SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing Pf1N1B4_5695 FitnessBrowser__pseudo1_N1B4:Pf1N1B4_5695 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)

P25553 Lactaldehyde dehydrogenase; Aldehyde dehydrogenase A; Glycolaldehyde dehydrogenase; EC 1.2.1.22; EC 1.2.1.21 from Escherichia coli (strain K12) (see 5 papers)
61% identity, 99% coverage: 3:476/477 of query aligns to 2:478/479 of P25553

query
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P25553

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L150 (= L148) binding NAD(+)
R161 (= R159) binding (S)-lactate
KPSE 176:179 (= KPSE 174:177) binding NAD(+)
F180 (≠ E178) mutation to T: Can bind and use NADP(+) as coenzyme. 16-fold increase in catalytic efficiency with NAD(+) as coenzyme.
Q214 (≠ A211) binding NAD(+)
S230 (= S227) binding NAD(+)
E251 (= E248) binding (S)-lactate
N286 (= N283) binding (S)-lactate; mutation to E: 4-fold increase in catalytic efficiency with L-lactaldehyde as substrate. Shows expanded substrate specificity.; mutation to H: 15-fold increase in catalytic efficiency with L-lactaldehyde as substrate. Shows expanded substrate specificity.; mutation to T: 6-fold increase in catalytic efficiency with L-lactaldehyde as substrate. Shows expanded substrate specificity.
R336 (≠ S333) binding NAD(+)
E443 (= E441) binding (S)-lactate
H449 (= H447) binding (S)-lactate

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

2opxA Crystal structure of lactaldehyde dehydrogenase from escherichia coli
61% identity, 99% coverage: 4:476/477 of query aligns to 1:476/477 of 2opxA

query
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2opxA

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active site: N151 (= N151), K174 (= K174), E249 (= E248), C283 (= C282), E381 (= E381), A458 (= A458)
binding (3alpha,5beta,12alpha)-3,12-dihydroxycholan-24-oic acid: F105 (= F105), F152 (= F152), N284 (= N283), F312 (≠ Y311), G313 (= G312), R318 (≠ Q317), D320 (= D319), I321 (≠ V320), A322 (≠ E321), Y362 (≠ H362), F440 (= F440), F440 (= F440), E441 (= E441)

2impA Crystal structure of lactaldehyde dehydrogenase from e. Coli: the ternary complex with lactate (occupancy 0.5) and nadh. Crystals soaked with (l)-lactate. (see paper)
61% identity, 99% coverage: 4:476/477 of query aligns to 1:476/477 of 2impA

query
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2impA

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A

E

E

R

R

V

V

Y

Y

V

V

E

Q

R

K

K

G

V

I

A

Y

D

D

Q

Q

F

F

I

V

E

N

R

R

I

L

A

G

A

E

A

A

M

M

S

Q

A

A

T

V

R

Q

Y

F

G

G

D

N

P

P

I

A

A

E

Q

R

P

N

D

D

V

I

E

A

M

M

G

G

P

P

L

L

I

I

N

N

R

A

Q

A

G

A

L

L

D

E

S
x
R

V

V

N

E

Q

Q

K

K

V

V

R

A

T

R

A

A

L

V

S

E

Q

E

G

G

A

A

S

R

L

V

I

A

S

F

G

G

Q

K

V

A

A

V

D

E

L

-

P

G

N

K

G

G

Y

Y

H

Y

F

Y

Q

P

P

P

T

T

V

L

L

L

A

L

G

D

C

V

R

R

A

Q

D

E

M

M

E

S

I

I

M

M

R

H

E

E

E
|
E

I

T

F

F

G

G

P

P

V

V

L

L

P

P

I

V

Q

V

I

A

V

F

D

D

D

T

L

L

D

E

E

D

A

A

I

I

A

S

M

M

A

A

N

N

D

D

C

S

D

D

Y

Y

G

G

L

L

T

T

S

S

I

I

Y

Y

T

T

R

Q

D

N

L

L

S

N

K

V

T

A

M

M

H

K

A

A

M

I

R

K

E

G

L

L

D

K

F

F

G

G

E

E

T

T

Y

Y

V

I

N

N

R

R

E

E

N

N

F

F

E

E

A

A

M

M

Q

Q

G

G

F

F

H

H

A

A

G

G

V

W

R

R

K

K

S

S

G

G

I

I

G

G

A
|
A

D

D

G

G

K

K

H

H

G

G

L

L

Y

H

E

E

Y

Y

T

L

H

Q

T

T

H

Q

A

V

V

V

Y

Y

L

L

Q

Q

active site: N151 (= N151), K174 (= K174), E249 (= E248), C283 (= C282), E381 (= E381), A458 (= A458)
binding 1,4-dihydronicotinamide adenine dinucleotide: I147 (= I147), L148 (= L148), P149 (= P149), W150 (= W150), K174 (= K174), E177 (= E177), F178 (≠ E178), G207 (= G207), G211 (= G210), Q212 (≠ A211), S228 (= S227), A231 (≠ T230), K234 (≠ R233), R334 (≠ S333)

2iluA Crystal structure of lactaldehyde dehydrogenase from e. Coli: the binary complex with NADPH (see paper)
61% identity, 99% coverage: 4:476/477 of query aligns to 1:476/477 of 2iluA

query
sites
2iluA

V

V

P

P

V

V

-

Q

Y

H

Q

P

N

M

F

Y

I

I

N

D

G

G

Q

Q

F

F

V

V

A

T

-

W

-

R

S

G

A

D

A

A

H

W

L

I

D

D

V

V

I

V

N

N

P

P

A

A

T

T

G

E

A

A

V

V

L

I

S

S

K

R

V

I

P

P

A

D

S

G

T

Q

A

A

D

E

D

D

V

A

D

R

R

K

A

A

L

I

A

D

A

A

R

E

A

R

A

A

Q

Q

K

P

D

E

W

W

S

E

R

A

K

L

P

P

A

A

I

I

E

E

R

R

A

A

G

S

H

W

L

L

R

R

R

K

I

I

A

S

T

A

K

G

L

I

R

R

E

E

N

R

V

A

A

S

H

E

L

I

A

S

R

A

T

L

I

I

T

V

L

E

E

E

Q

G

G

G

K

K

I

I

S

Q

G

Q

L

L

A

A

E

E

V

V

E

E

V

V

N

A

F

F

T

T

A

A

D

D

Y

Y

L

I

D

D

Y

Y

M

M

A

A

E

E

W

W

A

A

R

R

I

Y

E

E

G

G

E

E

I

I

T

Q

S

S

D

D

R

R

Q

P

N

G

E

E

N

N

I

I

F

L

L

L

F

F

R

K

K

R

P

A

L

L

G

G

V

V

V

T

A

T

G

G

I
|
I

L
|
L

P
|
P

W
|
W

N
|
N

F

F

P

P

F

F

L

L

I

I

A

A

R

R

K

K

M

M

A

A

P

P

A

A

L

L

T

T

G

G

N

N

T

T

I

I

V

V

I

I

K
|
K

P

P

S
|
S

E
|
E

E

F

T

T

P

P

N

N

C

A

F

I

E

A

F

F

A

A

R

K

L

I

V

V

A

D

E

E

T

I

D

G

L

L

P

P

A

R

G

G

V

V

F

F

N

N

V

L

V

V

C

L

G

G

D
x
R

G
|
G

R

E

-

T

V

V

G
|
G

A
x
Q

A

E

L

L

S

A

A

G

H

N

K

P

D

K

V

V

D

A

M

M

I

V

S

S

F

M

T

T

G

G

S
|
S

V

V

D

S

T
x
A

G

G

S

E

R
x
K

I
|
I

M

M

A

A

A

T

A

A

P

K

N

N

I

I

T

T

K

K

L

V

N

C

L

L

E
|
E

L

L

G

G

K

K

A

A

P

P

A

A

I

I

V

V

L

M

A

D

D

D

A

A

D

D

L

L

D

E

L

L

A

A

V

V

K

K

A

A

I

I

R

V

D

D

S

S

R

R

I

V

I

I

N

N

S

S

G

G

Q

Q

V

V

C
|
C

N

N

C

C

A

A

E

E

R

R

V

V

Y

Y

V

V

E

Q

R

K

K

G

V

I

A

Y

D

D

Q

Q

F

F

I

V

E

N

R

R

I

L

A

G

A

E

A

A

M

M

S

Q

A

A

T

V

R

Q

Y

F

G

G

D

N

P

P

I

A

A

E

Q

R

P

N

D

D

V

I

E

A

M

M

G

G

P

P

L

L

I

I

N
|
N

R

A

Q

A

G

A

L

L

D

E

S
x
R

V

V

N

E

Q

Q

K

K

V

V

R

A

T

R

A

A

L

V

S

E

Q

E

G

G

A

A

S

R

L

V

I

A

S

F

G

G

Q

K

V

A

A

V

D

E

L

-

P

G

N

K

G

G

Y

Y

H

Y

F

Y

Q

P

P

P

T

T

V

L

L

L

A

L

G

D

C

V

R

R

A

Q

D

E

M

M

E

S

I

I

M

M

R

H

E

E

E
|
E

I

T

F
|
F

G

G

P

P

V

V

L

L

P

P

I

V

Q

V

I

A

V

F

D

D

D

T

L

L

D

E

E

D

A

A

I

I

A

S

M

M

A

A

N

N

D

D

C

S

D

D

Y

Y

G

G

L

L

T

T

S

S

I

I

Y

Y

T

T

R

Q

D

N

L

L

S

N

K

V

T

A

M

M

H

K

A

A

M

I

R

K

E

G

L

L

D

K

F

F

G

G

E

E

T

T

Y

Y

V

I

N

N

R

R

E

E

N

N

F

F

E

E

A

A

M

M

Q

Q

G

G

F

F

H

H

A

A

G

G

V

W

R

R

K

K

S

S

G

G

I

I

G

G

A
|
A

D

D

G

G

K

K

H

H

G

G

L

L

Y

H

E

E

Y

Y

T

L

H

Q

T

T

H

Q

A

V

V

V

Y

Y

L

L

Q

Q

active site: N151 (= N151), K174 (= K174), E249 (= E248), C283 (= C282), E381 (= E381), A458 (= A458)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: I147 (= I147), L148 (= L148), P149 (= P149), W150 (= W150), K174 (= K174), S176 (= S176), E177 (= E177), R206 (≠ D206), G207 (= G207), G211 (= G210), Q212 (≠ A211), S228 (= S227), A231 (≠ T230), K234 (≠ R233), I235 (= I234), N328 (= N327), R334 (≠ S333), F383 (= F383)

