E

R

K

E

D

A

E

L

L

V

G

T

K

V

L

Q

E

M

S

R

I

N

D

N

C

G

G

K

K

P

P

R

L

H

E

E

E

A

A

E

L

I

A

D

D

L

L

D

D

A

V

I

V

A

A

T

C

F

F

G

E

Y

Y

A

A

E

G

L

L

A

A

E

E

Q

E

L

L

P

D

S

S

K

K

N

Q

R

K

T

A

V

-

P

P

L

I

A

S

A

L

P

P

G

M

F

D

T

T

A

F

R

K

T

S

R

Y

L

I

-

L

-

K

E

E

P

P

V

I

G

G

V

V

G

A

L

L

I

I

V

T

P

P

W
|
W

N
|
N

F

Y

P

P

L

F

V

L

T

M

S

A

A

T

W

W

K

K

L

I

A

A

P

P

A

A

L

L

A

A

G

G

C

C

T

A

V

A

V

I

L

L

K
|
K

P

P

S

S

E

E

V

L

T

A

P

S

L

V

I

T

E

C

Q

L

A

E

Y

L

G

G

Q

E

I

I

A

C

D

K

A

E

L

V

G

G

L

L

P

P

A

R

G

G

V

V

L

L

N

N

I

I

V

V

N

T

G

G

K

L

A
x
G

-

H

E

E

T

A

G
|
G

A
|
A

A

S

L

L

S

A

N

S

H

H

N

P

G

D

L

V

D

D

K

K

L

I

S

S

F

F

T

T

G
|
G

S
|
S

N

S

S

A

V
x
T

G

G

S

S

Q
x
K

V

I

M

M

R

T

S

T

A

A

S

A

A

Q

Q

L

C

V

R

K

P

P

V

V

T

S

L

L

E
|
E

L

L

G

G

K

K

S

S

A

P

I

I

V

V

F

F

D

E

D

D

C

V

D

D

V

L

D

D

Q

K

A

V

V

A

E

E

W

W

I

T

V

V

A

F

G

G

I

C

S

F

W

F

N

T

A

N

G

G

Q

Q

M

I

C
|
C

S

S

A

A

T

T

S

S

R

R

L

L

L

I

V

V

Q

H

D

E

G

S

I

I

A

A

D

V

A

E

L

F

L

V

P

D

R

K

L

L

Q

V

A

K

A

W

L

A

E

E

N

N

L

I

R

K

V

I

G

S

N

D

P

P

L

L

T

E

E

E

E

G

V

C

D

R

M

L

G

G

P

P

L

I

T

V

S

S

Q

E

A

A

Q
|
Q

W

Y

L

K

K

K

V

V

A

L

S

N

Y

C

F

I

A

S

T

S

A

A

R

K

E

S

E

E

G

G

L

A

Q

T

C

I

L

L

A

T

G

G

H

R

A

R

L

P

D

E

-

H

-

L

R

K

E

K

G

G

W

Y

F

F

V

V

S

E

P

P

T

T

L

I

Y

I

T

T

D

D

V

V

P

T

K

T

D

S

S

M

R

Q

L

I

W

W

T

R

E

E

E
|
E

I

V

F
|
F

G

G

P

P

V

V

L

L

C

A

A

V

R

K

R

T

F

F

A

S

T

T

E

E

Q

E

A

A

I

I

A

N

E

L

A

A

N

N

D

D

S

T

R

H

F

Y

G

G

L

L

V

G

A

S

T

A

V

V

C

M

S

S

A

N

D

D

L

L

E

E

R

R

A

C

E

E

R

R

V

L

A

S

D

K

A

A

L

L

E

Q

V

A

G

G

H

I

V

V

W

W

I

I

N

N

S

C

V

A

Q

Q

A

P

V

S

F

F

V

I

E

Q

T

A

S

P

W

W

G

G

T

I

K

K

G

R

S

S

G

G

I

F

G

G

R

R

E
|
E

L

L

G

G

P

E

W

W

G

G

L

L

S

E

A

N

Y

Y

Q

L

S

S

I

V

K

K

H

Q

V

V

T

T

R

R

active site: N157 (= N151), K180 (= K174), E255 (= E248), C289 (= C282), E388 (= E379), E465 (= E456)
binding nicotinamide-adenine-dinucleotide: W156 (= W150), G213 (≠ A207), G217 (= G210), A218 (= A211), G233 (= G226), S234 (= S227), T237 (≠ V230), K240 (≠ Q233), C289 (= C282), Q336 (= Q329), E388 (= E379), F390 (= F381)

Q84LK3 Betaine aldehyde dehydrogenase 2; OsBADH2; EC 1.2.1.8 from Oryza sativa subsp. japonica (Rice) (see paper)
44% identity, 98% coverage: 6:472/476 of query aligns to 11:486/503 of Q84LK3

