SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_089136075.1 NCBI__GCF_002217945.1:WP_089136075.1 to proteins with known functional sites using BLASTp with E ≤ 0.001.

Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures

Found 20 (the maximum) hits to proteins with known functional sites (download)

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)
53% identity, 99% coverage: 1:479/485 of query aligns to 1:478/479 of P25553

query
sites
P25553

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M1 (= M1) modified: Initiator methionine, Removed
L150 (= L150) binding NAD(+)
R161 (= R161) binding (S)-lactate
KPSE 176:179 (≠ KPSS 176:179) binding NAD(+)
F180 (≠ D180) mutation to T: Can bind and use NADP(+) as coenzyme. 16-fold increase in catalytic efficiency with NAD(+) as coenzyme.
Q214 (≠ D214) binding NAD(+)
S230 (= S230) binding NAD(+)
E251 (= E251) binding (S)-lactate
N286 (= N286) 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 (≠ K336) binding NAD(+)
E443 (= E444) binding (S)-lactate
H449 (= H450) binding (S)-lactate

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)
53% identity, 98% coverage: 6:479/485 of query aligns to 4:476/477 of 2impA

query
sites
2impA

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active site: N151 (= N153), K174 (= K176), E249 (= E251), C283 (= C285), E381 (= E384), A458 (≠ D461)
binding 1,4-dihydronicotinamide adenine dinucleotide: I147 (= I149), L148 (= L150), P149 (= P151), W150 (= W152), K174 (= K176), E177 (≠ S179), F178 (≠ D180), G207 (= G209), G211 (= G213), Q212 (≠ D214), S228 (= S230), A231 (≠ S233), K234 (≠ H236), R334 (≠ K336)

2iluA Crystal structure of lactaldehyde dehydrogenase from e. Coli: the binary complex with NADPH (see paper)
53% identity, 98% coverage: 6:479/485 of query aligns to 4:476/477 of 2iluA

query
sites
2iluA

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R

R

I

V

Y

Y

V

V

Q

Q

E

K

G

G

V

I

A

Y

D

D

E

Q

F

F

I

V

K

N

K

R

L

L

S

G

A

E

K

A

M

M

S

Q

A

A

I

V

K

Q

V

F

A

G

N

N

P

P

I

A

T

E

D

R

K

N

D

D

S

I

G

A

I

M

G

G

P

P

L

L

I

I

N
|
N

Q

A

A

A

L

L

D

E

K
x
R

V

V

S

E

G

Q

M

K

V

V

D

A

R

R

A

A

V

V

K

E

A

E

G

G

G

A

K

R

I

V

T

A

A

F

G

G

H

K

K

A

V

V

Q

E

I

-

E

G

N

K

G

G

F

Y

Y

Y

E

P

P

P

T

T

V

L

I

L

T

L

N

D

V

V

K

R

Q

Q

D

E

S

M

E

S

I

I

I

M

Q

H

D

E

E
|
E

I

T

F
|
F

G

G

P

P

V

V

L

L

P

P

V

V

T

A

F

F

K

D

T

T

L

L

D

E

D

D

A

A

I

I

E

S

M

M

S

A

N

N

D

D

S

S

D

D

F

Y

G

G

L

L

T

T

S

S

I

I

F

Y

T

T

K

Q

D

N

I

L

D

N

N

V

A

A

Q

M

R

K

A

A

A

I

N

K

E

G

L

L

E

K

D

F

G

G

E

E

T

T

Y

Y

I

I

N

N

R

R

F

E

N

N

F

F

E

E

A

A

M

M

N

Q

G

G

S

F

H

H

S

A

G

G

W

W

K

R

E

K

S

S

G

G

I

I

G

G

D
x
A

D

D

G

G

R

K

H

H

G

G

I

L

D

H

E

E

F

Y

L

L

N

Q

T

T

H

Q

V

V

I

V

Y

Y

L

L

Q

Q

active site: N151 (= N153), K174 (= K176), E249 (= E251), C283 (= C285), E381 (= E384), A458 (≠ D461)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: I147 (= I149), L148 (= L150), P149 (= P151), W150 (= W152), K174 (= K176), S176 (= S178), E177 (≠ S179), R206 (≠ P208), G207 (= G209), G211 (= G213), Q212 (≠ D214), S228 (= S230), A231 (≠ S233), K234 (≠ H236), I235 (≠ V237), N328 (= N330), R334 (≠ K336), F383 (= F386)