6j76A Structure of 3,6-anhydro-l-galactose dehydrogenase in complex with nap (see paper)
42% identity, 98% coverage: 7:475/477 of query aligns to 2:475/477 of 6j76A

query
sites
6j76A

Y

Y

Q

Q

N

M

F

Y

I

V

N

G

G

G

Q

E

F

W

V

I

-

D

A

A

S

S

A

N

A

G

H

Q

L

T

D

E

-

P

V

V

I

V

N

S

P

P

A

I

T

N

G

E

A

E

V

V

L

L

S

A

K

Y

V

I

P

Q

A

D

S

A

T

D

A

A

D

S

D

D

V

A

D

E

R

R

A

V

L

L

A

A

A

V

A

A

R

T

A

T

A

A

Q

Q

K

K

D

E

W

W

S

A

R

K

K

Q

P

P

A

A

I

R

E

Q

R

R

A

A

G

E

H

V

L

L

R

R

R

K

I

F

A

A

T

Q

K

L

L

I

R

R

E

D

N

N

V

K

A

Q

H

Y

L

L

A

A

R

E

T

L

I

L

T

V

L

K

E

E

Q

Q

G

G

K

K

I

L

S

L

G

K

L

V

A

A

E

L

V

G

E

E

V

V

N

E

F

A

T

T

A

S

D

T

Y

F

L

I

D

E

Y

Y

M

A

A

C

E

D

W

W

A

A

R

R

R

Q

I

M

E

D

G

G

E

D

I

I

I

V

T

K

S

S

D

D

R

N

Q

A

N

N

E

E

N

Q

I

I

F

M

L

I

F

H

R

K

K

I

P

P

L

R

G

G

V

V

A

V

G

A

I
|
I

L
x
T

P
x
A

W
|
W

N
|
N

F

F

P

P

F

L

F

A

L

L

I

A

A

G

R

R

K

K

M

I

A

G

P

P

A

A

L

L

L

V

T

A

G

G

N

N

T

S

I

I

V

V

I

V

K
|
K

P

P

S
x
T

E
x
S

E

E

T

T

P

P

N

L

N

A

C

T

F

L

E

E

F

L

A

G

R

Y

L

L

V

A

A

E

E

Q

T

A

D

G

L

I

P

P

A

A

G

G

V

V

F

L

N

N

V

I

V

V

C

T

G

G

D

G

G
|
G

R

R

-

T

V

L

G
|
G

A

N

A

E

L

L

S

V

A

G

H

H

K

R

D

M

V

T

D

N

M

M

I

V

S

S

F

M

T
|
T

G
|
G

S
|
S

V

T

D

P

T
x
A

G

G

S

Q

R
x
S

I
|
I

M

I

A

R

A

A

A

S

A

A

P

N

N

N

I

M

T

A

K

H

L

V

N

Q

L

L

E
|
E

L
|
L

G

G

K

K

A

A

P

P

A

F

I

I

V

V

L

M

A

E

D

D

A

A

D

D

L

L

D

E

L

Q

A

A

V

A

K

A

A

A

I

A

R

L

D

H

S

S

R

R

I

F

I

D

N

N

S

C

G

G

Q

Q

V

V

C
|
C

N

T

C

C

A

N

E

E

R

R

V

M

Y

Y

V

V

E

H

R

G

K

A

V

V

A

Y

D

D

Q

E

F

F

I

M

E

R

R

I

I

F

A

M

A

G

A

K

M

V

S

E

A

A

T

I

R

K

Y

V

G

G

D

D

P

P

I

M

A

-

Q

D

P

P

D

A

V

S

E

D

M

M

G

G

P

P

L

K

I

V

N

N

R

A

Q

N

G

E

L

L

D

A

S

H

V

M

N

E

Q

E

K

L

V

V

R

A

T

E

A

A

L

V

S

D

Q

E

G

G

A

A

S

T

L

V

I

L

S

F

G

G

Q

K

V

K

A

L

D

E

L

G

P

P

-

E

-

F

-

E

N

K

G

G

Y

F

H

W

F

F

Q

E

P

P

T

T

V

V

L

L

A

T

G

N

C

V

R

T

A

Q

D

D

M

M

E

T

I

I

M

V

R

H

E

E

E
|
E

I

S

F
|
F

G

G

P

P

V

I

L

L

P

P

I

V

Q

I

I

K

V

F

D

D

D

S

L

F

D

D

E

E

A

V

I

I

A

E

M

Y

A

A

N

N

D

D

C

S

D

D

Y

Y

G

G

L

L

T

A

S

A

S

M

I

I

Y

C

T

T

R

Q

D

N

L

M

S

H

K

Y

T

I

M

N

H

R

A

L

M

L

R

T

E

E

L

L

D

E

F

S

G

G

E

E

T

I

Y

Y

V

V

N

N

R

R

E

G

N

H

F

G

E

E

A

Q

M

H

Q

Q

G

G

F

F

H
|
H

A

N

G

G

V

Y

R

K

K

L

S

S

G

G

I

T

G

G

A
x
E

D

D

G

G

K

K

H

Y

G

G

L

F

Y

E

E

Q

Y

Y

T

L

H

E

T

K

H

K

A

T

V

F

Y

Y

L

I

active site: N148 (= N151), E246 (= E248), C280 (= C282), E458 (≠ A458)
binding nadp nicotinamide-adenine-dinucleotide phosphate: I144 (= I147), T145 (≠ L148), A146 (≠ P149), W147 (= W150), N148 (= N151), K171 (= K174), T173 (≠ S176), S174 (≠ E177), G204 (= G207), G208 (= G210), T223 (= T225), G224 (= G226), S225 (= S227), A228 (≠ T230), S231 (≠ R233), I232 (= I234), E246 (= E248), L247 (= L249), C280 (= C282), E381 (= E381), F383 (= F383), H447 (= H447)

5izdA Wild-type glyceraldehyde dehydrogenase from thermoplasma acidophilum in complex with NADP
39% identity, 98% coverage: 10:475/477 of query aligns to 6:475/494 of 5izdA

query
sites
5izdA

F

Y

I

I

N

D

G

G

Q

Q

F

W

V

V

-

N

-

S

A

S

S

S

A

G

A

K

H

T

L

V

D

D

V

K

I

Y

N

S

P

P

A

V

T

T

G

G

A

Q

V

V

L

I

S

G

K

R

V

F

P

E

A

A

S

A

T

T

A

R

D

D

V

V

D

D

R

R

A

A

L

I

A

D

A

A

R

E

A

D

A

A

Q

F

K

W

D

A

W

W

S

N

R

D

K

L

P

G

A

S

I

V

E

E

R

R

A

S

G

K

H

I

L

I

R

Y

R

R

I

A

A

K

T

E

K

L

L

I

R

E

E

K

N

N

V

R

A

A

H

E

L

L

A

E

R

N

T

I

I

I

T

M

L

E

E

E

Q

N

G

G

K

K

I

P

S

V

G

K

L

E

A

A

E

K

V

E

E

E

V

V

N

D

F

G

T

V

A

I

D

D

Y

Q

L

I

D

Q

Y

Y

M

Y

A

A

E

E

W

W

A

A

R

R

R

K

I

L

E

N

G

G

E

E

I

V

T

E

S

G

D

T

R

S

Q

S

N

H

E

R

N

K

I

I

F

F

L

Q

F

Y

R

K

K

V

P

P

L

Y

G

G

V

I

V

V

A

V

G

A

I
x
L

L
x
T

P

P

W
|
W

N
|
N

F

F

P

P

F

A

F

G

L

M

I

V

A

A

R

R

K

K

M

L

A

A

P

P

A

A

L

L

T

T

G

G

N

N

T

T

I

V

V

V

I

L

K
|
K

P
|
P

S
|
S

E
x
S

E

D

T

T

P

P

N

G

N

S

C

A

F

E

E

W

F

I

A

V

R

R

L

K

V

F

A

V

E

E

T

A

D

G

L

V

P

P

A

K

G

G

V

V

F

L

N

N

V

F

V

I

C

T

G

G

D
x
R

G
|
G

-

S

R

E

V

I

G
|
G

A
x
D

A

Y

L

I

S

V

A

E

H

H

K

K

D

K

V

V

D

N

M

L

I

I

S

T

F

M

T

T

G
|
G

S
|
S

V

T

D

A

T
|
T

G

G

S

Q

R

R

I

I

M

M

A

Q

A

K

A

A

A

S

P

A

N

N

I

M

T

A

K

K

L

L

N

I

L

L

E
|
E

L

L

G

G

K

K

A

A

P

P

A

F

I

M

V

V

L

W

A

K

D

D

A

A

D

D

L

M

D

D

L

N

A

A

V

L

K

K

A

T

I

L

R

L

D

W

S

A

R

K

I

Y

I

W

N

N

S

A

G

G

Q

Q

V

S

C
|
C

N

I

C

A

A

A

E

E

R

R

V

L

Y

Y

V

V

E

H

R

E

K

D

V

I

A

Y

D

D

Q

T

F

F

I

M

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S

R

R

I

F

A

V

A

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A

L

M

S

S

R

A

K

T

L

R

A

Y

L

G

G

D

D

P

P

I

-

A

-

Q

-

P

K

D

N

V

A

E

D

M

M

G

G

P

P

L

L

I

I

N

N

R

K

Q

G

G

A

L

L

D

Q

S

A

V

T

N

S

Q

E

K

I

V

V

R

E

T

E

A

A

L

K

S

E

Q

S

G

G

A

A

S

K

L

I

I

L

S

F

G

G

Q

S

V

Q

A

P

D

S

L

L

P

S

-

G

-

P

-

Y

-

R

N

N

G

G

Y

Y

H

F

F

F

Q

L

P

P

T

T

V

I

L

I

A

G

G

N

C

A

R

D

A

Q

D

K

M

S

E

K

I

I

M

F

R

Q

E

E

E
|
E

I

I

F

F

G

A

P

P

V

V

L

I

P

G

I

A

Q

R

I

K

V

I

D

S

L

V

D

E

E

E

A

M

I

Y

A

D

M

L

A

A

N

N

D

D

C

S

D

K

Y

Y

G

G

L

L

T

A

S

S

S

Y

I

L

Y

F

T

T

R

K

D

D

L

P

S

N

K

I

T

I

M

F

H

E

A

A

M

S

R

E

E

R

L

I

D

R

F

F

G

G

E

E

T

L

Y

Y

V

V

N

N

R

M

E

P

N

G

F

P

E

E

A

A

M

S

Q

Q

G

G

F

Y

H

H

A

T

G

G

V

F

R

R

K

M

S

T

G

G

I

Q

G

A

G

G

A
x
E

D

G

G

S

K

K

H

Y

G

G

L

I

Y

S

E

E

Y

Y

T

L

H

K

T

L

H

K

A

N

V

I

Y

Y

L

V

active site: N149 (= N151), K172 (= K174), E247 (= E248), C281 (= C282), E381 (= E381), E458 (≠ A458)
binding nadp nicotinamide-adenine-dinucleotide phosphate: L145 (≠ I147), T146 (≠ L148), W148 (= W150), K172 (= K174), P173 (= P175), S174 (= S176), S175 (≠ E177), R204 (≠ D206), G205 (= G207), G209 (= G210), D210 (≠ A211), G225 (= G226), S226 (= S227), T229 (= T230)

8of1A Structure of aldh5f1 from moss physcomitrium patens in complex with NAD+ in the contracted conformation
38% identity, 98% coverage: 8:475/477 of query aligns to 29:497/505 of 8of1A