query
sites
Q84LK3

Y

F

I

V

A

A

G

G

H

E

W

W

V

R

E

A

G

P

Q

A

G

L

S

G

D

R

C

R

I

L

S

P

V

V

N

V

D

N

P

P

A

A

L

T

G

E

Q

S

P

P

F

I

A

G

E

E

L

I

M

P

A

A

A

G

S

T

V

A

S

E

Q

D

V

V

D

D

Q

A

A

A

V

V

A

A

R

R

S

E

A

A

L

L

P

K

A

R

-

N

-

R

-

G

-

R

-

D

W

W

K

A

S

R

T

A

C

P

A

G

S

A

E

V

R

R

A

A

A

K

F

Y

L

L

R

R

G

A

F

I

A

A

E

A

Q

K

L

I

G

I

Q

E

R

R

R

K

E

S

A

E

L

L

V

A

T

R

V

L

Q

E

M

T

R

L

N

D

N

C

G

G

K

K

P

P

R

L

H

D

E

E

A

A

E

A

I

W

D

D

L

M

D

D

A

V

I

A

A

G

T

C

F

F

G

E

Y

Y

Y

F

A

A

E

D

L

L

A

A

E

E

Q

S

L

L

P

-

S

D

K

K

N

R

R

Q

T

N

V

A

P

P

L

V

A

S

A

L

P

P

-

M

-

E

G

N

F

F

T

K

A

C

R

Y

T

L

R

R

L

K

E

E

P

P

V

I

G

G

V

V

G

G

L

L

I

I

V

T

P

P

W

W

N
|
N

F

Y

P

P

L

L

V

L

T

M

S

A

A

T

W
|
W

K

K

L

V

A

A

P

P

A

A

L

L

A

A

G

G

C

C

T

T

V

A

V

V

L

L

K

K

P

P

S

S

E

E

V

L

T

A

P

S

L

V

I

T

E

C

Q

L

A

E

Y

L

G

A

Q

D

I

V

A

C

D

K

A

E

L

V

G

G

L

L

P

P

A

S

G

G

V

V

L

L

N

N

I

I

V

V

N

T

G

G

-

L

K

G

A

S

E

E

T

A

G

G

A

A

A

P

L

L

S

S

N

S

H

H

N

P

G

G

L

V

D

D

K

K

L

V

S

A

F

F

T

T

G

G

S

S

N

Y

S

E

V

T

G

G

S

K

Q

K

V

I

M

M

R

A

S

S

A

A

S

A

A

P

Q

M

C

V

R

K

P

P

V

V

T

S

L

L

E

E

L

L

G

G

K

K

S

S

A

P

I

I

V

V

F

F

D

D

C

V

D

D

V

V

D

E

Q

K

A

A

V

V

E

E

W

W

I

T

V

L

A

F

G

G

I

C

S

F

W

W

N

T

A

N

G

G

Q

Q

M

I

C

C

S

S

A

A

T

T

S

S

R

R

L

L

L

I

V

L

Q

H

D

K

G

K

I

I

A

A

D

K

A

E

L

F

L

Q

P

E

R

R

L

M

Q

V

A

A

A

W

L

A

E

K

N

N

L

I

R

K

V

V

G

S

N

D

P

P

L

L

T

E

E

E

E

G

V

C

D

R

M

L

G

G

P

P

L

V

T

V

S

S

Q

E

A

G

Q

Q

W

Y

L

E

K

K

V

I

A

K

S

Q

Y

F

F

V

A

S

T

T

A

A

R

K

E

S

E

Q

G

G

L

A

Q

T

C

I

L

L

A

T

G

G

-

V

-

R

-

P

H

K

A

H

L

L

D

E

R

K

E

-

G

G

W

F

F

Y

V

I

S

E

P

P

T

T

L

I

Y

I

T

T

D

D

V

V

P

D

K

T

D

S

S

M

R

Q

L

I

W

W

T

R

E

E

I

V

F

F

G

G

P

P

V

V

L

L

C

C

A

V

R

K

R

E

F

F

A

S

T

T

E

E

Q

E

A

A

I

I

A

E

E

L

A

A

N

N

D

D

S

T

R

H

F

Y

G

G

L

L

V

A

A

G

T

A

V

V

C

L

S

S

A

G

D

D

L

R

E

E

R

R

A

C

E

Q

R

R

V

L

A

T

D

E

A

E

L

I

E

D

V

A

G

G

H

I

V

I

W

W

I

V

N

N

S

C

V

S

Q

Q

A

P

V

C

F

F

V

C

E

Q

T

A

S

P

W

W

G

G

T

N

K

K

G

R

S

S

G

G

I

F

G

G

R

R

E

E

L

L

G

G

P

E

W

G

G

G

L

I

S

D

A

N

Y

Y

Q

L

S

S

I

V

K

K

H

Q

V

V

T

T

N162 (= N151) mutation to A: Slightly reduced affinity for NAD, 4-fold enhanced affinity for betaine aldehyde (Bet-ald), but 3-fold reduction in gamma-4-aminobutyraldehyde (GAB-ald) affinity and reduced catalytic efficiency (2-fold for Bet-ald and 8-fold for GAB-ald).
W170 (= W159) mutation to A: Slightly reduced affinity for NAD, 4-fold enhanced affinity for betaine aldehyde (Bet-ald), but 2-fold reduction in gamma-4-aminobutyraldehyde (GAB-ald) affinity and reduced catalytic efficiency (2.5-fold for Bet-ald and 6-fold for GAB-ald).; mutation to F: Slightly reduced affinity for NAD, 5-fold enhanced affinity for betaine aldehyde (Bet-ald), but 3-fold reduction in gamma-4-aminobutyraldehyde (GAB-ald) affinity and 1.5-fold increase in catalytic efficiency towards gamma-aminobutyraldehyde (GAB-ald).

C0P9J6 Aminoaldehyde dehydrogenase 1a; ZmAMADH1a; 4-trimethylammoniobutyraldehyde dehydrogenase AMADH1a; Aminobutyraldehyde dehydrogenase AMADH1a; Betaine aldehyde dehydrogenase AMADH1a; Gamma-guanidinobutyraldehyde dehydrogenase AMADH1a; EC 1.2.1.-; EC 1.2.1.47; EC 1.2.1.19; EC 1.2.1.8; EC 1.2.1.54 from Zea mays (Maize) (see paper)
45% identity, 88% coverage: 56:472/476 of query aligns to 68:488/505 of C0P9J6

query
sites
C0P9J6

W

W

K

A

S

R

T

A

C

P

A

G

S

A

E

V

R

R

A

A

A

K

F

Y

L

L

R

R

G

A

F

I

A

A

E

A

Q

K

L

V

G

I

Q

E

R

R

R

K

E

P

A

E

L

L

V

A

T

K

V

L

Q

E

M

A

R

L

N
x
D

N

C

G

G

K

K

P

P

R

Y

H

D

E

E

A

A

E

A

I

W

D

D

L

M

D

D

A

V

I

A

A

G

T

C

F

F

G

E

Y

Y

Y

F

A

A

E

D

L

Q

A

A

E

E

Q

A

L

L

P

D

S

K

K

R

-

Q

N

N

R

S

T

P

V

V

P

S

L

L

A

P

A

M

P

E

G

T

F

F

T

K

A

C

R

H

T

L

R

R

L

R

E

E

P

P

V

I

G

G

V

V

G

G

L

L

I

I

V
x
T

P
|
P

W
|
W

N

N

F

Y

P

P

L

L

V

L

T

M

S

A

A

T

W

W

K

K

L

I

A

A

P

P

A

A

L

L

A

A

G

G

C

C

T

T

V

A

V

V

L

L

K
|
K

P
|
P

S
|
S

E
|
E

V
x
L

T

A

P

S

L

V

I

T

E

C

Q

L

A

E

Y

L

G

A

Q

D

I

I

A

C

D

K

A

E

L

V

G

G

L

L

P

P

A

S

G

G

V

V

L

L

N

N

I

I

V

V

N

T

G

G

-

L

K

G

A

P

E

D

T

A

G

G

A

A

A

P

L

L

S

S

N

A

H

H

N

P

G

D

L

V

D

D

K

K

L

V

S

A

F

F

T

T

G

G

S
|
S

N
x
F

S
x
E

V
x
T

G

G

S

K

Q

K

V

I

M

M

R

A

S

S

A

A

S

A

A

P

Q

M

C

V

R

K

P

P

V

V

T

T

L

L

E
|
E

L

L

G

G

K

K

S

S

A

P

I

I

V

V

F

F

D

D

C

V

D

D

V

I

D

D

Q

K

A

A

V

V

E

E

W

W

I

T

V

L

A

F

G

G

I

C

S

F

W

W

N

T

A

N

G

G

Q

Q

M

I

C

C

S

S

A

A

T

T

S

S

R

R

L

L

V

I

Q

H

D

T

G

K

I

I

A

A

D

K

A

K

L

F

L

N

P

E

R

R

L

M

Q

V

A

A

A

W

L

A

E

K

N

N

L

I

R

K

V

V

G

S

N

D

P

P

L

L

T

E

E

E

E

G

V

C

D

R

M

L

G

G

P

P

L

V

T

V

S

S

Q

E

A

G

Q

Q

W

Y

L

E

K

K

V

I

A

K

S

K

Y

F

F

I

A

S

T

N

A

A

R

K

E

S

E

Q

G

G

L

A

Q

T

C

I

L

L

A

T

G

G

-

V

-

R

H

P

A

A

L

H

D

L

R

E

E

K

G

G

W

F

F

F

V

I

S

E

P

P

T

T

L

I

Y

I

T

T

D

D

V

I

P

T

K

T

D

S

S

M

R

E

L

I

W

W

T

R

E

E

E
|
E

I

V

F

F

G

G

P

P

V

V

L

L

C

C

A

V

R

K

R

E

F

F

A

S

T

T

E

E

E

D

Q

E

A

A

I

I

A

E

E

L

A

A

N

N

D

D

S

T

R

Q

F

Y

G

G

L

L

V

A

A

G

T

A

V

V

C

I

S

S

A

G

D

D

L

R

E

E

R

R

A

C

E

Q

R

R

V

L

A

S

D

E

A

E

L

I

E

D

V

A

G

G

H

C

V

I

W

W

I

V

N

N

S

C

V

S

Q

Q

A

P

V

C

F

F

V

C

E

Q

T

A

S

P

W
|
W

G

G

T

N

K

K

G

R

S

S

G

G

I

F

G

G

R

R

E

E

L

L

G

G

P

E

W

G

G

G

L

I

S

D

A

N

Y

Y

Q

L

S

S

I

V

K

K

H

Q

V

V

T

T

D101 (≠ N89) binding
TPW 161:163 (≠ VPW 148:150) binding
KPSE 187:190 (= KPSE 174:177) binding
L191 (≠ V178) binding
SFET 241:244 (≠ SNSV 227:230) binding
E262 (= E248) binding
E395 (= E379) binding
W461 (= W445) binding

4i8pA Crystal structure of aminoaldehyde dehydrogenase 1a from zea mays (zmamadh1a) (see paper)
45% identity, 88% coverage: 56:472/476 of query aligns to 63:483/500 of 4i8pA