2opxA Crystal structure of lactaldehyde dehydrogenase from escherichia coli
53% identity, 98% coverage: 6:479/485 of query aligns to 4:476/477 of 2opxA

query
sites
2opxA

H

Q

Y

H

K

P

M

M

Y

Y

V

I

N

D

G

G

E

Q

F

F

K

V

D

T

S

W

K

R

S

G

G

D

K

A

L

W

L

I

T

D

V

V

I

V

N

N

P

P

S

A

T

T

G

E

E

A

K

V

I

I

S

S

T

R

V

I

P

P

S

D

A

G

T

Q

R

A

E

E

E

D

T

A

Q

R

E

K

A

A

I

I

D

D

D

A

A

A

Y

E

E

R

A

A

E

Q

K

P

T

E

W

W

K

E

F

A

V

L

P

P

A

A

A

I

T

E

R

R

G

A

Q

S

Y

W

L

L

H

R

D

K

V

I

A

S

T

A

E

G

V

I

R

R

K

E

D

R

A

A

D

T

H

E

L

I

I

S

D

A

M

L

L

I

Q

V

E

E

Q

G

G

G

K

K

I

I

R

Q

S

Q

L

L

A

A

T

E

T

V

E

E

I

V

M

A

F
|
F

S

T

A

A

D

D

Y

Y

F

I

D

D

Y

Y

M

M

A

A

S

E

A

W

A

A

R

R

T

R

Y

Y

E

E

G

G

E

E

I

I

L

I

Q

Q

S

S

D

D

N

R

A

P

N

G

E

E

N

N

I

I

M

L

I

L

T

F

K

K

Q

R

P

A

I

L

G

G

V

V

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

G

A

P

P

A

A

L

L

V

L

T

T

G

G

N

N

T

T

I

I

V

V

M

I

K
|
K

P

P

S

S

S

E

D

F

T

T

P

P

N

N

L

N

A

A

L

I

E

A

F

F

A

A

K

K

I

I

V

V

D

D

K

E

I

I

G

G

I

L

P

P

K

R

G

G

V

V

V

F

N

N

F

L

V

V

T

L

G

G

P

R

G

G

S

E

V

T

V

V

G

G

D

Q

E

E

L

L

S

A

K

G

N

N

K

P

K

K

I

V

G

A

I

M

I

V

S

S

L

M

T

T

G

G

S

S

V

V

G

S

S

A

G

G

K

E

H

K

V

I

M

M

A

A

S

T

A

A

T

K

H

N

M

I

A

T

K

K

V

V

S

C

L

L

E
|
E

L

L

G

G

K

K

A

A

P

P

A

A

I

I

V

V

M

M

D

D

A

A

D

D

I

L

D

E

L

L

A

A

V

V

Q

K

S

A

I

I

I

V

D

D

S

S

R

R

V

V

D

I

N

N

N

S

G

G

Q

Q

L

V

C
|
C

N
|
N

N

C

C

A

E

E

R

R

I

V

Y

Y

V

V

Q

Q

E

K

G

G

V

I

A

Y

D

D

E

Q

F

F

I

V

K

N

K

R

L

L

S

G

A

E

K

A

M

M

S

Q

A

A

I

V

K

Q

V
x
F

A
x
G

N

N

P

P

I

A

T

E

D
x
R

K

N

D
|
D

S
x
I

G
x
A

I

M

G

G

P

P

L

L

I

I

N

N

Q

A

A

A

L

L

D

E

K

R

V

V

S

E

G

Q

M

K

V

V

D

A

R

R

A

A

V

V

K

E

A

E

G

G

G

A

K

R

I

V

T

A

A

L

G

G

H

K

K

A

V

V

Q

E

I

-

E

G

N

K

G

G

F

Y

Y
|
Y

Y

Y

E

P

P

P

T

T

V

L

I

L

T

L

N

D

V

V

K

R

Q

Q

D

E

S

M

E

S

I

I

I

M

Q

H

D

E

E
|
E

I

T

F

F

G

G

P

P

V

V

L

L

P

P

V

V

T

A

F

F

K

D

T

T

L

L

D

E

A

A

I

I

E

S

M

M

S

A

N

N

D

D

S

S

D

D

F

Y

G

G

L

L

T

T

S

S

I

I

F

Y

T

T

K

Q

D

N

I

L

D

N

N

V

A

A

Q

M

R

K

A

A

A

I

N

K

E

G

L

L

E

K

D

F

G

G

E

E

T

T

Y

Y

I

I

N

N

R

R

F

E

N

N

F
|
F

E
|
E

A

A

M

M

N

Q