query
sites
8of1A

Q

Q

N

G

F

L

I

I

N

G

G

D

Q

K

F

W

V

V

-

D

A

A

S

E

A

N

A

G

H

H

-

T

L

L

D

P

V

V

I

N

N

N

P

P

A

A

T

T

G

G

A

E

V

I

L

L

S

T

K

S

V

V

P

P

A

F

S

M

T

G

A

K

D

R

D

E

V

A

D

E

R

K

A

A

L

I

A

A

R

S

A

Q

A

A

Q

F

K

T

D

S

W

W

S

S

R

K

K

R

P

T

A

A

I

N

E

D

R

R

A

S

G

K

H

I

L

L

R

R

R

Q

I

W

A

F

T

N

K

L

L

L

R

I

E

K

N

N

V

K

A

D

H

D

L

L

A

G

R

K

T

L

I

I

T

V

L

L

E

E

Q

Q

G

G

K

K

I

P

S

L

G

A

L

E

A

A

E

V

V

G

E

E

V

I

N

V

F

Y

T

G

A

A

D

A

Y

F

L

V

D

E

Y

Y

M

Y

A

A

E

E

W

E

A

A

R

K

R

R

I

V

E

Y

G

G

E

D

I

I

T

P

S

S

D

P

R

F

Q

P

N

E

E

K

N

R

I

M

F

L

L

V

F

M

R

K

K

Q

P

P

L

V

G

G

V

V

A

A

G

A

I
|
I

L
x
A

P
|
P

W
|
W

N

N

F

F

P

P

F

L

F

A

L

M

I

I

A

T

R

R

K

K

M

V

A

A

P

P

A

A

L

L

L

A

T

A

G

G

N

C

T

T

I

V

V

V

I

I

K
|
K

P

P

S

S

E

E

E

L

T

T

P

P

N

L

N

T

C

A

F

L

E

A

F

A

A

A

R

E

L

L

V

A

A

L

E

Q

T

A

D

G

L

I

P

P

A

P

G

G

V

V

F

V

N

N

V

V

C

M

G

G

D

D

G
x
A

R

K

-

G

V

I

G

G

A

D

A

A

L

M

S

L

A

D

H

S

K

T

D

E

V

V

D

R

M

K

I

I

S

T

F
|
F

T

T

G
|
G

S
|
S

V

T

D

G

T
x
V

G

G

S

K

R
x
M

I

L

M

L

A

A

A

G

A

A

A

G

P

K

N

T

I

V

T

K

K

K

L

V

N

S

L

L

E

E

L
|
L

G

G

K

N

A

A

P

P

A

C

I

I

V

V

L

F

A

D

D

D

A

A

D

N

L

L

D

D

L

V

A

A

V

V

K

K

A

G

I

V

R

L

D

A

S

G

R

K

I

Y

I

R

N

N

S

S

G

G

Q

Q

V

T

C
|
C

N

V

C

C

A

I

E

N

R

K

V

I

Y

F

V

V

E

Q

R

D

K

G

V

I

A

Y

D

D

Q

K

F

F

I

A

E

E

R

A

I

F

A

A

A

K

A

A

M

V

S

S

A

G

T

L

R

R

Y

A

G

G

D

N

P

G

I

L

A

-

Q

E

P

P

D

G

V

I

E

T

M

Q

G

G

P

P

L

L

I

I

N

N

R

E

Q

T

G

A

L

L

D

E

S
x
K

V

V

N

E

Q

R

K

H

V

V

R

Q

T

D

A

A

L

V

S

S

Q

K

G

G

A

A

S

K

L

V

I

L

S

V

G

G

Q

K

V

R

A

H

D

S

L

L

P

G

N

R

G

T

Y

F

H

-

F

Y

Q

E

P

P

T

T

V

I

L

L

A

G

G

N

C

A

R

S

A

D

D

E

M

M

E

L

I

I

M

F

R

R

E

E

E
|
E

I

V

F
|
F

G

G

P

P

V

V

L

A

P

P

I

L

Q

V

I

R

V

F

D

N

D

T

L

D

D

E

E

E

A

A

I

I

A

K

M

L

A

A

N

N

D

N

C

S

D

E

Y

F

G

G

L

L

T

A

S

A

S

Y

I

A

Y

F

T

T

R

E

D

N

L

I

S

T

K

R

T

G

M

W

H

R

A

V

M

A

R

E

E

S

L

L

D

E

F

F

G

G

E

M

T

V

Y

G

V

L

N

N

R

E

E

G

N

L

F

I

E

S

A

T

M

E

Q

V

G

A

F

P

H

F

A

G

G

G

V

M

R

K

K

Q

S

S

G

G

I

L

G

G

G

R

A

E

D

G

G

S

K

K

H

Y

G

G

L

L

Y

D

E

E

Y

Y

T

L

H

E

T

M

H

K

A

Y

V

V

Y

C

L

L

binding nicotinamide-adenine-dinucleotide: I170 (= I147), A171 (≠ L148), P172 (= P149), W173 (= W150), K197 (= K174), A230 (≠ G207), F248 (= F224), G250 (= G226), S251 (= S227), V254 (≠ T230), M257 (≠ R233), L273 (= L249), C306 (= C282), K356 (≠ S333), E403 (= E381), F405 (= F383)

3jz4A Crystal structure of e. Coli NADP dependent enzyme (see paper)
38% identity, 96% coverage: 8:467/477 of query aligns to 11:471/481 of 3jz4A

query
sites
3jz4A

Q

Q

N

A

F

L

I

I

N

N

G

G

Q

E

F

W

V

L

-

D

-

A

A

N

S

N

A

G

A

E

H

A

L

I

D

D

V

V

I

T

N

N

P

P

A

A

T

N

G

G

A

D

V

K

L

L

S

G

K

S

V

V

P

P

A

K

S

M

T

G

A

A

D

D

D

E

V

T

D

R

R

A

A

A

L

I

A

D

A

A

R

N

A

R

A

A

Q

L

K

P

D

A

W

W

S

R

R

A

K

L

P

T

A

A

I

K

E

E

R

R

A

A

G

T

H

I

L

L

R

R

R

N

I

W

A

F

T

N

K

L

L

M

R

M

E

E

N

H

V

Q

A

D

H

D

L

L

A

A

R

R

T

L

I

M

T

T

L

L

E

E

Q

Q

G

G

K

K

I

P

S

L

G

A

L

E

A

A

E

K

V

G

E

E

V

I

N

S

F

Y

T

A

A

A

D

S

Y

F

L

I

D

E

Y

W

M

F

A

A

E

E

W

E

A

G

R

K

R

R

I

I

E

Y

G

G

E

D

I

T

I

I

T

P

S

G

D

H

R

Q

Q

A

N

D

E

K

N

R

I

L

F

I

L

V

F

I

R

K

K

Q

P

P

L

I

G

G

V

V

V

T

A

A

G

A

I

I

L

T

P
|
P

W
|
W

N
|
N

F

F

P

P

F

A

L

M

I

I

A

T

R

R

K

K

M

A

A

G

P

P

A

A

L

L

L

A

T

A

G

G

N

C

T

T

I

M

V

V

I

L

K
|
K

P

P

S
x
A

E
x
S

E

Q

T

T

P

P

N

F

N

S

C

A

F

L

E

A

F

L

A

A

R

E

L

L

V

A

A

I

E

R

T

A

D

G

L

V

P

P

A

A

G

G

V

V

F

F

N

N

V

V

C

T

G

G

D

S

-
x
A

G

G

R

A

V

V

G
|
G

A

N

A

E

L

L

S

T

A

S

H

N

K

P

D

L

V

V

D

R

M

K

I

L

S

S

F

F

T

T

G
|
G

S
|
S

V

T

D

E

T
x
I

G

G

S

R

R

Q

I

L

M

M

A

E

A

Q

A

C

A

A

P

K

N

D

I

I

T

K

K

K

L

V

N

S

L

L

E
|
E

L

L

G

G

K

N

A

A

P

P

A

F

I

I

V

V

L

F

A

D

D

D

A

A

D

D

L

L

D

D

L

K

A

A

V

V

K

E

A

G

I

A

R

L

D

A

S

S

R

K

I

F

I

R

N

N

S

A

G

G

Q

Q

V

T

C
|
C

N

V

C

C

A

A

E

N

R

R

V

L

Y

Y

V

V

E

Q

R

D

K

G

V

V

A

Y

D

D

Q

R

F

F

I

A

E

E

R

K

I

L

A

Q

A

A

M

M

S

S

A

K

T

L

R

H

Y

I

G

G

D

D

P

G

I

L

A

D

Q

N

P

-

D

G

V

V

E

T

M

I

G

G

P

P

L

L

I

I

N

D

R

E

Q

K

G

A

L

V

D

A

S
x
K

V

V

N

E

Q

E

K

H

V

I

R

A

T

D

A

A

L

L

S

E

Q

K

G

G

A

A

S

R

L

V

I

V

S

C

G

G

Q

K

V

-

A

A

D

H

L

E

P

R

N

G

G

G

Y

N

H

F

F

F

Q

Q

P

P

T

T

V

I

L

L

A

V

G

D

C

V

R

P

A

A

D

N

M

A

E

K

I

V

M

S

R

K

E

E

E
|
E

I

T

F
|
F

G

G

P

P

V

L

L

A

P

P

I

L

Q

F

I

R

V

F

D

K

D

D

L

E

D

A

E

D

A

V

I

I

A

A

M

Q

A

A

N

N

D

D

C

T

D

E

Y

F

G

G

L

L

T

A

S

A

S

Y

I

F

Y

Y

T

A

R

R

D

D

L

L

S

S

K

R

T

V

M

F

H

R

A

V

M

G

R

E

E

A

L

L

D

E

F

Y

G

G

E

I

T

V

Y

G

V

I

N

N

R

T

E

G

N

I

F

I

E

S

A

N

M

E

Q

V

G

A

F

P

H

F

A

G

G

G

V

I

R

K

K

A

S

S

G

G

I

L

G

G

G

R

A
x
E

D

G

G

S

K

K

H

Y

G

G

L

I

Y

E

E

D

Y

Y

active site: N156 (= N151), K179 (= K174), E254 (= E248), C288 (= C282), E385 (= E381), E462 (≠ A458)
binding nadp nicotinamide-adenine-dinucleotide phosphate: P154 (= P149), W155 (= W150), K179 (= K174), A181 (≠ S176), S182 (≠ E177), A212 (vs. gap), G216 (= G210), G232 (= G226), S233 (= S227), I236 (≠ T230), C288 (= C282), K338 (≠ S333), E385 (= E381), F387 (= F383)

P25526 Succinate-semialdehyde dehydrogenase [NADP(+)] GabD; SSDH; Glutarate-semialdehyde dehydrogenase; EC 1.2.1.79; EC 1.2.1.- from Escherichia coli (strain K12) (see paper)
38% identity, 96% coverage: 8:467/477 of query aligns to 12:472/482 of P25526