query
sites
4i8pA

W

W

K

A

S

R

T

A

C

P

A

G

S

A

E

V

R

R

A

A

A

K

F

Y

L

L

R

R

G

A

F

I

A

A

E

A

Q

K

L

V

G

I

Q

E

R

R

R

K

E

P

A

E

L

L

V

A

T

K

V

L

Q

E

M

A

R

L

N

D

N

C

G

G

K

K

P

P

R

Y

H

D

E

E

A

A

E

A

I

W

D

D

L

M

D

D

A

V

I

A

A

G

T

C

F

F

G

E

Y

Y

Y

F

A

A

E

D

L

Q

A

A

E

E

Q

A

L

L

P

D

S

K

K

R

-

Q

N

N

R

S

T

P

V

V

P

S

L

L

A

P

A

M

P

E

G

T

F

F

T

K

A

C

R

H

T

L

R

R

L

R

E

E

P

P

V

I

G

G

V

V

G

G

L

L

I
|
I

V
x
T

P
|
P

W
|
W

N
|
N

F

Y

P

P

L

L

V

L

T
x
M

S

A

A

T

W

W

K

K

L

I

A

A

P

P

A

A

L

L

A

A

G

G

C

C

T

T

V

A

V

V

L

L

K
|
K

P

P

S
|
S

E
|
E

V

L

T

A

P

S

L

V

I

T

E

C

Q

L

A

E

Y

L

G

A

Q

D

I

I

A

C

D

K

A

E

L

V

G

G

L

L

P

P

A

S

G

G

V

V

L

L

N

N

I

I

V

V

N

T

G

G

-

L

K
x
G

A

P

E

D

T

A

G
|
G

A
|
A

A

P

L

L

S

S

N

A

H

H

N

P

G

D

L

V

D

D

K

K

L

V

S

A

F

F

T
|
T

G
|
G

S
|
S

N

F

S

E

V
x
T

G

G

S

K

Q

K

V

I

M

M

R

A

S

S

A

A

S

A

A

P

Q

M

C

V

R

K

P

P

V

V

T

T

L

L

E
|
E

L
|
L

G

G

K

K

S

S

A

P

I

I

V

V

F

F

D

D

C

V

D

D

V

I

D

D

Q

K

A

A

V

V

E

E

W

W

I

T

V

L

A

F

G

G

I

C

S

F

W

W

N

T

A

N

G

G

Q

Q

M

I

C
|
C

S

S

A

A

T

T

S

S

R

R

L

L

V

I

Q

H

D

T

G

K

I

I

A

A

D

K

A

K

L

F

L

N

P

E

R

R

L

M

Q

V

A

A

A

W

L

A

E

K

N

N

L

I

R

K

V

V

G

S

N

D

P

P

L

L

T

E

E

E

E

G

V

C

D

R

M

L

G

G

P

P

L

V

T

V

S

S

Q

E

A

G

Q

Q

W

Y

L

E

K

K

V

I

A

K

S

K

Y

F

F

I

A

S

T

N

A

A

R

K

E

S

E

Q

G

G

L

A

Q

T

C

I

L

L

A

T

G

G

-

V

-

R

H

P

A

A

L

H

D

L

R

E

E

K

G

G

W

F

F

F

V

I

S

E

P

P

T

T

L

I

Y

I

T

T

D

D

V

I

P

T

K

T

D

S

S

M

R

E

L

I

W

W

T

R

E

E

E
|
E

I

V

F
|
F

G

G

P

P

V

V

L

L

C

C

A

V

R

K

R

E

F

F

A

S

T

T

E

E

E

D

Q

E

A

A

I

I

A

E

E

L

A

A

N

N

D

D

S

T

R

Q

F

Y

G

G

L

L

V

A

A

G

T

A

V

V

C

I

S

S

A

G

D

D

L

R

E

E

R

R

A

C

E

Q

R

R

V

L

A

S

D

E

A

E

L

I

E

D

V

A

G

G

H

C

V

I

W

W

I

V

N

N

S

C

V

S

Q

Q

A

P

V

C

F

F

V

C

E

Q

T

A

S

P

W
|
W

G

G

T

N

K

K

G

R

S

S

G

G

I

F

G

G

R

R

E
|
E

L

L

G

G

P

E

W

G

G

G

L

I

S

D

A

N

Y

Y

Q

L

S

S

I

V

K

K

H

Q

V

V

T

T

active site: N159 (= N151), K182 (= K174), E257 (= E248), C291 (= C282), E390 (= E379), E467 (= E456)
binding nicotinamide-adenine-dinucleotide: I155 (= I147), T156 (≠ V148), P157 (= P149), W158 (= W150), N159 (= N151), M164 (≠ T156), K182 (= K174), S184 (= S176), E185 (= E177), G215 (≠ K206), G219 (= G210), A220 (= A211), T234 (= T225), G235 (= G226), S236 (= S227), T239 (≠ V230), E257 (= E248), L258 (= L249), C291 (= C282), E390 (= E379), F392 (= F381), W456 (= W445)

O94788 Retinal dehydrogenase 2; RALDH 2; RalDH2; Aldehyde dehydrogenase family 1 member A2; ALDH1A2; Retinaldehyde-specific dehydrogenase type 2; RALDH(II); EC 1.2.1.36 from Homo sapiens (Human) (see 6 papers)
40% identity, 99% coverage: 3:472/476 of query aligns to 38:510/518 of O94788

query
sites
O94788

T

T

S

K

H

I

Y

F

I

I

A

N

G

N

H

E

W

W

V

Q

E

N

G

S

Q
x
E

G

S

S

G

D

R

C

V

I

F

S

P

V

V

N

Y

D

N

P

P

A

A

L

T

G

G

Q

E

P

Q

F

V

A

C

E

E

L

V

M

Q

A

E

A

A

S

D

V

K

S

A

Q

D

V

I

D

D

Q

K

A

A

V

V

A

Q

A

A

R

R

S

L

A

A

L

F

P

S

-

L

-

G

-

S

A

V

W

W

K

R

S

R

T

M

C

D

A

A

S

S

E

E

R

R

A

G

A

R

F

L

L

L

R

D

G

K

F

L

A
|
A

E

D

Q

L

L

V

G

E

Q

R

R

D

R

R

E

A

A

V

L

L

V

A

T

T

V

M

Q

E

M

S

R

L

N

N

N

G

G

G

K

K

P

P

R

F

H

L

E

Q

A

A

-

F

E

Y

I

V

D

D

L

L

D

Q

D

G

A

V

I

I

A

K

T

T

F

F

G

R

Y

Y

A

A

E

G

L

W

A

A

E

D

Q

K

L

I

P

-

S

-

K

H

N

G

R

M

T

T

V

I

P

P

L

V

A

D

A

G

P

D

G

Y

F

F

T

T

A

F

R

-

T

T

R

R

L

H

E

E

P

P

V

I

G

G

V

V

V

C

G

G

L
x
Q

I

I

V
x
I

P
|
P

W
|
W

N

N

F

F

P

P

L

L

V

L

T

M

S

F

A

A

W

W

K

K

L

I

A

A

P

P

A

A

L

L

A

C

G

G

C

N

T

T

V

V

L

I

K
|
K

P
|
P

S
x
A

E
|
E

V

Q

T

T

P

P

L

L

I

S

E

A

Q

L

A

Y

Y

M

G

G

Q

A

I

L

A

I

D

K

A

E

L

A

G

G

L

F

P

P

A

P

G

G

V

V

L

I

N

N

I

I

V

L

N

P

G

G

K

Y

A

G

E

P

T

T

-

A

G

G

A

A

L

I

S

A

N

S

H

H

N

I

G

G

L

I

D

D

K

K

L

I

S

A

F

F

T

T

G

G

S
|
S

N
x
T

S
x
E

V

V

G

G

S

K

Q

L

V

I

M

Q

R

E

S

A

A

A

S

G

-

R

A

S

Q

N

C

L

R

K

P

R

V

V

T

T

L

L

E

E

L

L

G

G

K

K

S

S

A

P

I

N

V

I

F

F

D

A

D

D

C

A

D

D

V

L

D

D

Q

Y

A

A

V

V

E

E

W

Q

I

A

V

H

A

Q

G

G

I

V

S

F

W

F

N

N

A

Q

G

G

Q

Q

M

C

C
|
C

S

T

A

A

T

G

S

S

R

R

L

I

L

F

V

V

Q

E

D

E

G

S

I

I

A

Y

D

E

A

E

L

F

L

V

P

R

R

R

L

S

Q

V

A

E

A

R

L

A

E

K

N

R

L
x
R

R
x
V

V

V

G

G

N

S

P

P

L

F

T

D

E

P

E

T

V

T

D

E

M

Q

G

G

P

P

L

Q

T

I

S

D

Q

K

A
x
K

Q
|
Q

W
x
Y

L
x
N

K
|
K

V

I

A

L

S

E

Y

L

F

I

A

Q

T

S

A

G

R

V

E

A

E

E

G

G

L
x
A

Q

K

C

L

L

E

A

C

G

G

H

K

A

G

L

L

D

G

R

R

E

K

G

G

W

F

F

F

V

I

S

E

P

P

T

T

L

V

Y

F

T

S

D

N

V

V

P

T

K

D

D

D

S

M

R

R

L

I

W

A

T

K

E

E

E
|
E

I

I

F

F

G

G

P

P

V

V

L

Q

C

E

A

I

R

L

R

R

F

F

A

K

T

T

E

M

E

D

Q

E

A

V

I

I

A
x
E

E

R

A

A

N

N

D

N

S

S

R

D

F

F

G

G

L

L

V

V

A

A

T

A

V

V

C

F

S

T

A

N

D

D

L

I

E

N

R

K

A

A

E

L

R

T

V

V

A
x
S

D

S

A

A

L

M

E

Q

V

A

G

G

H

T

V

V

W

W

I

I

N

N

S

C

V

Y

Q

N

A

A

V

L

F

N

V

A

E

Q

T

S

S

P

W

F

G

G

T

F

K

K

G

M

S

S

G

G

I

N

G

G

R

R

E

E

L

M

G

G

P

E

W

F

G

G

L

L

S

R

A

E

Y

Y

Q

S

S

E

I

V

K

K

H

T

V

V

T

T

E50 (≠ Q15) to G: in dbSNP:rs34266719
A110 (= A72) to V: in dbSNP:rs35365164
Q182 (≠ L146) to K: in DIH4; decreased retinoic acid biosynthetic process
IPW 184:186 (≠ VPW 148:150) binding
KPAE 210:213 (≠ KPSE 174:177) binding
STE 264:266 (≠ SNS 227:229) binding
C320 (= C282) active site, Nucleophile
R347 (≠ L309) to H: in DIH4; decreased expression; dbSNP:rs141245344
V348 (≠ R310) to I: in dbSNP:rs4646626
KQYNK 366:370 (≠ AQWLK 328:332) binding
A383 (≠ L345) to T: in DIH4; uncertain significance; dbSNP:rs749124508
E417 (= E379) binding
E436 (≠ A398) to K: in dbSNP:rs34744827
S461 (≠ A423) to Y: in DIH4; decreased retinoic acid biosynthetic process

6b5hA Aldh1a2 liganded with NAD and 1-(4-cyanophenyl)-n-(3-fluorophenyl)-3- [4-(methylsulfonyl)phenyl]-1h-pyrazole-4-carboxamide (compound cm121) (see paper)
40% identity, 99% coverage: 3:472/476 of query aligns to 12:484/492 of 6b5hA

query
sites
6b5hA

T

T

S

K

H

I

Y

F

I

I

A

N

G

N

H

E

W

W

V

Q

E

N

G

S

Q

E

G

S

S

G

D

R

C

V

I

F

S

P

V

V

N

Y

D

N

P

P

A

A

L

T

G

G

Q

E

P

Q

F

V

A

C

E

E

L

V

M

Q

A

E

A

A

S

D

V

K

S

A

Q

D

V

I

D

D

Q

K

A

A

V

V

A

Q

A

A

R

R

S

L

A

A

L

F

P

S

-

L

-

G

-

S

A

V

W

W

K

R

S

R

T

M

C

D

A

A

S

S

E

E

R

R

A

G

A

R

F

L

L

L

R

D

G

K

F

L

A

A

E

D

Q

L

L

V

G

E

Q

R

R

D

R

R

E

A

A

V

L

L

V

A

T

T

V

M

Q

E

M

S

R

L

N

N

N

G

G

G

K

K

P

P

R

F

H

L

E

Q

A

A

-

F

E

Y

I
x
V

D

D

L

L

D

Q

D
x
G

A

V

I

I

A

K

T

T

F

F

G

R

Y

Y

A

A

E

G

L

W

A

A

E

D

Q

K

L

I

P

-

S

-

K

H

N

G

R

M

T

T

V

I

P

P

L

V

A

D

A

G

P

D

G

Y

F

F

T

T

A

F

R

-

T

T

R

R

L

H

E

E

P

P

V

I

G

G

V

V

V

C

G

G

L

Q

I
|
I

V
x
I

P

P

W
|
W

N
|
N

F
|
F

P

P

L

L

V

L

T

M

S

F

A

A

W
|
W

K

K

L

I

A

A

P

P

A

A

L

L

A

C

G

G

C

N

T

T

V

V

L

I

K
|
K

P

P

S

A

E

E

V

Q

T

T

P

P

L

L

I

S

E

A

Q

L

A

Y

Y

M

G

G

Q

A

I

L

A

I

D

K

A

E

L

A

G

G

L

F

P

P

A

P

G

G

V

V

L

I

N

N

I

I

V

L

N

P

G

G

K

Y

A
x
G

E

P

T

T

-

A

G
|
G

A

A

L

I

S

A

N

S

H

H

N

I

G

G

L

I

D

D

K

K

L

I

S

A

F
|
F

T
|
T

G
|
G

S
|
S

N

T

S

E

V
|
V

G

G

S

K

Q

L

V

I

M

Q

R

E

S

A

A

A

S

G

-

R

A

S

Q

N

C

L

R

K

P

R

V

V

T

T

L

L

E
|
E

L
|
L

G

G

K

K

S

S

A

P

I

N

V

I

F

F

D

A

D

D

C

A

D

D

V

L

D

D

Q

Y

A

A

V

V

E

E

W

Q

I

A

V

H

A
x
Q

G

G

I

V

S

F

W
x
F

N

N

A

Q

G

G

Q

Q

M

C

C
|
C

S
x
T

A

A

T

G

S

S

R

R

L

I

L

F

V

V

Q

E

D

E

G

S

I

I

A

Y

D

E

A

E

L

F

L

V

P

R

R

R

L

S

Q

V

A

E

A

R

L

A

E

K

N

R

L

R

R

V

V

V

G

G

N

S

P

P

L

F

T

D

E

P

E

T

V

T

D

E

M

Q

G

G

P

P

L

Q

T

I

S

D

Q

K

A

K

Q

Q

W

Y

L

N

K

K

V

I

A

L

S

E

Y

L

F

I

A

Q

T

S

A

G

R

V

E

A

E

E

G

G

L

A

Q

K

C

L

L

E

A

C

G

G

H

K

A

G

L

L

D

G

R

R

E

K

G

G

W

F

F

F

V

I

S

E

P

P

T

T

L

V

Y

F

T

S

D

N

V

V

P

T

K

D

D

D

S

M

R

R

L

I

W

A

T

K

E

E

I

I

F
|
F

G

G

P

P

V

V

L

Q

C

E

A

I

R

L

R

R

F

F

A

K

T

T

E

M

E

D

Q

E

A

V

I

I

A

E

E

R

A

A

N

N

D

N

S

S

R

D

F

F

G

G

L

L

V

V

A

A

T

A

V

V

C

F

S

T

A

N

D

D

L

I

E

N

R

K

A

A

E

L

R

T

V

V

A

S

D

S

A

A

L

M

E

Q

V

A

G

G

H

T

V

V

W

W

I

I

N

N

S

C

V

Y

Q
x
N

A

A

V
x
L

F
x
N

V

A

E

Q

T

S

S

P

W
x
F

G

G

T

F

K

K

G

M

S

S

G

G

I

N

G

G

R

R

E
|
E

L

M

G

G

P

E

W

F

G

G

L

L

S

R

A

E

Y

Y

Q

S

S

E

I

V

K

K

H

T

V

V

T

T

active site: N161 (= N151), E260 (= E248), C294 (= C282), E468 (= E456)
binding 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide: V112 (≠ I99), G116 (≠ D103), F162 (= F152), W169 (= W159), Q284 (≠ A272), F288 (≠ W276), T295 (≠ S283), N449 (≠ Q437), L451 (≠ V439), N452 (≠ F440), F457 (≠ W445)
binding nicotinamide-adenine-dinucleotide: I157 (= I147), I158 (≠ V148), W160 (= W150), N161 (= N151), K184 (= K174), G217 (≠ A207), G221 (= G210), F235 (= F224), T236 (= T225), G237 (= G226), S238 (= S227), V241 (= V230), E260 (= E248), L261 (= L249), C294 (= C282), F393 (= F381)