query
sites
P25526

Q

Q

N

A

F

L

I

I

N

N

G

G

Q

E

F

W

V

L

-

D

-

A

A

N

S

N

A

G

A

E

H

A

L

I

D

D

V

V

I

T

N

N

P

P

A

A

T

N

G

G

A

D

V

K

L

L

S

G

K

S

V

V

P

P

A

K

S

M

T

G

A

A

D

D

D

E

V

T

D

R

R

A

A

A

L

I

A

D

A

A

R

N

A

R

A

A

Q

L

K

P

D

A

W

W

S

R

R

A

K

L

P

T

A

A

I

K

E

E

R

R

A

A

G

T

H

I

L

L

R

R

R

N

I

W

A

F

T

N

K

L

L

M

R

M

E

E

N

H

V

Q

A

D

H

D

L

L

A

A

R

R

T

L

I

M

T

T

L

L

E

E

Q

Q

G

G

K

K

I

P

S

L

G

A

L

E

A

A

E

K

V

G

E

E

V

I

N

S

F

Y

T

A

A

A

D

S

Y

F

L

I

D

E

Y

W

M

F

A

A

E

E

W

E

A

G

R

K

R

R

I

I

E

Y

G

G

E

D

I

T

I

I

T

P

S

G

D

H

R

Q

Q

A

N

D

E

K

N

R

I

L

F

I

L

V

F

I

R

K

K

Q

P

P

L

I

G

G

V

V

V

T

A

A

G

A

I

I

L

T

P

P

W
|
W

N
|
N

F

F

P

P

F

A

L

M

I

I

A

T

R

R

K

K

M

A

A

G

P

P

A

A

L

L

L

A

T

A

G

G

N

C

T

T

I

M

V

V

I

L

K
|
K

P
|
P

S
x
A

E
x
S

E

Q

T

T

P

P

N

F

N

S

C

A

F

L

E

A

F

L

A

A

R

E

L

L

V

A

A

I

E

R

T

A

D

G

L

V

P

P

A

A

G

G

V

V

F

F

N

N

V

V

C

T

G

G

D

S

-

A

G

G

R

A

V

V

G

G

A

N

A

E

L

L

S

T

A

S

H

N

K

P

D

L

V

V

D

R

M

K

I

L

S

S

F

F

T

T

G
|
G

S
|
S

V

T

D

E

T

I

G

G

S

R

R

Q

I

L

M

M

A

E

A

Q

A

C

A

A

P

K

N

D

I

I

T

K

K

K

L

V

N

S

L

L

E

E

L
|
L

G

G

K

N

A

A

P

P

A

F

I

I

V

V

L

F

A

D

D

D

A

A

D

D

L

L

D

D

L

K

A

A

V

V

K

E

A

G

I

A

R

L

D

A

S

S

R

K

I

F

I

R

N

N

S

A

G

G

Q

Q

V

T

C

C

N

V

C

C

A

A

E

N

R

R

V

L

Y

Y

V

V

E

Q

R

D

K

G

V

V

A

Y

D

D

Q

R

F

F

I

A

E

E

R

K

I

L

A

Q

A

A

M

V

S

S

A

K

T

L

R

H

Y

I

G

G

D

D

P

G

I

L

A

D

Q

N

P

-

D

G

V

V

E

T

M

I

G

G

P

P

L

L

I

I

N

D

R

E

Q

K

G

A

L

V

D

A

S

K

V

V

N

E

Q

E

K

H

V

I

R

A

T

D

A

A

L

L

S

E

Q

K

G

G

A

A

S

R

L

V

I

V

S

C

G

G

Q

K

V

-

A

A

D

H

L

E

P

R

N

G

G

G

Y

N

H

F

F

F

Q

Q

P

P

T

T

V

I

L

L

A

V

G

D

C

V

R

P

A

A

D

N

M

A

E

K

I

V

M

S

R

K

E

E

E
|
E

I

T

F

F

G

G

P

P

V

L

L

A

P

P

I

L

Q

F

I

R

V

F

D

K

D

D

L

E

D

A

E

D

A

V

I

I

A

A

M

Q

A

A

N

N

D

D

C

T

D

E

Y

F

G

G

L

L

T

A

S

A

S

Y

I

F

Y

Y

T

A

R

R

D

D

L

L

S

S

K

R

T

V

M

F

H

R

A

V

M

G

R

E

E

A

L

L

D

E

F

Y

G

G

E

I

T

V

Y

G

V

I

N

N

R

T

E

G

N

I

F

I

E

S

A

N

M

E

Q

V

G

A

F

P

H

F

A

G

G

G

V

I

R

K

K

A

S

S

G

G

I

L

G

G

G

R

A

E

D

G

G

S

K

K

H

Y

G

G

L

I

Y

E

E

D

Y

Y

WN 156:157 (= WN 150:151) binding NADP(+)
KPAS 180:183 (≠ KPSE 174:177) binding NADP(+)
GS 233:234 (= GS 226:227) binding NADP(+)
L256 (= L249) binding NADP(+)
E386 (= E381) binding NADP(+)

6wsbA Crystal structure of a betaine aldehyde dehydrogenase from burkholderia pseudomallei bound to cofactor NAD (see paper)
40% identity, 96% coverage: 18:476/477 of query aligns to 19:480/489 of 6wsbA

query
sites
6wsbA

S

S

A

G

A

K

H

T

L

F

D

D

V

T

I

F

N

D

P

P

A

A

T

T

G

G

A

E

V

L

L

L

S

A

K

R

V

V

P

Q

A

Q

S

A

T

S

A

A

D

D

V

V

D

D

R

R

A

A

L

V

A

A

A

S

A

A

R

R

A

E

A

G

Q

Q

K

R

D

E

W

W

S

A

R

A

K

M

P

T

A

A

I

M

E

Q

R

R

A

S

G

R

H

I

L

L

R

R

I

A

A

V

T

E

K

L

L

L

R

R

E

E

N

R

V

N

A

D

H

A

L

L

A

A

R

E

T

L

I

E

T

M

L

R

E

D

Q

T

G

G

K

K

-

P

I

I

S

A

G

E

L

T

A

R

E

A

V

V

E

D

V

I

N

V

F

T

T

G

A

A

D

D

Y

V

L

I

D

E

Y

Y

M

Y

A

A

E

G

W

L

A

A

R

T

R

A

I

I

E

E

G

G

E

-

I

L

I

Q

T

V

S

P

D

L

R

R

Q

P

N

E

E

S

N

F

I

V

F

Y

L

T

F

R

R

R

K

E

P

P

L

L

G

G

V

V

V

C

A

A

G

G

I
|
I

L
x
G

P
x
A

W
|
W

N
|
N

F

Y

P

P

F

I

F

Q

L

I

I

A

A

C

R

W

K

K

M

S

A

A

P

P

A

A

L

L

L

A

T

A

G

G

N

N

T

A

I

M

V

I

I

F

K
|
K

P

P

S

S

E
|
E

E

V

T

T

P

P

N

L

N

S

C

A

F

L

E

K

F

L

A

A

R

E

L

I

V

Y

A

T

E

E

T

A

D

G

L

V

P

P

A

A

G

G

V

V

F

F

N

N

V

V

C

Q

G

G

D

D

G
|
G

R

S

V

V

G
|
G

A
|
A

A

L

L

L

S

S

A

A

H

H

K

P

D

G

V

I

D

A

M

K

I

V

S

S

F
|
F

T
|
T

G
|
G

S
x
G

V

V

D

E

T
|
T

G

G

S

K

R

K

I
x
V

M

M

A

S

-

L

A

A

A

G

A

A

P

S

N

S

I

L

T

K

K

E

L

V

N

T

L

M

E
|
E

L
|
L

G
|
G

G

G

K

K

A

S

P

P

A

L

I

I

V

V

L

F

A

D

D

D

A

A

D

D

L

L

D

D

L

R

A

A

V

A

K

D

A

I

I

A

R

V

D

T

S

A

R

N

I

F

N

S

S

A

G

G

Q

Q

V

V

C
|
C

N

T

C

N

A

G

E

T

R

R

V

V

Y

F

V

V

E

Q

R

Q

K

A

V

V

A

K

D

D

Q

A

F

F

I

V

E

E

R

R

I

V

A

L

A

A

A

R

M

V

S

A

A

R

T

I

R

R

Y

V

G

G

D

K

P

P

I

-

A

S

Q

D

P

S

D

D

V

T

E

N

M

F

G

G

P

P

L

L

I

A

N

S

R

A

Q

A

G

Q

L

L

D

D

S

K

V

V

N

L

Q

G

K

Y

V

I

R

D

T

S

A

G

L

K

S

A

Q

E

G

G

A

A

S

K

L

L

I

L

S

A

G

G

Q

A

-

R

-

L

V

V

A

N

D

D

-

H

L

F

P

A

N

S

G

G

Y

Q

H

Y

F

V

Q

A

P

P

T

T

V

V

L

F

A

G

G

D

C

C

R

R

A

D

D

D

M

M

E

R

I

I

M

V

R

R

E

E

E
|
E

I

I

F
|
F

G

G

P

P

V

V

L

M

P

S

I

I

Q

L

I

S

V

F

D

E

D

T

L

E

D

D

E

E

A

A

I

I

A

A

M

R

A

A

N

N

D

A

C

T

D

D

Y

Y

G

G

L

L

T

A

S

A

S

G

I

V

Y

V

T

T

R

E

D

N

L

L

S

S

K

R

T

A

M

H

H

R

A

A

M

I

R

H

E

R

L

L

D

E

F

A

G

G

E

I

T

C

Y

W

V

I

N

N

R

T

E

W

N

G

F

E

E

S

A

P

M

A

Q

E

G

M

F

P

H

V

A

G

G

G

V

Y

R

K

K

Q

S

S

G

G

I

V

G

G

G

R

A
x
E

D

N

G

G

K

I

H

T

G

T

L

L

Y

E

E

H

Y

Y

T

T

H

R

T

I

H

K

A

S

V

V

Y

Q

L

V

Q

E

active site: N152 (= N151), E250 (= E248), C284 (= C282), E462 (≠ A458)
binding nicotinamide-adenine-dinucleotide: I148 (= I147), G149 (≠ L148), A150 (≠ P149), W151 (= W150), N152 (= N151), K175 (= K174), E178 (= E177), G208 (= G207), G211 (= G210), A212 (= A211), F225 (= F224), T226 (= T225), G227 (= G226), G228 (≠ S227), T231 (= T230), V235 (≠ I234), E250 (= E248), L251 (= L249), G252 (= G250), C284 (= C282), E385 (= E381), F387 (= F383)

O14293 Putative aldehyde dehydrogenase-like protein C9E9.09c; EC 1.2.1.- from Schizosaccharomyces pombe (strain 972 / ATCC 24843) (Fission yeast) (see paper)
38% identity, 98% coverage: 10:476/477 of query aligns to 26:496/503 of O14293

query
sites
O14293

F

F

I

I

N

N

G

N

Q

Q

F

H

V

V

A

D

S

S

-

V

-

H

A

G

H

R

L

V

D

K

V

V

I

Y

N

S

P

P

A

S

T

T

G

E

A

K

V

L

L

I

S

C

K

E

V

V

P

A

A

D

S

A

T

D

A

E

D

E

D

D

V

V

D

D

R

I

A

A

L

V

A

K

A

V

A

A

R

R

A

A

-

F

Q

Q

K

T

D

D

-

A

-

P

W

W

S

R

R

K

K

F

P

S

A

S

I

A

E

Q

R

R

A

G

G

R

H

C

L

L

R

S

R

R

I

L

A

A

T

D

K

C

L

I

R

E

E

Q

N

N

V

L

A

E

H

Y

L

L

A

A

R

S

T

I

I

E

T

T

L

L

E

D

Q

N

G

G

K

K

I

S

S

I

G

T

L

L

A

A

E

R

V

G

E

D

V

V

N

Q

F

A

T

A

A

A

D

D

Y

C

L

F

D

R

Y

Y

M

Y

A

G

E

G

W

W

A

A

R

D

R

K

I

D

E

Y

G

G

E

Q

I

T

I

I

T

E

S

T

D

D

R

I

Q

K

N

-

E

R

N

F

I

A

F

Y

L

T

F

R

R

H

K

E

P

P

L

I

G

G

V

V

V

C

A

G

G

Q

I

I

L

I

P

P

W

W

N

N

F

F

P

P

F

F

F

L

L

M

I

C

A

A

R

W

K

K

M

I

A

A

P

P

A

A

L

V

L

A

T

C

G

G

N

N

T

T

I

I

V

I

I

L

K

K

P

T

S

A

E

E

E

L

T

T

P

P

N

L

N

S

C

A

F

L

E

C

F

L

A

T

R

K

L

F

V

V

A

P

E

E

T

C

D

G

L

F

P

P

A

P

G

G

V

V

F

I

N

N

V

V

V

L

C

S

G

G

D

D

G

G

R

R

-

R

V

C

G

G

A

N

A

A

L

I

S

S

A

S

H

H

K

M

D

D

V

I

D

D

M

K

I

V

S

A

F

F

T

T

G

G

S
|
S

V

T

D

G

T

V

G

G

S

R

R

M

I

V

M

M

-

R

A

A

A

S

P

S

N

N

I

L

T

K

K

K

L

V

N

T

L

L

E

E

L

L

G

G

K

K

A

S

P

P

A

N

I

I

V

V

L

F

A

N

D

D

A

A

D

D

L

L

D

D

L

S

A

A

V

A

K

V

A

W

I

T

R

N

D

Y

S

G

R

I

I

F

I

Y

N

N

S

S

G

G

Q

Q

V

V

C

C

N

C

C

A

A

G

E

S

R

R

V

V

Y

Y

V

V

E

Q

R

E

K

D

V

V

A

Y

D

D

Q

E

F

F

I

I

E

K

R

R

I

M

A

V

A

A

A

K

M

A

S

K

A

T

T

L

R

K

Y

V

G

G

D

D

P

P

I

F

A

A

Q

E

P

-

D

D

V

T

E

F

M

Q

G

G

P

A

L

Q

I

V

N

S

R

K

Q

Q

G

Q

L

Y

D

E

S

R

V

I

N

V

Q

S

K

Y

V

I

R

E

T

S

A

G

L

I

S

A

Q

H

G

G

A

A

S

K

L

L

-

E

I

I

S

G

G

G

G

K

Q

R

V

H

A

G

D

N

L

L

P

-

N

-

G

G

Y

Y

H

F

F

V

Q

E

P

P

T

T

V

I

L

L

A

S

G

N

C

V

R

T

A

E

D

D

M

M

E

A

I

V

M

G

R

K

E

E

I

I

F

F

G

G

P

P

V

V

L

L

P

A

I

V

Q

I

I

K

V

F

D

K

D

T

L

I

D

E

E

E

A

A

I

I

A

R

M

R

A

G

N

N

D

N

C

S

D

T

Y

Y

G

G

L

L

T

A

S

A

S

G

I

V

Y

H

T

T

R

N

D

N

L

I

S

T

K

N

T

A

M

I

H

K

A

V

M

S

R

N

E

A

L

L

D

E

F

A

G

G

E

T

T

V

Y

W

V

V

N

N

R

C

E

Y

N

N

F

L

E

L

A

H

M

H

Q

Q

G

I

F

P

H

F

A

G

G

G

V

Y

R

K

K

E

S

S

G

G

I

I

G

G

G

R

A

E

D

L

G

G

K

S

H

Y

G

G

L

L

Y

T

E

N

Y

Y

T

T

H

Q

T

T

H

K

A

A

V

V

Y

H

L

I

Q

N

S248 (= S227) modified: Phosphoserine

Sites not aligning to the query:

501 modified: Phosphoserine

P17202 Aminoaldehyde dehydrogenase BADH; 4-trimethylammoniobutyraldehyde dehydrogenase BADH; Aminobutyraldehyde dehydrogenase BADH; Betaine aldehyde dehydrogenase; SoBADH; EC 1.2.1.-; EC 1.2.1.47; EC 1.2.1.19; EC 1.2.1.8 from Spinacia oleracea (Spinach) (see 3 papers)
35% identity, 99% coverage: 4:473/477 of query aligns to 5:482/497 of P17202

query
sites
P17202

V

I

P

P

V

A

Y

R

Q

Q

N

L

F

F

I

I

N

D

G

G

Q

E

F

W

-

R

-

E

V

P

A

I

S

K

A

K

A

N

H

R

L

I

D

P

V

V

I
|
I

N

N

P

P

A

S

T

T

G

E

A

E

V

I

L

I

S

G

K

D

V

I

P

P

A

A

S

A

T

T

A

A

D

E

D

D

V

V

D

E

R

V

A

A

L

V

A

V

A

A

R

R

A

R

A

A

-

F

-

R

Q

R

K

N

D

N

W

W

S

S

R

A

K

T

P

S

A

G

I

A

E

H

R

R

A

A

G

T

H

Y

L

L

R

R

R

A

I

I

A

A

T

A

K

K

L

I

R

T

E

E

N

K

V

K

A

D

H

H

L

F

A

V

R

K

T

L

I

E

T

T

L

I

E
x
D

Q

S

G

G

K

K

I

P

S

F

G

D

L

E

A

A

E

V

V

L

E

D

V

I

N

D

F

D

T

V

A

A

D

S

Y

C

L

F

D

E

Y

Y

M

F

A

A

E

G

W

Q

A

A

R

E

R

A

I

L

E

D

G

G

E

K

-

Q

-

K

-

A

I

P

I

V

T

T

S

L

D

P

R

M

Q

E

N

R

E

F

N

K

I

S

F

H

L

V

F

L

R

R

K

Q

P

P

L

L

G

G

V

V

A

G

G

L

I

I

L
x
S

P
|
P

W
|
W

N

N

F
x
Y

P

P

F

L

L

M

I

A

A

T

R
x
W

K

K

M

I

A

A

P

P

A

A

L

L

L

A

T

A

G

G

N

C

T

T

I

A

V

V

I

L

K
|
K

P
|
P

S
|
S

E
|
E

E
x
L

T

A

P

S

N

V

N

T

C

C

F

L

E

E

F

F

A

G

R

E

L

V

V

C

A

N

E

E

T

V

D

G

L

L

P

P

A

P

G

G

V

V

F

L

N

N

V

I

V

L

C

T

G

G

D

L

G

G

R

P

-

D

V

A

G

G

A

A

A

P

L

L

S

V

A

S

H

H

K

P

D

D

V

V

D

D

M

K

I

I

S

A

F

F

T

T

G

G

S
|
S

V
x
S

D
x
A

T
|
T

G

G

S

S

R

K

I

V

M

M

A

A

A

S

A

A

P

Q

N

L

I
x
V

T

K

K

P

L

V

N

T

L

L

E

E

L
|
L

G

G

K

K

A

S

P

P

A

I

I

V

V

V

L

F

A

E

D

D

A

V

D

D

L

I

D

D

L

K

A

V

V

V

K

E

A

W

I

T

R

I

D

F

S

G

R

C

I

F

I
x
W

N

T

S

N

G

G

Q

Q

V

I

C

C

N

S

C

A

A

T

E

S

R

R

V

L

Y

L

V

V

E

H

R

E

K

S

V

I

A

A

D

A

Q

E

F

F

I

V

E

D

R

K

I

L

A

V

A

K

A

W

M

T

S

K

A

N

T

I

R

K

Y

I

G

S

D

D

P

P

I

F

A

E

Q

E

P

-

D

G

V

C

E

R

M

L

G

G

P

P

L

V

I

I

N

S

R

K

Q

G

G

Q

L

Y

D

D

S

K

V

I

N

M

Q

K

K

F

V

I

R

S

T

T

A

A

L

K

S

S

Q

E

G

G

A

A

S

T

L

I

I

L

S

Y

G

G

Q

S

V

R

A

P

D

E

-

H

L

L

P

K

N

K

G

G

Y

Y

H

Y

F

I

Q

E

P

P

T

T

V

I

L

V

A

T

G

D

C

I

R

S

A

T

D

S

M

M

E

Q

I

I

M

W

R

K

E

E

E
|
E

I

V

F

F

G

G

P

P

V

V

L

L

P

C

I

V

Q

K

I

T

V

F

D

S

L

E

D

D

E

E

A

A

I

I

A

A

M

L

A

A

N

N

D

D

C

T

D

E

Y

Y

G

G

L

L

T

A

S

A

I

V

Y

F

T

S

R

N

D

D

L

L

S

E

K

R

T

C

M

E

H

R

A

I

M

T

R

K

E

A

L

L

D

E

F

V

G

G

E
x
A

T

V

Y

W

V

V

N

N

R

C

E

S

N

Q

F

P

E
x
C

A

F

M

V

Q

Q

G

A

F

P

H
x
W

A

G

G

G

V

I

R
x
K

K

R

S

S

G

G

I

F

G

G

G

R

A

E

D

L

G

G

K

E

H

W

G

G

L

I

Y

Q

E

N

Y

Y

T

L

H

N

T

I

H

K

A

Q

V

V

I28 (= I25) binding K(+)
D96 (≠ E91) binding K(+)
SPW 156:158 (≠ LPW 148:150) binding NAD(+)
Y160 (≠ F152) mutation to A: Decreases binding affinity for betaine aldehyde; increases binding affinity for 4-(trimethylamino)butanal.
W167 (≠ R159) mutation to A: Decreases binding affinity for betaine aldehyde; increases binding affinity for 4-aminobutanal.
KPSE 182:185 (= KPSE 174:177) binding NAD(+)
L186 (≠ E178) binding K(+)
SSAT 236:239 (≠ SVDT 227:230) binding NAD(+)
V251 (≠ I242) binding in other chain
L258 (= L249) binding NAD(+)
W285 (≠ I276) mutation to A: Decreases binding affinity for betaine aldehyde.
E390 (= E381) binding NAD(+)
A441 (≠ E432) mutation to I: Decreases binding affinity for betaine aldehyde; increases binding affinity for 4-aminobutanal.
C450 (≠ E441) mutation to S: Loss of partial inactivation by betaine aldehyde in the absence of NAD(+).
W456 (≠ H447) binding NAD(+); mutation to A: Decreases binding affinity for betaine aldehyde.
K460 (≠ R451) binding K(+)

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)
38% identity, 98% coverage: 10:476/477 of query aligns to 10:482/490 of Q9HTJ1

query
sites
Q9HTJ1

F

Y

I

I

N

G

G

G

Q

R

F

Y

V

V

-

E

-

A

A

S

S

S

A

G

A

A

H

T

L

F

D

E

V

T

I

I

N

N

P

P

A

A

T

N

G

G

A

E

V

V

L

L

S

A

K

K

V

V

P

Q

A

R

S

A

T

S

A

R

D

E

D

D

V

V

D

E

R

R

A

A

L

V

A

Q

A

S

A

A

R

V

A

E

A

G

Q

Q

K

K

D

V

W

W

S

A

R

A

K

M

P

T

A

A

I

M

E

Q

R

R

A

S

G

R

H

I

L

L

R

R

I

A

A

V

T

D

K

I

L

L

R

R

E

E

N

R

V

N

A

D

H

E

L

L

A

A

R

A

T

L

I

E

T

T

L

L

E

D

Q

T

G

G

K

K

-

P

I

L

S

A

G

E

L

T

A

R

E

S

V

V

E

D

V

I

N

V

F

T

T

G

A

A

D

D

Y

V

L

L

D

E

Y

Y

M

Y

A

A

E

G

W

L

A

V

R

P

R

A

I

I

E

E

G

G

E

E

I

Q

I

I

T

P

S

L

D

-

R

R

Q

E

N

T

E

S

N

F

I

V

F

Y

L

T

F

R

R

R

K

E

P

P

L

L

G

G

V

V

A

A

G

G

I

I

L
x
G

P
x
A

W
|
W

N
|
N

F

Y

P

P

F

V

F

Q

L

I

I

A

A

L

R

W

K
|
K

M

S

A

A

P

P

A

A

L

L

L

A

T

A

G

G

N

N

T

A

I

M

V

I

I

F

K
|
K

P
|
P

S
|
S

E
|
E

E

V

T

T

P

P

N

L

N

T

C

A

F

L

E

K

F

L

A

A

R

E

L

I

V

Y

A

T

E

E

T

A

D

G

L

V

P

P

A

D

G

G

V

V

F

F

N

N

V

V

V

L

C

T

G

G

D

S

G
|
G

R

R

-

E

V

V

G

G

A

Q

A

W

L

L

S

T

A

E

H

H

K

P

D

L

V

I

D

E

M

K

I

I

S

S

F

F

T

T

G

G

S
x
G

V
x
T

D
x
S

T
|
T

G

G

S

K

R

K

I

V

M

M

A

A

A

S

A

A

A

S

P

S

N

S

-

S

I

L

T

K

K

E

L

V

N

T

L

M

E
|
E

L

L

G

G

K

K

A

S

P

P

A

L

I

I

V

I

L

F

A

P

D

D

A

A

D

D

L

L

D

D

L

R

A

A

V

A

K

D

A

I

I

A

R

V

D

M

S

A

R

N

I

F

N

S

S

S

G

G

Q

Q

V

V

C
|
C

N

T

C

N

A

G

E

T

R

R

V

V

Y

F

V

I

E

H

R

R

K

S

V

Q

A

Q

D

A

Q

R

F

F

I

E

E

A

R

K

I

V

A

L

A

E

A

R

M

V

S

Q

A

R

T

I

R

R

Y

L

G

G

D

D

P

P

I

-

A

Q

Q

D

P

E

D

N

V

T

E

N

M

F

G

G

P

P

L

L

I

V

N

S

R

F

Q

P

G

H

L

M

D

E

S

S

V

V

N

L

Q

G

K

Y

V

I

R

E

T

S

A

G

L

K

S

A

Q

Q

G

K

A

A

S

R

L

L

I

L

S

C

G

G

Q

E

-

R

V

V

A

T

D

D

-

G

-

A

L

F

P

G

N

K

G

G

Y

A

H

Y

F

V

Q

A

P

P

T

T

V

V

L

F

A

T

G

D

C

C

R

R

A

D

D

D

M

M

E

T

I

I

M

V

R

R

E

E

E
|
E

I

I

F

F

G

G

P

P

V

V

L

M

P

S

I

I

Q

L

I

V

V

Y

D

D

L

E

D

D

E

E

A

A

I

I

A

R

M

R

A

A

N

N

D

D

C

T

D

E

Y

Y

G

G

L

L

T

A

S

A

S

G

I

V

Y

V

T

T

R

Q

D

D

L

L

S

A

K

R

T

A

M

H

H

R

A

A

M

I

R

H

E

R

L

L

D

E

F

A

G

G

E

I

T

C

Y

W

V

I

N

N

R

T

E

W

N

G

F

E

E

S

A

P

M

A

Q

E

G

M

F

P

H

V

A

G

G

G

V

Y

R

K

K

Q

S

S

G

G

I

V

G

G

G

R

A
x
E

D

N

G

G

K

L

H

T

G

T

L

L

Y

A

E

H

Y

Y

T

T

H

R

T

I

H

K

A

S

V

V

Y

Q

L

V

Q

E

GAWN 150:153 (≠ LPWN 148:151) binding NADPH
K162 (= K160) active site, Charge relay system
KPSE 176:179 (= KPSE 174:177) binding NADPH
G209 (= G207) binding NADPH
GTST 230:233 (≠ SVDT 227:230) binding NADPH
E252 (= E248) active site, Proton acceptor
C286 (= C282) binding covalent; modified: Cysteine sulfenic acid (-SOH)
E387 (= E381) binding NADPH
E464 (≠ A458) active site, Charge relay system