6b5gA Aldh1a2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3- (pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118) (see paper)
40% identity, 99% coverage: 3:472/476 of query aligns to 12:484/492 of 6b5gA

query
sites
6b5gA

T

T

S

K

H

I

Y

F

I

I

A

N

G

N

H

E

W

W

V

Q

E

N

G

S

Q

E

G

S

S

G

D

R

C

V

I

F

S

P

V

V

N

Y

D

N

P

P

A

A

L

T

G

G

Q

E

P

Q

F

V

A

C

E

E

L

V

M

Q

A

E

A

A

S

D

V

K

S

A

Q

D

V

I

D

D

Q

K

A

A

V

V

A

Q

A

A

R

R

S

L

A

A

L

F

P

S

-

L

-

G

-

S

A

V

W

W

K

R

S

R

T

M

C

D

A

A

S

S

E

E

R

R

A

G

A

R

F

L

L

L

R

D

G

K

F

L

A

A

E

D

Q

L

L

V

G

E

Q

R

R

D

R

R

E

A

A

V

L

L

V

A

T

T

V

M

Q

E

M

S

R

L

N

N

N

G

G

G

K

K

P

P

R

F

H

L

E

Q

A

A

-

F

E

Y

I

V

D

D

L

L

D

Q

D

G

A

V

I

I

A

K

T

T

F

F

G

R

Y

Y

A

A

E

G

L

W

A

A

E

D

Q

K

L

I

P

-

S

-

K

H

N

G

R

M

T

T

V

I

P

P

L

V

A

D

A

G

P

D

G

Y

F

F

T

T

A

F

R

-

T

T

R

R

L

H

E

E

P

P

V

I

G

G

V

V

V

C

G

G

L

Q

I
|
I

V
x
I

P
|
P

W
|
W

N
|
N

F
|
F

P

P

L

L

V
x
L

T
x
M

S

F

A

A

W
|
W

K

K

L

I

A

A

P

P

A

A

L

L

A

C

G

G

C

N

T

T

V

V

L

I

K
|
K

P

P

S

A

E
|
E

V

Q

T

T

P

P

L

L

I

S

E

A

Q

L

A

Y

Y

M

G

G

Q

A

I

L

A

I

D

K

A

E

L

A

G

G

L

F

P

P

A

P

G

G

V

V

L

I

N

N

I

I

V

L

N

P

G

G

K

Y

A
x
G

E

P

T

T

-

A

G
|
G

A

A

L

I

S

A

N

S

H

H

N

I

G

G

L

I

D

D

K

K

L

I

S

A

F
|
F

T
|
T

G
|
G

S
|
S

N

T

S

E

V
|
V

G

G

S

K

Q

L

V

I

M

Q

R

E

S

A

A

A

S

G

-

R

A

S

Q

N

C

L

R

K

P

R

V

V

T

T

L

L

E
|
E

L
|
L

G

G

K

K

S

S

A

P

I

N

V

I

F

F

D

A

D

D

C

A

D

D

V

L

D

D

Q

Y

A

A

V

V

E

E

W

Q

I

A

V

H

A

Q

G

G

I

V

S

F

W
x
F

N

N

A

Q

G

G

Q

Q

M
x
C

C
|
C

S
x
T

A

A

T

G

S

S

R

R

L

I

L

F

V

V

Q

E

D

E

G

S

I

I

A

Y

D

E

A

E

L

F

L

V

P

R

R

R

L

S

Q

V

A

E

A

R

L

A

E

K

N

R

L

R

R

V

V

V

G

G

N

S

P

P

L

F

T

D

E

P

E

T

V

T

D

E

M

Q

G

G

P

P

L

Q

T

I

S

D

Q

K

A

K

Q

Q

W

Y

L

N

K

K

V

I

A

L

S

E

Y

L

F

I

A

Q

T

S

A

G

R

V

E

A

E

E

G

G

L

A

Q

K

C

L

L

E

A

C

G

G

H

K

A

G

L

L

D

G

R

R

E

K

G

G

W

F

F

F

V

I

S

E

P

P

T

T

L

V

Y

F

T

S

D

N

V

V

P

T

K

D

D

D

S

M

R

R

L

I

W

A

T

K

E

E

E
|
E

I

I

F
|
F

G

G

P

P

V

V

L

Q

C

E

A

I

R

L

R

R

F

F

A

K

T

T

E

M

E

D

Q

E

A

V

I

I

A

E

E

R

A

A

N

N

D

N

S

S

R

D

F

F

G

G

L

L

V

V

A

A

T

A

V

V

C

F

S

T

A

N

D

D

L

I

E

N

R

K

A

A

E

L

R

T

V

V

A

S

D

S

A

A

L

M

E

Q

V

A

G

G

H

T

V

V

W

W

I

I

N

N

S

C

V

Y

Q
x
N

A

A

V
x
L

F

N

V

A

E

Q

T

S

S

P

W

F

G

G

T

F

K

K

G

M

S

S

G

G

I

N

G

G

R

R

E
|
E

L

M

G

G

P

E

W

F

G

G

L

L

S

R

A

E

Y

Y

Q

S

S

E

I

V

K

K

H

T

V

V

T

T

active site: N161 (= N151), E260 (= E248), C294 (= C282), E468 (= E456)
binding (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone: F162 (= F152), L165 (≠ V155), W169 (= W159), F288 (≠ W276), C293 (≠ M281), C294 (= C282), T295 (≠ S283), N449 (≠ Q437), L451 (≠ V439)
binding nicotinamide-adenine-dinucleotide: I157 (= I147), I158 (≠ V148), P159 (= P149), W160 (= W150), N161 (= N151), M166 (≠ T156), K184 (= K174), E187 (= E177), G217 (≠ A207), G221 (= G210), F235 (= F224), T236 (= T225), G237 (= G226), S238 (= S227), V241 (= V230), E260 (= E248), L261 (= L249), C294 (= C282), E391 (= E379), F393 (= F381)

6aljA Aldh1a2 liganded with NAD and compound win18,446 (see paper)
40% identity, 99% coverage: 3:472/476 of query aligns to 12:484/492 of 6aljA

query
sites
6aljA

T

T

S

K

H

I

Y

F

I

I

A

N

G

N

H

E

W

W

V

Q

E

N

G

S

Q

E

G

S

S

G

D

R

C

V

I

F

S

P

V

V

N

Y

D

N

P

P

A

A

L

T

G

G

Q

E

P

Q

F

V

A

C

E

E

L

V

M

Q

A

E

A

A

S

D

V

K

S

A

Q

D

V

I

D

D

Q

K

A

A

V

V

A

Q

A

A

R

R

S

L

A

A

L

F

P

S

-

L

-

G

-

S

A

V

W

W

K

R

S

R

T

M

C

D

A

A

S

S

E

E

R

R

A

G

A

R

F

L

L

L

R

D

G

K

F

L

A

A

E

D

Q

L

L

V

G

E

Q

R

R

D

R

R

E

A

A

V

L

L

V

A

T

T

V

M

Q

E

M

S

R

L

N

N

N

G

G

G

K

K

P

P

R

F

H

L

E

Q

A

A

-

F

E

Y

I

V

D

D

L

L

D

Q

D
x
G

A

V

I

I

A

K

T

T

F

F

G

R

Y

Y

A

A

E

G

L

W

A

A

E

D

Q

K

L

I

P

-

S

-

K

H

N

G

R

M

T

T

V

I

P

P

L

V

A

D

A

G

P

D

G

Y

F

F

T

T

A

F

R

-

T

T

R

R

L

H

E

E

P

P

V

I

G

G

V

V

V

C

G

G

L

Q

I
|
I

V
x
I

P
|
P

W
|
W

N
|
N

F
|
F

P

P

L

L

V
x
L

T
x
M

S

F

A

A

W
|
W

K

K

L

I

A

A

P

P

A

A

L

L

A

C

G

G

C

N

T

T

V

V

L

I

K
|
K

P

P

S

A

E
|
E

V

Q

T

T

P

P

L

L

I

S

E

A

Q

L

A

Y

Y

M

G

G

Q

A

I

L

A

I

D

K

A

E

L

A

G

G

L

F

P

P

A

P

G

G

V

V

L

I

N

N

I

I

V

L

N

P

G

G

K

Y

A
x
G

E

P

T

T

-

A

G
|
G

A

A

L

I

S

A

N

S

H

H

N

I

G

G

L

I

D

D

K

K

L

I

S

A

F
|
F

T

T

G
|
G

S
|
S

N

T

S

E

V
|
V

G

G

S

K

Q

L

V

I

M

Q

R

E

S

A

A

A

S

G

-

R

A

S

Q

N

C

L

R

K

P

R

V

V

T

T

L

L

E
|
E

L

L

G

G

K

K

S

S

A

P

I

N

V

I

F

F

D

A

D

D

C

A

D

D

V

L

D

D

Q

Y

A

A

V

V

E

E

W

Q

I

A

V

H

A

Q

G

G

I

V

S

F

W

F

N

N

A

Q

G

G

Q

Q

M
x
C

C
|
C

S

T

A

A

T

G

S

S

R

R

L

I

L

F

V

V

Q

E

D

E

G

S

I

I

A

Y

D

E

A

E

L

F

L

V

P

R

R

R

L

S

Q

V

A

E

A

R

L

A

E

K

N

R

L

R

R

V

V

V

G

G

N

S

P

P

L

F

T

D

E

P

E

T

V

T

D

E

M

Q

G

G

P

P

L

Q

T

I

S

D

Q

K

A

K

Q
|
Q

W

Y

L

N

K
|
K

V

I

A

L

S

E

Y

L

F

I

A

Q

T

S

A

G

R

V

E

A

E

E

G

G

L

A

Q

K

C

L

L

E

A

C

G

G

H

K

A

G

L

L

D

G

R

R

E

K

G

G

W

F

F

F

V

I

S

E

P

P

T

T

L

V

Y

F

T

S

D

N

V

V

P

T

K

D

D

D

S

M

R

R

L

I

W

A

T

K

E

E

E
|
E

I

I

F
|
F

G

G

P

P

V

V

L

Q

C

E

A

I

R

L

R

R

F

F

A

K

T

T

E

M

E

D

Q

E

A

V

I

I

A

E

E

R

A

A

N

N

D

N

S

S

R

D

F

F

G

G

L

L

V

V

A

A

T

A

V

V

C

F

S

T

A

N

D

D

L

I

E

N

R

K

A

A

E

L

R

T

V

V

A

S

D

S

A

A

L

M

E

Q

V

A

G

G

H

T

V

V

W

W

I

I

N

N

S

C

V

Y

Q

N

A

A

V
x
L

F
x
N

V
x
A

E

Q

T

S

S

P

W

F

G

G

T

F

K

K

G

M

S

S

G

G

I

N

G

G

R

R

E
|
E

L

M

G

G

P

E

W

F

G

G

L

L

S

R

A

E

Y

Y

Q

S

S

E

I

V

K

K

H

T

V

V

T

T

active site: N161 (= N151), E260 (= E248), C294 (= C282), E468 (= E456)
binding N,N'-(octane-1,8-diyl)bis(2,2-dichloroacetamide): G116 (≠ D103), F162 (= F152), L165 (≠ V155), M166 (≠ T156), W169 (= W159), E260 (= E248), C293 (≠ M281), C294 (= C282), L451 (≠ V439), N452 (≠ F440), A453 (≠ V441)
binding nicotinamide-adenine-dinucleotide: I157 (= I147), I158 (≠ V148), P159 (= P149), W160 (= W150), N161 (= N151), K184 (= K174), E187 (= E177), G217 (≠ A207), G221 (= G210), F235 (= F224), G237 (= G226), S238 (= S227), V241 (= V230), Q341 (= Q329), K344 (= K332), E391 (= E379), F393 (= F381)

4neaA 1.90 angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betb) from staphylococcus aureus in complex with NAD+ and bme-free cys289 (see paper)
37% identity, 99% coverage: 1:471/476 of query aligns to 16:491/505 of 4neaA

query
sites
4neaA

M

L

T

S

T

Q

S

R

H

Q

Y

Y

I

I

A

D

G

G

H

E

W

W

V

V

E

E

G

S

Q

A

G

N

S

K

D

N

C

T

I

R

S

D

V

I

N

I

D

N

P

P

A

Y

L

N

G

Q

Q

E

P

V

F

I

A

F

E

T

L

V

M

S

A

E

A

G

S

T

V

K

S

E

Q

D

V

A

D

E

Q

R

A

A

V

I

A

L

A

A

R

R

S

R

A

A

L

F

P

E

A

S

-

G

-

E

W

W

K

S

S

Q

T

E

C

T

A

A

S

E

E

T

R

R

A

G

A

K

F

K

L

V

R

R

G

A

F

I

A

A

E

D

Q

K

L

I

G

K

Q

E

R

H

R

R

E

E

A

A

L

L

V

A

T

R

V

L

Q

E

M

T

R

L

N

D

N

T

G

G

K

K

P

T

R

L

H

E

E

E

A

S

E

Y

I

A

D

D

L

M

D

D

A

I

I

H

A

N

T

V

F

F

G

M

Y

Y

Y

F

A

A

E

G

L

L

A

A

E

D

Q

K

L

D

P

G

S

G

K

E

N

M

R

I

T

D

V

S

P

P

L

I

A

-

P

P

G

D

F

T

T

E

A

S

R

K

T

I

R

V

L

K

E

E

P

P

V

V

G

G

V

V

G

T

L

Q

I

I

V

T

P
|
P

W

W

N
|
N

F

Y

P

P

L

L

V

L

T

Q

S

A

A

S

W

W

K

K

L

I

A

A

P

P

A

A

L

L

A

A

A

T

G

G

C

C

T

S

V

L

V

V

L

M

K
|
K

P

P

S

S

E
|
E

V

I

T

T

P

P

L

L

I

T

E

T

Q

I

A

R

Y

V

G

F

Q

E

I

L

A

M

D

E

A

E

L

V

G

G

L

F

P

P

A

K

G

G

V

T

L

I

N

N

I

L

V

I

N

L

G

G

K

A

-
x
G

A

S

E

E

T

V

G
|
G

A

D

A

V

L

M

S

S

N

G

H

H

N

K

G

E

L

V

D

D

K

L

L

V

S

S

F

F

T

T

G
|
G

S
x
G

N

I

S

E

V
x
T

G

G

S

K

Q
x
H

V
x
I

M

M

R

K

S

N

A

A

S

A

A

N

Q

N

C

V

R

T

P

N

V

I

T

A

L

L

E
|
E

L

L

G

G

K

K

S

N

A

P

I

N

V

I

F

F

D

D

C

A

D

D

V

F

D

E

Q

L

A

A

V

V

E

D

W

Q

I

A

V

L

A

N

G

G

I

G

S

Y

W

F

N

H

A

A

G

G

Q

Q

M

V

C
|
C

S

S

A

A

T

G

S

S

R

R

L

I

L

L

V

V

Q

Q

D

N

G

S

I

I

A

K

D

D

A

K

L

F

L

E

P

Q

R

A

L

L

Q

I

A

D

A

R

L

V

E

K

N

K

L

I

R

K

V

L

G

G

N

N

P

G

L

F

T

D

E

A

E

D

V

T

D

E

M

M

G

G

P

P

L

V

T

I

S

S

Q

T

A

E

Q

H

W

R

L

N

K

K

V

I

A

E

S

S

Y

Y

F

M

A

D

T

V

A

A

R

K

E

A

E

E

G

G

L

A

Q

T

C

I

L

A

A

V

G

G

H

K

A

R

L

P

D

D

R

R

E

D

-

D

-

L

-

K

-

D

G

G

W

L

F

F

V

F

S

E

P

P

T

T

L

V

Y

I

T

T

D

N

V

C

P

D

K

T

D

S

S

M

R

R

L

I

W

V

T

Q

E

E

E
|
E

I

V

F
|
F

G

G

P

P

V

V

L

V

C

T

A

V

R

E

R

G

F

F

A

E

T

T

E

E

E

Q

Q

E

A

A

I

I

A

Q

E

L

A

A

N

N

D

D

S

S

R

I

F

Y

G

G

L

L

V

A

A

G

T

A

V

V

C

F

S

S

A

K

D

D

L

I

E

G

R

K

A

A

E

Q

R

R

V

V

A

A

D

N

A

K

L

L

E

K

V

L

G

G

H

T

V

V

W

W

I

I

N

N

S

D

V

F

Q

H

A

P

V

Y

F

F

V

A

E

Q

T

A

S

P

W

W

G

G

T

Y

K

K

G

Q

S

S

G

G

I

I

G

G

R

R

E
|
E

L

L

G

G

P

K

W

E

G

G

L

L

S

E

A

E

Y

Y

Q

L

S

V

I

S

K

K

H

H

V

I

active site: N166 (= N151), K189 (= K174), E264 (= E248), C298 (= C282), E399 (= E379), E476 (= E456)
binding nicotinamide-adenine-dinucleotide: P164 (= P149), K189 (= K174), E192 (= E177), G222 (vs. gap), G226 (= G210), G242 (= G226), G243 (≠ S227), T246 (≠ V230), H249 (≠ Q233), I250 (≠ V234), C298 (= C282), E399 (= E379), F401 (= F381)