4cazA Crystal structure of betaine aldehyde dehydrogenase from pseudomonas aeruginosa in complex with nadh
38% identity, 98% coverage: 10:476/477 of query aligns to 9:481/489 of 4cazA

query
sites
4cazA

F

Y

I

I

N

G

G

G

Q

R

F

Y

V

V

-

E

-

A

A

S

S

S

A

G

A

A

H

T

L

F

D

E

V

T

I

I

N

N

P

P

A

A

T

N

G

G

A

E

V

V

L

L

S

A

K

K

V

V

P

Q

A

R

S

A

T

S

A

R

D

E

D

D

V

V

D

E

R

R

A

A

L

V

A

Q

A

S

A

A

R

V

A

E

A

G

Q

Q

K

K

D

V

W

W

S

A

R

A

K

M

P

T

A

A

I

M

E

Q

R

R

A

S

G

R

H

I

L

L

R

R

I

A

A

V

T

D

K

I

L

L

R

R

E

E

N

R

V

N

A

D

H

E

L

L

A

A

R

A

T

L

I

E

T

T

L

L

E

D

Q

T

G

G

K

K

-

P

I

L

S

A

G

E

L

T

A

R

E

S

V

V

E

D

V

I

N

V

F

T

T

G

A

A

D

D

Y

V

L

L

D

E

Y

Y

M

Y

A

A

E

G

W

L

A

V

R

P

R

A

I

I

E

E

G

G

E

E

I

Q

I

I

T

P

S

L

D

-

R

R

Q

E

N

T

E

S

N

F

I

V

F

Y

L

T

F

R

R

R

K

E

P

P

L

L

G

G

V

V

A

A

G

G

I
|
I

L
x
G

P

A

W
|
W

N
|
N

F

Y

P

P

F

V

F

Q

L

I

I

A

A

L

R

W

K

K

M

S

A

A

P

P

A

A

L

L

L

A

T

A

G

G

N

N

T

A

I

M

V

I

I

F

K
|
K

P

P

S

S

E
|
E

E

V

T

T

P

P

N

L

N

T

C

A

F

L

E

K

F

L

A

A

R

E

L

I

V

Y

A

T

E

E

T

A

D

G

L

V

P

P

A

D

G

G

V

V

F

F

N

N

V

V

V

L

C

T

G

G

D

S

G
|
G

R

R

-

E

V

V

G
|
G

A

Q

A

W

L

L

S

T

A

E

H

H

K

P

D

L

V

I

D

E

M

K

I

I

S

S

F
|
F

T
|
T

G
|
G

S
x
G

V

T

D

S

T
|
T

G

G

S

K

R

K

I
x
V

M

M

A

A

A

S

A

A

A

S

P

S

N

S

-

S

I

L

T

K

K

E

L

V

N

T

L

M

E
|
E

L
|
L

G

G

K

K

A

S

P

P

A

L

I

I

V

I

L

F

A

P

D

D

A

A

D

D

L

L

D

D

L

R

A

A

V

A

K

D

A

I

I

A

R

V

D

M

S

A

R

N

I

F

N

S

S

S

G

G

Q

Q

V

V

C
|
C

N

T

C

N

A

G

E

T

R

R

V

V

Y

F

V

I

E

H

R

R

K

S

V

Q

A

Q

D

A

Q

R

F

F

I

E

E

A

R

K

I

V

A

L

A

E

A

R

M

V

S

Q

A

R

T

I

R

R

Y

L

G

G

D

D

P

P

I

-

A

Q

Q

D

P

E

D

N

V

T

E

N

M

F

G

G

P

P

L

L

I

V

N

S

R

F

Q

P

G

H

L

M

D

E

S

S

V

V

N

L

Q

G

K

Y

V

I

R

E

T

S

A

G

L

K

S

A

Q

Q

G

K

A

A

S

R

L

L

I

L

S

C

G

G

Q

E

-

R

V

V

A

T

D

D

-

G

-

A

L

F

P

G

N

K

G

G

Y

A

H

Y

F

V

Q

A

P

P

T

T

V

V

L

F

A

T

G

D

C

C

R

R

A

D

D

D

M

M

E

T

I

I

M

V

R

R

E

E

E
|
E

I

I

F
|
F

G

G

P

P

V

V

L

M

P

S

I

I

Q

L

I

V

V

Y

D

D

L

E

D

D

E

E

A

A

I

I

A

R

M

R

A

A

N

N

D

D

C

T

D

E

Y

Y

G

G

L

L

T

A

S

A

S

G

I

V

Y

V

T

T

R

Q

D

D

L

L

S

A

K

R

T

A

M

H

H

R

A

A

M

I

R

H

E

R

L

L

D

E

F

A

G

G

E

I

T

C

Y

W

V

I

N

N

R

T

E

W

N

G

F

E

E

S

A

P

M

A

Q

E

G

M

F

P

H

V

A

G

G

G

V

Y

R

K

K

Q

S

S

G

G

I

V

G

G

G

R

A
x
E

D

N

G

G

K

L

H

T

G

T

L

L

Y

A

E

H

Y

Y

T

T

H

R

T

I

H

K

A

S

V

V

Y

Q

L

V

Q

E

active site: N152 (= N151), K175 (= K174), E251 (= E248), C285 (= C282), E386 (= E381), E463 (≠ A458)
binding [[(2R,3S,4R,5R)-5-[(3R)-3-aminocarbonyl-3,4-dihydro-2H-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate: I148 (= I147), G149 (≠ L148), W151 (= W150), N152 (= N151), K175 (= K174), E178 (= E177), G208 (= G207), G212 (= G210), F226 (= F224), T227 (= T225), G228 (= G226), G229 (≠ S227), T232 (= T230), V236 (≠ I234), E251 (= E248), L252 (= L249), C285 (= C282), E386 (= E381), F388 (= F383)

2woxA Betaine aldehyde dehydrogenase from pseudomonas aeruginosa with NAD(p) h-catalytic thiol adduct. (see paper)
38% identity, 98% coverage: 10:476/477 of query aligns to 9:481/489 of 2woxA

query
sites
2woxA

F

Y

I

I

N

G

G

G

Q

R

F

Y

V

V

-

E

-

A

A

S

S

S

A

G

A

A

H

T

L

F

D

E

V

T

I

I

N

N

P

P

A

A

T

N

G

G

A

E

V

V

L

L

S

A

K

K

V

V

P

Q

A

R

S

A

T

S

A

R

D

E

D

D

V

V

D

E

R

R

A

A

L

V

A

Q

A

S

A

A

R

V

A

E

A

G

Q

Q

K

K

D

V

W

W

S

A

R

A

K

M

P

T

A

A

I

M

E

Q

R

R

A

S

G

R

H

I

L

L

R

R

I

A

A

V

T

D

K

I

L

L

R

R

E

E

N

R

V

N

A

D

H

E

L

L

A

A

R

A

T

L

I

E

T

T

L

L

E

D

Q

T

G

G

K

K

-

P

I

L

S

A

G

E

L

T

A

R

E

S

V

V

E

D

V

I

N

V

F

T

T

G

A

A

D

D

Y

V

L

L

D

E

Y

Y

M

Y

A

A

E

G

W

L

A

V

R

P

R

A

I

I

E

E

G

G

E

E

I

Q

I

I

T

P

S

L

D

-

R

R

Q

E

N

T

E

S

N

F

I

V

F

Y

L

T

F

R

R

R

K

E

P

P

L

L

G

G

V

V

A

A

G

G

I
|
I

L
x
G

P

A

W
|
W

N
|
N

F

Y

P

P

F

V

F

Q

L

I

I

A

A

L

R

W

K

K

M

S

A

A

P

P

A

A

L

L

L

A

T

A

G

G

N

N

T

A

I

M

V

I

I

F

K
|
K

P

P

S
|
S

E
|
E

E

V

T

T

P

P

N

L

N

T

C

A

F

L

E

K

F

L

A

A

R

E

L

I

V

Y

A

T

E

E

T

A

D

G

L

V

P

P

A

D

G

G

V

V

F

F

N

N

V

V

V

L

C

T

G

G

D

S

G
|
G

R

R

-

E

V

V

G
|
G

A

Q

A

W

L

L

S

T

A

E

H

H

K

P

D

L

V

I

D

E

M

K

I

I

S

S

F
|
F

T
|
T

G
|
G

S
x
G

V

T

D

S

T
|
T

G

G

S

K

R

K

I
x
V

M

M

A

A

A

S

A

A

A

S

P

S

N

S

-

S

I

L

T

K

K

E

L

V

N

T

L

M

E
|
E

L
|
L

G

G

K

K

A

S

P

P

A

L

I

I

V

I

L

F

A

P

D

D

A

A

D

D

L

L

D

D

L

R

A

A

V

A

K

D

A

I

I

A

R

V

D

M

S

A

R

N

I

F

N

S

S

S

G

G

Q

Q

V

V

C
|
C

N

T

C

N

A

G

E

T

R

R

V

V

Y

F

V

I

E

H

R

R

K

S

V

Q

A

Q

D

A

Q

R

F

F

I

E

E

A

R

K

I

V

A

L

A

E

A

R

M

V

S

Q

A

R

T

I

R

R

Y

L

G

G

D

D

P

P

I

-

A

Q

Q

D

P

E

D

N

V

T

E

N

M

F

G

G

P

P

L

L

I

V

N

S

R

F

Q

P

G

H

L

M

D

E

S

S

V

V

N

L

Q

G

K

Y

V

I

R

E

T

S

A

G

L

K

S

A

Q

Q

G

K

A

A

S

R

L

L

I

L

S

C

G

G

Q

E

-

R

V

V

A

T

D

D

-

G

-

A

L

F

P

G

N

K

G

G

Y

A

H

Y

F

V

Q

A

P

P

T

T

V

V

L

F

A

T

G

D

C

C

R

R

A

D

D

D

M

M

E

T

I

I

M

V

R

R

E

E

E
|
E

I

I

F
|
F

G

G

P

P

V

V

L

M

P

S

I

I

Q

L

I

V

V

Y

D

D

L

E

D

D

E

E

A

A

I

I

A

R

M

R

A

A

N

N

D

D

C

T

D

E

Y

Y

G

G

L

L

T

A

S

A

S

G

I

V

Y

V

T

T

R

Q

D

D

L

L

S

A

K

R

T

A

M

H

H

R

A

A

M

I

R

H

E

R

L

L

D

E

F

A

G

G

E

I

T

C

Y

W

V

I

N

N

R

T

E

W

N

G

F

E

E

S

A

P

M

A

Q

E

G

M

F

P

H

V

A

G

G

G

V

Y

R

K

K

Q

S

S

G

G

I

V

G

G

G

R

A
x
E

D

N

G

G

K

L

H

T

G

T

L

L

Y

A

E

H

Y

Y

T

T

H

R

T

I

H

K

A

S

V

V

Y

Q

L

V

Q

E

active site: N152 (= N151), K175 (= K174), E251 (= E248), C285 (= C282), E386 (= E381), E463 (≠ A458)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: I148 (= I147), G149 (≠ L148), W151 (= W150), N152 (= N151), K175 (= K174), S177 (= S176), E178 (= E177), G208 (= G207), G212 (= G210), F226 (= F224), T227 (= T225), G228 (= G226), G229 (≠ S227), T232 (= T230), V236 (≠ I234), E251 (= E248), L252 (= L249), C285 (= C282), E386 (= E381), F388 (= F383)