Q63639 Retinal dehydrogenase 2; RALDH 2; RalDH2; Aldehyde dehydrogenase family 1 member A2; ALDH1A2; Retinaldehyde-specific dehydrogenase type 2; RALDH(II); EC 1.2.1.36 from Rattus norvegicus (Rat) (see paper)
40% identity, 99% coverage: 3:472/476 of query aligns to 38:510/518 of Q63639

query
sites
Q63639

T

T

S

K

H

I

Y

F

I

I

A

N

G

N

H

E

W

W

V

Q

E

N

G

S

Q

E

G

S

S

G

D

R

C

V

I

F

S

P

V

V

N

C

D

N

P

P

A

A

L

T

G

G

Q

E

P

Q

F

V

A

C

E

E

L

V

M

Q

A

E

A

A

S

D

V

K

S

V

Q

D

V

I

D

D

Q

K

A

A

V

V

A

Q

A

A

R

R

S

L

A

A

L

F

P

S

-

L

-

G

-

S

A

V

W

W

K

R

S

R

T

M

C

D

A

A

S

S

E

E

R

R

A

G

A

R

F

L

L

L

R

D

G

K

F

L

A

A

E

D

Q

L

L

V

G

E

Q

R

R

D

R

R

E

A

A

T

L

L

V

A

T

T

V

M

Q

E

M

S

R

L

N

N

N

G

G

G

K

K

P

P

R

F

H

L

E

Q

A

A

-

F

E

Y

I

I

D

D

L

L

D

Q

D

G

A

V

I

I

A

K

T

T

F

L

G

R

Y

Y

A

A

E

G

L

W

A

A

E

D

Q

K

L

I

P

-

S

-

K

H

N

G

R

M

T

T

V

I

P

P

L

V

A

D

A

G

P

D

G

Y

F

F

T

T

A

F

R

-

T

T

R

R

L

H

E

E

P

P

V

I

G

G

V

V

V

C

G

G

L

Q

I

I

V
x
I

P
|
P

W
|
W

N

N

F

F

P

P

L

L

V

L

T

M

S

F

A

T

W

W

K

K

L

I

A

A

P

P

A

A

L

L

A

C

G

G

C

N

T

T

V

V

L

I

K
|
K

P
|
P

S
x
A

E
|
E

V

Q

T

T

P

P

L

L

I

S

E

A

Q

L

A

Y

Y

M

G

G

Q

A

I

L

A

I

D

K

A

E

L

A

G

G

L

F

P

P

A

P

G

G

V

V

L

V

N

N

I

I

V

L

N

P

G

G

K

Y

A

G

E

P

T

T

-

A

G

G

A

A

L

I

S

A

N

S

H

H

N

I

G

G

L

I

D

D

K

K

L

I

S

A

F

F

T

T

G

G

S

S

N

T

S

E

V

V

G

G

S

K

Q

L

V

I

M

Q

R

E

S

A

A

A

S

G

-

R

A

S

Q

N

C

L

R

K

P

R

V

V

T

T

L

L

E

E

L

L

G

G

K

K

S

S

A

P

I

N

V

I

F

F

D

A

D

D

C

A

D

D

V

L

D

D

Q

Y

A

A

V

V

E

E

W

Q

I

A

V

H

A

Q

G

G

I

V

S

F

W

F

N

N

A

Q

G

G

Q

Q

M

C

C

C

S

T

A

A

T

G

S

S

R

R

L

I

L

F

V

V

Q

E

D

E

G

S

I

I

A

Y

D

E

A

E

L

F

L

V

P

K

R

R

L

S

Q

V

A

E

A

R

L

A

E

K

N

R

L

R

R

I

V

V

G

G

N

S

P

P

L

F

T

D

E

P

E

T

V

T

D

E

M

Q

G

G

P

P

L

Q

T

I

S

D

Q

K

A

K

Q

Q

W

Y

L

N

K

K

V

I

A

L

S

E

Y

L

F

I

A

Q

T

S

A

G

R

V

E

A

E

E

G

G

L

A

Q

K

C

L

L

E

A

C

G

G

H

K

A

G

L

L

D

G

R

R

E

K

G

G

W

F

F

F

V

I

S

E

P

P

T

T

L

V

Y

F

T

S

D

N

V

V

P

T

K

D

D

D

S

M

R

R

L

I

W

A

T

K

E

E

I

I

F

F

G

G

P

P

V

V

L

Q

C

E

A

I

R

L

R

R

F

F

A

K

T

T

E

M

E

D

Q

E

A

V

I

I

A

E

E

R

A

A

N

N

D

N

S

S

R

D

F

F

G

G

L

L

V

V

A

A

T

A

V

V

C

F

S

T

A

N

D

D

L

I

E

N

R

K

A

A

E

L

R

M

V

V

A

S

D

S

A

A

L

M

E

Q

V

A

G

G

H

T

V

V

W

W

I

I

N

N

S

C

V

Y

Q

N

A

A

V

L

F

N

V

A

E

Q

T

S

S

P

W

F

G

G

T

F

K

K

G

M

S

S

G

G

I

N

G

G

R

R

E

E

L

M

G

G

P

E

W

F

G

G

L

L

S

R

A

E

Y

Y

Q

S

S

E

I

V

K

K

H

T

V

V

T

T

IPW 184:186 (≠ VPW 148:150) binding
KPAE 210:213 (≠ KPSE 174:177) binding

5gtlA NADPH complex structure of aldehyde dehydrogenase from bacillus cereus
38% identity, 98% coverage: 6:471/476 of query aligns to 20:486/491 of 5gtlA