2wmeA Crystallographic structure of betaine aldehyde dehydrogenase from pseudomonas aeruginosa (see paper)
38% identity, 98% coverage: 10:476/477 of query aligns to 9:481/489 of 2wmeA

query
sites
2wmeA

F

Y

I

I

N

G

G

G

Q

R

F

Y

V

V

-

E

-

A

A

S

S

S

A

G

A

A

H

T

L

F

D

E

V

T

I

I

N

N

P

P

A

A

T

N

G

G

A

E

V

V

L

L

S

A

K

K

V

V

P

Q

A

R

S

A

T

S

A

R

D

E

D

D

V

V

D

E

R

R

A

A

L

V

A

Q

A

S

A

A

R

V

A

E

A

G

Q

Q

K

K

D

V

W

W

S

A

R

A

K

M

P

T

A

A

I

M

E

Q

R

R

A

S

G

R

H

I

L

L

R

R

I

A

A

V

T

D

K

I

L

L

R

R

E

E

N

R

V

N

A

D

H

E

L

L

A

A

R

A

T

L

I

E

T

T

L

L

E

D

Q

T

G

G

K

K

-

P

I

L

S

A

G

E

L

T

A

R

E

S

V

V

E

D

V

I

N

V

F

T

T

G

A

A

D

D

Y

V

L

L

D

E

Y

Y

M

Y

A

A

E

G

W

L

A

V

R

P

R

A

I

I

E

E

G

G

E

E

I

Q

I

I

T

P

S

L

D

-

R

R

Q

E

N

T

E

S

N

F

I

V

F

Y

L

T

F

R

R

R

K

E

P

P

L

L

G

G

V

V

A

A

G

G

I

I

L
x
G

P

A

W
|
W

N
|
N

F

Y

P

P

F

V

F

Q

L

I

I

A

A

L

R

W

K

K

M

S

A

A

P

P

A

A

L

L

L

A

T

A

G

G

N

N

T

A

I

M

V

I

I

F

K
|
K

P

P

S
|
S

E
|
E

E

V

T

T

P

P

N

L

N

T

C

A

F

L

E

K

F

L

A

A

R

E

L

I

V

Y

A

T

E

E

T

A

D

G

L

V

P

P

A

D

G

G

V

V

F

F

N

N

V

V

V

L

C

T

G

G

D

S

G
|
G

R

R

-

E

V

V

G
|
G

A

Q

A

W

L

L

S

T

A

E

H

H

K

P

D

L

V

I

D

E

M

K

I

I

S

S

F
|
F

T

T

G
|
G

S
x
G

V

T

D

S

T
|
T

G

G

S

K

R

K

I
x
V

M

M

A

A

A

S

A

A

A

S

P

S

N

S

-

S

I

L

T

K

K

E

L

V

N

T

L

M

E
|
E

L

L

G

G

K

K

A

S

P

P

A

L

I

I

V

I

L

F

A

P

D

D

A

A

D

D

L

L

D

D

L

R

A

A

V

A

K

D

A

I

I

A

R

V

D

M

S

A

R

N

I

F

N

S

S

S

G

G

Q

Q

V

V

C
|
C

N

T

C

N

A

G

E

T

R

R

V

V

Y

F

V

I

E

H

R

R

K

S

V

Q

A

Q

D

A

Q

R

F

F

I

E

E

A

R

K

I

V

A

L

A

E

A

R

M

V

S

Q

A

R

T

I

R

R

Y

L

G

G

D

D

P

P

I

-

A

Q

Q

D

P

E

D

N

V

T

E

N

M

F

G

G

P

P

L

L

I

V

N

S

R

F

Q

P

G

H

L

M

D

E

S

S

V

V

N

L

Q

G

K

Y

V

I

R

E

T

S

A

G

L

K

S

A

Q

Q

G

K

A

A

S

R

L

L

I

L

S

C

G

G

Q

E

-

R

V

V

A

T

D

D

-

G

-

A

L

F

P

G

N

K

G

G

Y

A

H

Y

F

V

Q

A

P

P

T

T

V

V

L

F

A

T

G

D

C

C

R

R

A

D

D

D

M

M

E

T

I

I

M

V

R

R

E

E

E
|
E

I

I

F

F

G

G

P

P

V

V

L

M

P

S

I

I

Q

L

I

V

V

Y

D

D

L

E

D

D

E

E

A

A

I

I

A

R

M

R

A

A

N

N

D

D

C

T

D

E

Y

Y

G

G

L

L

T

A

S

A

S

G

I

V

Y

V

T

T

R

Q

D

D

L

L

S

A

K

R

T

A

M

H

H

R

A

A

M

I

R

H

E

R

L

L

D

E

F

A

G

G

E

I

T

C

Y

W

V

I

N

N

R

T

E

W

N

G

F

E

E

S

A

P

M

A

Q

E

G

M

F

P

H

V

A

G

G

G

V

Y

R

K

K

Q

S

S

G

G

I

V

G

G

G

R

A
x
E

D

N

G

G

K

L

H

T

G

T

L

L

Y

A

E

H

Y

Y

T

T

H

R

T

I

H

K

A

S

V

V

Y

Q

L

V

Q

E

active site: N152 (= N151), K175 (= K174), E251 (= E248), C285 (= C282), E386 (= E381), E463 (≠ A458)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G149 (≠ L148), W151 (= W150), K175 (= K174), S177 (= S176), E178 (= E177), G208 (= G207), G212 (= G210), F226 (= F224), G228 (= G226), G229 (≠ S227), T232 (= T230), V236 (≠ I234)

4pz2B Structure of zm aldh2-6 (rf2f) in complex with NAD (see paper)
39% identity, 97% coverage: 10:473/477 of query aligns to 14:484/494 of 4pz2B

query
sites
4pz2B

F

F

I

I

N

N

G

G

Q

S

F

F

V

V

-

D

-

A

A

V

S

S

A

G

A

R

H

T

L

F

D

D

V

T

I

R

N

D

P

P

A

R

T

T

G

G

A

G

V

V

L

I

S

A

K

S

V

V

P

A

A

E

S

A

T

D

A

K

D

E

D

D

V

V

D

D

R

L

A

A

L

V

A

R

A

A

R

R

A

A

-

F

-

D

Q

H

K

G

D

E

W

W

S

P

R

R

K

M

P

S

A

G

I

S

E

E

R

R

A

G

G

R

H

I

L

M

R

A

R

R

I

L

A

A

T

D

K

L

L

V

R

E

E

E

N

H

V

A

A

G

H

E

L

L

A

A

R

A

T

L

I

E

T

S

L

L

E

D

Q

A

G

G

K

K

I

H

S

P

G

A

L

V

A

T

E

R

-

A

V

V

E

D

V

V

N

G

F

N

T

A

A

A

D

G

Y

S

L

L

D

R

Y

Y

M

F

A

A

E

G

W

A

A

A

R

D

R

K

I

I

E

H

G

G

E

E

I

T

I

L

T

K

S

M

D

P

R

G

Q

Q

N

F

E

Q

N

G

I

H

F

T

L

L

F

-

R

R

K

E

P

P

L

L

G

G

V

V

V

A

A

G

G

V

I
|
I

L
x
I

P
|
P

W
|
W

N
|
N

F

F

P

P

F

S

F

T

L
x
M

I

F

A

A

R

V

K

K

M

V

A

A

P

P

A

A

L

L

L

A

T

A

G

G

N

C

T

A

I

L

V

V

I

V

K
|
K

P

P

S
x
A

E
|
E

E

Q

T

T

P

P

N

L

N

S

C

A

F

L

E

Y

F

L

A

A

R

Q

L

L

V

A

A

K

E

Q

T

A

D

G

L

V

P

P

A

D

G

G

V

V

F

I

N

N

V

V

C

P

G

G

D

F

G
|
G

-

P

R

T

V

A

G
|
G

A

A

L

L

S

A

A

S

H

H

K

M

D

D

V

V

D

D

M

M

I

V

S

S

F
|
F

T
|
T

G
|
G

S
|
S

V

T

D

E

T
x
V

G

G

S

R

R

L

I

I

M

M

A

K

A

A

A

S

A

A

-

E

P

S

N

N

I

L

T

K

K

P

L

V

N

Y

L

L

E
|
E

L
|
L

G

G

K

K

A

S

P

P

A

L

I

I

V

V

L

F

A

D

D

D

A

A

D

D

L

L

D

D

L

M

A

A

V

V

K

E

A

L

I

A

R

V

D

G

S

A

R

S

I

F

N

N

S

K

G

G

Q

E

V

A

C
|
C

N

V

C

A

A

A

E

S

R

R

V

V

Y

Y

V

V

E

Q

R

E

K

R

V

V

A

Y

D

D

Q

R

F

F

I

E

E

E

R

R

I

L

A

A

A

E

A

R

M

M

S

R

A

S

T

W

R

V

Y

V

G

G

D

D

P

P

I

F

A

S

Q

D

P

P

D

R

V

A

E

D

M

Q

G

G

P

P

L

Q

I

V

N

D

R

K

Q

A

G

Q

L

Y

D

E

S

R

V

V

N

L

Q

S

K

Y

V

I

R

D

T

H

A

G

L

K

S

R

Q

E

G

G

A

A

S

T

L

L

I

L

S

T

G

G

Q

R

-

P

V

C

A

A

D

P

L

E

P

G

N

K

G

G

Y

Y

H

Y

F

I

Q

E

P

P

T

T

V

V

L

F

A

T

G

N

C

V

R

K

A

E

D

D

M

M

E

I

I

I

M

A

R

K

E

E

E
|
E

I

I

F
|
F

G

G

P

P

V

V

L

M

P

C

I

L

Q

M

I

K

V

F

D

K

D

T

L

V

D

E

E

E

A

A

I

I

A

A

M

R

A

A

N

N

D

D

C

T

D

R

Y

Y

G

G

L

L

T

G

S

A

S

G

I

V

Y

V

T

T

R

R

D

D

L

L

S

D

K

V

T

A

M

N

H

R

A

V

M

V

R

R

E

S

L

V

D

R

F

A

G

G

E

V

T

V

Y

W

V

V

N

N

R

C

E

Y

N

F

F

A

E

M

A

G

M

S

Q

D

G

C

F

P

H

F

A

G

G

G

V

R

R

K

K

M

S

S

G

G

I

F

G

G

G

K

A
x
D

D

E

G

G

K

M

H

H

G

A

L

L

Y

D

E

K

Y

Y

T

L

H

A

T

V

H

K

A

S

V

V

active site: N159 (= N151), K182 (= K174), E258 (= E248), C292 (= C282), E392 (= E381), D469 (≠ A458)
binding nicotinamide-adenine-dinucleotide: I155 (= I147), I156 (≠ L148), P157 (= P149), W158 (= W150), N159 (= N151), M164 (≠ L156), K182 (= K174), A184 (≠ S176), E185 (= E177), G215 (= G207), G219 (= G210), F233 (= F224), T234 (= T225), G235 (= G226), S236 (= S227), V239 (≠ T230), E258 (= E248), L259 (= L249), C292 (= C282), E392 (= E381), F394 (= F383)

4v37A Crystal structure of betaine aldehyde dehydrogenase from spinach showing a thiohemiacetal with 3-aminopropionaldehyde
35% identity, 99% coverage: 4:473/477 of query aligns to 3:480/495 of 4v37A

query
sites
4v37A

V

I

P

P

V

A

Y

R

Q

Q

N

L

F

F

I

I

N

D

G

G

Q

E

F

W

-

R

-

E

V

P

A

I

S

K

A

K

A

N

H

R

L

I

D

P

V

V

I

I

N

N

P

P

A

S

T

T

G

E

A

E

V

I

L

I

S

G

K

D

V

I

P

P

A

A

S

A

T

T

A

A

D

E

D

D

V

V

D

E

R

V

A

A

L

V

A

V

A

A

R

R

A

R

A

A

-

F

-

R

Q

R

K

N

D

N

W

W

S

S

R

A

K

T

P

S

A

G

I

A

E

H

R

R

A

A

G

T

H

Y

L

L

R

R

R

A

I

I

A

A

T

A

K

K

L

I

R

T

E

E

N

K

V

K

A

D

H

H

L

F

A

V

R

K

T

L

I

E

T

T

L

I

E

D

Q

S

G

G

K

K

I

P

S

F

G

D

L

E

A

A

E

V

V

L

E

D

V

I

N

D

F

D

T

V

A

A

D

S

Y

C

L

F

D

E

Y

Y

M

F

A

A

E

G

W

Q

A

A

R

E

R

A

I

L

E

D

G

G

E

K

-

Q

-

K

-

A

I

P

I

V

T

T

S

L

D

P

R

M

Q

E

N

R

E

F

N

K

I

S

F

H

L

V

F

L

R

R

K

Q

P

P

L

L

G

G

V

V

A

G

G

L

I
|
I

L
x
S

P
|
P

W
|
W

N
|
N

F

Y

P

P

F

L

L
x
M

I

A

A

T

R

W

K

K

M

I

A

A

P

P

A

A

L

L

L

A

T

A

G

G

N

C

T

T

I

A

V

V

I

L

K
|
K

P

P

S
|
S

E
|
E

E

L

T

A

P

S

N

V

N

T

C

C

F

L

E

E

F

F

A

G

R

E

L

V

V

C

A

N

E

E

T

V

D

G

L

L

P

P

A

P

G

G

V

V

F

L

N

N

V

I

V

L

C

T

G

G

D

L

G
|
G

R

P

-

D

V

A

G
|
G

A
|
A

A

P

L

L

S

V

A

S

H

H

K

P

D

D

V

V

D

D

M

K

I

I

S

A

F

F

T
|
T

G
|
G

S
|
S

V

S

D

A

T
|
T

G

G

S

S

R

K

I

V

M

M

A

A

A

S

A

A

P

Q

N

L

I

V

T

K

K

P

L

V

N

T

L

L

E
|
E

L
|
L

G

G

K

K

A

S

P

P

A

I

I

V

V

V

L

F

A

E

D

D

A

V

D

D

L

I

D

D

L

K

A

V

V

V

K

E

A

W

I

T

R

I

D

F

S

G

R

C

I

F

I

W

N

T

S

N

G

G

Q

Q

V

I

C
x
A

N

S

C

A

A

T

E

S

R

R

V

L

Y

L

V

V

E

H

R

E

K

S

V

I

A

A

D

A

Q

E

F

F

I

V

E

D

R

K

I

L

A

V

A

K

A

W

M

T

S

K

A

N

T

I

R

K

Y

I

G

S

D

D

P

P

I

F

A

E

Q

E

P

-

D

G

V

C

E

R

M

L

G

G

P

P

L

V

I

I

N

S

R

K

Q

G

G

Q

L

Y

D

D

S

K

V

I

N

M

Q

K

K

F

V

I

R

S

T

T

A

A

L

K

S

S

Q

E

G

G

A

A

S

T

L

I

I

L

S

Y

G

G

Q

S

V

R

A

P

D

E

-

H

L

L

P

K

N

K

G

G

Y

Y

H

Y

F

I

Q

E

P

P

T

T

V

I

L

V

A

T

G

D

C

I

R

S

A

T

D

S

M

M

E

Q

I

I

M

W

R

K

E

E

E
|
E

I

V

F
|
F

G

G

P

P

V

V

L

L

P

C

I

V

Q

K

I

T

V

F

D

S

L

E

D

D

E

E

A

A

I

I

A

A

M

L

A

A

N

N

D

D

C

T

D

E

Y

Y

G

G

L

L

T

A

S

A

I

V

Y

F

T

S

R

N

D

D

L

L

S

E

K

R

T

C

M

E

H

R

A

I

M

T

R

K

E

A

L

L

D

E

F

V

G

G

E

A

T

V

Y

W

V

V

N

N

R

C

E

S

N

Q

F

P

E
x
C

A

F

M

V

Q

Q

G

A

F

P

H
x
W

A

G

G

G

V

I

R

K

K

R

S

S

G

G

I

F

G

G

G

R

A
x
E

D

L

G

G

K

E

H

W

G

G

L

I

Y

Q

E

N

Y

Y

T

L

H

N

T

I

H

K

A

Q

V

V

active site: N157 (= N151), K180 (= K174), E255 (= E248), A289 (≠ C282), E388 (= E381), E465 (≠ A458)
binding 3-aminopropan-1-ol: C448 (≠ E441), W454 (≠ H447)
binding nicotinamide-adenine-dinucleotide: I153 (= I147), S154 (≠ L148), P155 (= P149), W156 (= W150), N157 (= N151), M162 (≠ L156), K180 (= K174), S182 (= S176), E183 (= E177), G213 (= G207), G217 (= G210), A218 (= A211), T232 (= T225), G233 (= G226), S234 (= S227), T237 (= T230), E255 (= E248), L256 (= L249), A289 (≠ C282), E388 (= E381), F390 (= F383)

7radA Crystal structure analysis of aldh1b1
36% identity, 99% coverage: 4:476/477 of query aligns to 10:487/493 of 7radA

query
sites
7radA

V

I

P

P

V

Y

Y

N

Q

Q

N

L

F

F

I

I

N

N

G

N

Q

E

F

W

-

Q

-

D

V

A

A

V

S

S

A

K

H

T

L

F

D

P

V

T

I

V

N

N

P

P

A

T

T

T

G

G

A

E

V

V

L

I

S

G

K

H

V

V

P

A

A

E

S

G

T

D

A

R

D

A

D

D

V

V

D

D

R

R

A

A

L

V

A

K

A

A

R

R

A

E

A

A

Q

F

K

R

-

L

-

G

-

S

D

P

W

W

S

R

R

R

K

M

P

D

A

A

I

S

E

E

R

R

A

G

G

R

H

L

L

L

R

N

R

R

I

L

A

A

T

D

K

L

L

V

R

E

E

R

N

D

V

R

A

V

H

Y

L

L

A

A

R

S

T

L

I

E

T

T

L

L

E

D

Q

N

G

G

K

K

-

P

I

F

S

Q

G

E

L

S

A

Y

E

A

V
x
L

E

D

V

L

N

D

F
x
E

T

V

A

I

D

K

Y

V

L

Y

D

R

Y

Y

M

F

A

A

E

G

W

W

A

A

R

D

R

K

I

W

E

H

G

G

E

K

I

T

I

I

T

P

S

M

D

D

R

G

Q

Q

N

H

E

-

N

F

I

C

F

F

L

T

F

R

R

H

K

E

P

P

L

V

G

G

V

V

V

C

A

G

G

Q

I
|
I

L
x
I

P
|
P

W
|
W

N
|
N

F
|
F

P

P

F

L

F

V

L
x
M

I

Q

A

G

R

W

K

K

M

L

A

A

P

P

A

A

L

L

L

A

T

T

G

G

N

N

T

T

I

V

V

V

I

M

K
|
K

P

V

S

A

E
|
E

E

Q

T

T

P

P

N

L

N

S

C

A

F

L

E

Y

F

L

A

A

R

S

L

L

V

I

A

K

E

E

T

A

D

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L

F

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P

A

P

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G

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N

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G

-

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G

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A

A

A

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A

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H

H

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D

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x
V

G

G

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H

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A

A

A

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N

N

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E

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L

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G

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A

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A

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D

A

A

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E

A

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x
E

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F

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G

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C

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A

A

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E

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A

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A

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R

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A

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x
V

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binding nicotinamide-adenine-dinucleotide: I158 (= I147), I159 (≠ L148), P160 (= P149), W161 (= W150), N162 (= N151), M167 (≠ L156), K185 (= K174), E188 (= E177), G218 (= G207), G222 (= G210), A223 (= A211), T237 (= T225), G238 (= G226), S239 (= S227), V242 (≠ T230), E261 (= E248), L262 (= L249), C295 (= C282), E392 (= E381), F394 (= F383)
binding 3-(2-methoxyphenyl)-1-(4-phenylphenyl)-6,7,8,9-tetrahydro-5~{H}-imidazo[1,2-a][1,3]diazepine: L113 (≠ V101), E117 (≠ F105), F163 (= F152), E285 (≠ D272), F289 (≠ I276), N450 (= N439), V452 (≠ E441)

7mjdA Crystal structure analysis of aldh1b1
36% identity, 99% coverage: 4:476/477 of query aligns to 10:487/493 of 7mjdA

query
sites
7mjdA

V

I

P

P

V

Y

Y

N

Q

Q

N

L

F

F

I

I

N

N

G

N

Q

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F

W

-

Q

-

D

V

A

A

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S

A

K

H

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L

F

D

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T

I

V

N

N

P

P

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T

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G

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A

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A

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A

A

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A

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-

L

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W

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M

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D

A

A

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L

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E

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A

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G

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N

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I

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L

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G

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G

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G

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V

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L

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I

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F

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G

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P

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P

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V

F

D

K

L

I

D

E

E

E

A

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E

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R

A

A

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N

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Y

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G

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A

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R

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K

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E

A

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L

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Q

F

A

G

G

E

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T

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Y

W

V

V

N

N

R

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E

Y

N
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N

F

I

E
x
V

A

T

M

C

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H

G

T

F

P

H

F

A

G

G

G

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F

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K

K

E

S

S

G

G

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N

G

G

G

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A

E

D

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G

G

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E

H

D

G

G

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L

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Y

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binding nicotinamide-adenine-dinucleotide: I158 (= I147), I159 (≠ L148), P160 (= P149), W161 (= W150), N162 (= N151), M167 (≠ L156), K185 (= K174), E188 (= E177), G218 (= G207), G222 (= G210), F236 (= F224), T237 (= T225), G238 (= G226), S239 (= S227), V242 (≠ T230), E261 (= E248), L262 (= L249), C295 (= C282), E392 (= E381), F394 (= F383)
binding 8-(2-methoxyphenyl)-10-(4-phenylphenyl)-1$l^{4},8-diazabicyclo[5.3.0]deca-1(7),9-diene: E117 (≠ F105), E285 (≠ D272), F289 (≠ I276), N450 (= N439), V452 (≠ E441)

Query Sequence

>Pf1N1B4_5695 FitnessBrowser__pseudo1_N1B4:Pf1N1B4_5695
MSSVPVYQNFINGQFVASAAHLDVINPATGAVLSKVPASTADDVDRALAAARAAQKDWSR
KPAIERAGHLRRIATKLRENVAHLARTITLEQGKISGLAEVEVNFTADYLDYMAEWARRI
EGEIITSDRQNENIFLFRKPLGVVAGILPWNFPFFLIARKMAPALLTGNTIVIKPSEETP
NNCFEFARLVAETDLPAGVFNVVCGDGRVGAALSAHKDVDMISFTGSVDTGSRIMAAAAP
NITKLNLELGGKAPAIVLADADLDLAVKAIRDSRIINSGQVCNCAERVYVERKVADQFIE
RIAAAMSATRYGDPIAQPDVEMGPLINRQGLDSVNQKVRTALSQGASLISGGQVADLPNG
YHFQPTVLAGCRADMEIMREEIFGPVLPIQIVDDLDEAIAMANDCDYGLTSSIYTRDLSK
TMHAMRELDFGETYVNRENFEAMQGFHAGVRKSGIGGADGKHGLYEYTHTHAVYLQG

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