query
sites
5gtlA

Y

F

I

I

A

N

G

G

H

E

W

F

V

V

E

S

G

A

Q

I

G

G

S

G

D

K

C

T

I

F

S

E

V

T

N

Y

D

N

P

P

A

A

L

T

G

E

Q

D

P

V

F

L

A

A

E

V

L

V

M

C

A

E

A

A

S

Q

V

E

S

E

Q

D

V

I

D

D

Q

A

A

A

V

V

A

K

A

A

R

R

S

S

A

A

L

F

P

E

A

S

-

G

-

P

W

W

K

A

S

E

T

M

C

T

A

T

S

A

E

E

R

R

A

A

A

H

F

L

L

I

R

Y

G

K

F

L

A

A

E

D

Q

L

L

I

G

E

Q

E

R

H

R

R

E

E

A

E

L

L

V

A

T

Q

V

L

Q

E

M

A

R

L

N

D

N

N

G

G

K

K

P

P

R

Y

H

Q

E

V

A

A

-

L

E

D

I

D

D

D

L

I

D

S

D

A

A

T

I

V

A

E

T

N

F

Y

G

R

Y

Y

A

A

E

G

L

W

A

T

E

T

Q

K

L

I

P

I

S

G

K

-

N

-

R

Q

T

T

V

I

P

P

L

I

A

S

A

K

P

D

G

-

F

Y

T

L

A

N

R

Y

T

T

R

R

L

H

E

E

P

P

V

V

G

G

V

V

G

G

L

Q

I
|
I

V

I

P
|
P

W

W

N
|
N

F

F

P

P

L

L

V

V

T

M

S

S

A

S

W

W

K

K

L

M

A

G

P

A

A

A

L

L

A

A

A

T

G

G

C

C

T

T

V

I

V

V

L

L

K
|
K

P

P

S
x
A

E
|
E

V
x
Q

T

T

P

P

L

L

I

S

E

L

Q

L

A

Y

Y

A

G

A

Q

K

I

L

A

F

D

K

A

E

L

A

G

G

L

F

P

P

A

N

G

G

V

V

L

V

N

N

I

F

V

V

N

P

G

G

K

F

A
x
G

-

P

E

E

T

A

G
|
G

A

A

L

I

S

V

N

N

H

H

N

H

G

D

L

I

D

D

K

K

L

V

S

A

F

F

T

T

G
|
G

S
|
S

N

T

S

V

V
x
T

G

G

S

K

Q

Y

V

I

M

M

R

R

S

Q

A

S

S

A

A

E

Q

M

C

I

R

K

P

H

V

V

T

T

L

L

E
|
E

L
|
L

G

G

K

K

S

S

A

P

I

N

V

I

F

L

D

E

D

D

C

A

D

D

V

L

D

E

Q

E

A

A

V

I

E

N

W

G

I

A

V

F

A

Q

G

G

I

I

S

M

W

Y

N

N

A

H

G

G

Q

Q

M

N

C
|
C

S

S

A

A

T

G

S

S

R

R

L

V

L

F

V

V

Q

H

D

R

G

K

I

H

A

Y

D

E

A

T

L

V

P

D

R

A

L

L

Q

V

A

K

A

M

L

A

E

N

N

N

L

V

R

K

V

L

G

G

N

A

P

G

L

M

T

E

E

K

E

E

V

T

D

E

M

M

G

G

P

P

L

L

T

V

S

S

Q

K

A

K

Q

Q

W

Q

L

E

K

R

V

V

A

L

S

N

Y

Y

F

I

A

E

T

Q

A

G

R

K

E

K

E

E

G

G

L

A

Q

T

C

V

L

A

A

A

G

G

H

E

A

R

L

A

D

L

R

E

E

K

G

G

W

Y

F

F

V

V

S

K

P

P

T

T

L

V

Y

F

T

T

D

D

V

V

P

T

K

D

D

D

S

M

R

T

L

I

W

V

T

K

E

E

E
|
E

I

I

F
|
F

G

G

P

P

V

V

L

V

C

V

A

V

R

L

R

P

F

F

A

D

T

S

E

T

E

E

Q

E

A

V

I

I

A

E

E

R

A

A

N

N

D

N

S

S

R

S

F

Y

G

G

L

L

V

A

A

A

T

G

V

V

C

W

S

T

A

Q

D

N

L

I

E

K

R

T

A

G

E

H

R

Q

V

V

A

A

D

N

A

K

L

L

E

K

V

A

G

G

H

T

V

V

W

W

I

I

N

N

S

D

V

Y

Q

N

A

L

V

E

F

N

V

A

E

A

T

A

S

P

W

F

G

G

T

Y

K

K

G

Q

S

S

G

G

I

I

G

G

R

R

E
|
E

L

L

G

G

P

S

W

Y

G

A

L

L

S

D

A

N

Y

Y

Q

T

S

E

I

V

K

K

H

S

V

V

active site: N165 (= N151), K188 (= K174), E263 (= E248), C297 (= C282), E394 (= E379), E471 (= E456)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: I161 (= I147), P163 (= P149), K188 (= K174), A190 (≠ S176), E191 (= E177), Q192 (≠ V178), G221 (≠ A207), G225 (= G210), G241 (= G226), S242 (= S227), T245 (≠ V230), L264 (= L249), C297 (= C282), E394 (= E379), F396 (= F381)

5gtkA NAD+ complex structure of aldehyde dehydrogenase from bacillus cereus
38% identity, 98% coverage: 6:471/476 of query aligns to 20:486/491 of 5gtkA

query
sites
5gtkA

Y

F

I

I

A

N

G

G

H

E

W

F

V

V

E

S

G

A

Q

I

G

G

S

G

D

K

C

T

I

F

S

E

V

T

N

Y

D

N

P

P

A

A

L

T

G

E

Q

D

P

V

F

L

A

A

E

V

L

V

M

C

A

E

A

A

S

Q

V

E

S

E

Q

D

V

I

D

D

Q

A

A

A

V

V

A

K

A

A

R

R

S

S

A

A

L

F

P

E

A

S

-

G

-

P

W

W

K

A

S

E

T

M

C

T

A

T

S

A

E

E

R

R

A

A

A

H

F

L

L

I

R

Y

G

K

F

L

A

A

E

D

Q

L

L

I

G

E

Q

E

R

H

R

R

E

E

A

E

L

L

V

A

T

Q

V

L

Q

E

M

A

R

L

N

D

N

N

G

G

K

K

P

P

R

Y

H

Q

E

V

A

A

-

L

E

D

I

D

D

D

L

I

D

S

D

A

A

T

I

V

A

E

T

N

F

Y

G

R

Y

Y

A

A

E

G

L

W

A

T

E

T

Q

K

L

I

P

I

S

G

K

-

N

-

R

Q

T

T

V

I

P

P

L

I

A

S

A

K

P

D

G

-

F

Y

T

L

A

N

R

Y

T

T

R

R

L

H

E

E

P

P

V

V

G

G

V

V

G

G

L

Q

I
|
I

V
x
I

P
|
P

W
|
W

N
|
N

F

F

P

P

L

L

V

V

T

M

S

S

A

S

W

W

K

K

L

M

A

G

P

A

A

A

L

L

A

A

A

T

G

G

C

C

T

T

V

I

V

V

L

L

K
|
K

P

P

S

A

E
|
E

V

Q

T

T

P

P

L

L

I

S

E

L

Q

L

A

Y

Y

A

G

A

Q

K

I

L

A

F

D

K

A

E

L

A

G

G

L

F

P

P

A

N

G

G

V

V

L

V

N

N

I

F

V

V

N

P

G

G

K

F

A
x
G

-

P

E

E

T

A

G
|
G

A
|
A

A

A

L

I

S

V

N

N

H

H

N

H

G

D

L

I

D

D

K

K

L

V

S

A

F
|
F

T

T

G
|
G

S
|
S

N

T

S

V

V
x
T

G

G

S

K

Q
x
Y

V

I

M

M

R

R

S

Q

A

S

S

A

A

E

Q

M

C

I

R

K

P

H

V

V

T

T

L

L

E
|
E

L
|
L

G

G

K

K

S

S

A

P

I

N

V

I

F

L

D

E

D

D

C

A

D

D

V

L

D

E

Q

E

A

A

V

I

E

N

W

G

I

A

V

F

A

Q

G

G

I

I

S

M

W

Y

N

N

A

H

G

G

Q

Q

M

N

C
|
C

S

S

A

A

T

G

S

S

R

R

L

V

L

F

V

V

Q

H

D

R

G

K

I

H

A

Y

D

E

A

T

L

V

P

D

R

A

L

L

Q

V

A

K

A

M

L

A

E

N

N

N

L

V

R

K

V

L

G

G

N

A

P

G

L

M

T

E

E

K

E

E

V

T

D

E

M

M

G

G

P

P

L

L

T

V

S

S

Q

K

A

K

Q
|
Q

W

Q

L

E

K
x
R

V

V

A

L

S

N

Y

Y

F

I

A

E

T

Q

A

G

R

K

E

K

E

E

G

G

L

A

Q

T

C

V

L

A

A

A

G

G

H

E

A

R

L

A

D

L

R

E

E

K

G

G

W

Y

F

F

V

V

S

K

P

P

T

T

L

V

Y

F

T

T

D

D

V

V

P

T

K

D

D

D

S

M

R

T

L

I

W

V

T

K

E

E

E
|
E

I

I

F
|
F

G

G

P

P

V

V

L

V

C

V

A

V

R

L

R

P

F

F

A

D

T

S

E

T

E

E

Q

E

A

V

I

I

A

E

E

R

A

A

N

N

D

N

S

S

R

S

F

Y

G

G

L

L

V

A

A

A

T

G

V

V

C

W

S

T

A

Q

D

N

L

I

E

K

R

T

A

G

E

H

R

Q

V

V

A

A

D

N

A

K

L

L

E

K

V

A

G

G

H

T

V

V

W

W

I

I

N

N

S

D

V

Y

Q

N

A

L

V

E

F

N

V

A

E

A

T

A

S

P

W

F

G

G

T

Y

K

K

G

Q

S

S

G

G

I

I

G

G

R

R

E
|
E

L

L

G

G

P

S

W

Y

G

A

L

L

S

D

A

N

Y

Y

Q

T

S

E

I

V

K

K

H

S

V

V

active site: N165 (= N151), K188 (= K174), E263 (= E248), C297 (= C282), E394 (= E379), E471 (= E456)
binding nicotinamide-adenine-dinucleotide: I161 (= I147), I162 (≠ V148), P163 (= P149), W164 (= W150), K188 (= K174), E191 (= E177), G221 (≠ A207), G225 (= G210), A226 (= A211), F239 (= F224), G241 (= G226), S242 (= S227), T245 (≠ V230), Y248 (≠ Q233), L264 (= L249), C297 (= C282), Q344 (= Q329), R347 (≠ K332), E394 (= E379), F396 (= F381)

Query Sequence

>PP_0708 FitnessBrowser__Putida:PP_0708
MTTSHYIAGHWVEGQGSDCISVNDPALGQPFAELMAASVSQVDQAVAAARSALPAWKSTC
ASERAAFLRGFAEQLGQRREALVTVQMRNNGKPRHEAEIDLDDAIATFGYYAELAEQLPS
KNRTVPLAAPGFTARTRLEPVGVVGLIVPWNFPLVTSAWKLAPALAAGCTVVLKPSEVTP
LIEQAYGQIADALGLPAGVLNIVNGKAETGAALSNHNGLDKLSFTGSNSVGSQVMRSASA
QCRPVTLELGGKSAIVVFDDCDVDQAVEWIVAGISWNAGQMCSATSRLLVQDGIADALLP
RLQAALENLRVGNPLTEEVDMGPLTSQAQWLKVASYFATAREEGLQCLAGGHALDREGWF
VSPTLYTDVPKDSRLWTEEIFGPVLCARRFATEEQAIAEANDSRFGLVATVCSADLERAE
RVADALEVGHVWINSVQAVFVETSWGGTKGSGIGRELGPWGLSAYQSIKHVTRCLG

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