G

G

S

F

H

H

S

A

G

G

W

W

K

R

E

K

S

S

G

G

I

I

G

G

D
x
A

D

D

G

G

R

K

H

H

G

G

I

L

D

H

E

E

F

Y

L

L

N

Q

T

T

H

Q

V

V

I

V

Y

Y

L

L

Q

Q

active site: N151 (= N153), K174 (= K176), E249 (= E251), C283 (= C285), E381 (= E384), A458 (≠ D461)
binding (3alpha,5beta,12alpha)-3,12-dihydroxycholan-24-oic acid: F105 (= F107), F152 (= F154), N284 (= N286), F312 (≠ V314), G313 (≠ A315), R318 (≠ D320), D320 (= D322), I321 (≠ S323), A322 (≠ G324), Y362 (= Y365), F440 (= F443), F440 (= F443), E441 (= E444)

6j76A Structure of 3,6-anhydro-l-galactose dehydrogenase in complex with nap (see paper)
42% identity, 98% coverage: 6:478/485 of query aligns to 1:475/477 of 6j76A

query
sites
6j76A

H

Q

Y

Y

K

Q

M

M

Y

Y

V

V

N

G

G

G

E

E

F

W

K

I

D

D

S

A

K

S

S

N

G

G

K

Q

L

T

L

E

T

P

V

V

I

V

N

S

P

P

S

I

T

N

G

E

E

E

K

V

I

L

S

A

T

Y

V

I

P

Q

S

D

A

A

T

D

R

A

E

S

E

D

T

A

Q

E

E

R

A

V

I

L

D

A

D

V

A

A

Y

T

E

T

A

A

E

Q

K

K

T

E

W

W

K

A

F

K

V

Q

P

P

A

A

A

R

T

Q

R

R

G

A

Q

E

Y

V

L

L

H

R

D

K

V

F

A

A

T

Q

E

L

V

I

R

R

K

D

D

N

A

K

D

Q

H

Y

L

L

I

A

D

E

M

L

L

L

Q

V

E

K

E

E

Q

Q

G

G

K

K

I

L

R

L

S

K

L

V

A

A

T

L

T

G

E

E

I

V

M

E

F

A

S

T

A

S

D

T

Y

F

F

I

D

E

Y

Y

M

A

A

C

S

D

A

W

A

A

R

R

T

Q

Y

M

E

D

G

G

E

D

I

I

L

V

Q

K

S

S

D

D

N

N

A

A

N

N

E

E

N

Q

I

I

M

M

I

I

T

H

K

K

Q

I

P

P

I

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

G

G

P

P

A

A

L

L

V

V

T

A

G

G

N

N

T

S

I

I

V

V

M

V

K
|
K

P

P

S
x
T

S
|
S

D

E

T

T

P

P

N

L

L

A

A

T

L

L

E

E

F

L

A

G

K

Y

I

L

V

A

D

E

K

Q

I

A

G

G

I

I

P

P

K

A

G

G

V

V

V

L

N

N

F

I

V

V

T

T

G

G

P

G

G
|
G

S

R

V

T

V

L

G
|
G

D

N

E

E

L

L

S

V

K

G

N

H

K

R

K

M

I

T

G

N

I

M

I

V

S

S

L

M

T
|
T

G
|
G

S
|
S

V

T

G

P

S
x
A

G

G

K

Q

H
x
S

V
x
I

M

I

A

R

S

A

A

S

A

A

T

N

H

N

M

M

A

A

K

H

V

V

S

Q

L

L

E
|
E

L
|
L

G

G

K

K

A

A

P

P

A

F

I

I

V

V

M

M

D

E

D

D

A

A

D

D

I

L

D

E

L

Q

A

A

V

A

Q

A

S

A

I

A

I

L

D

H

S

S

R

R

V

F

D

D

N

N

N

C

G

G

Q

Q

L

V

C
|
C

N

T

N

C

C

N

E

E

R

R

I

M

Y

Y

V

V

Q

H

E

G

G

A

V

V

A

Y

D

D

E

E

F

F

I

M

K

R

K

I

L

F

S

M

A

G

K

K

M

V

S

E

A

A

I

I

K

K

V

V

A

G

N

D

P

P

I

M

T

-

D

D

K

P

D

A

S

S

G

D

I

M

G

G

P

P

L

K

I

V

N

N

Q

A

A

N

A

E

L

L

D

A

K

H

V

M

S

E

G

E

M

L

V

V

D

A

R

E

A

A

V

V

K

D

A

E

G

G

G

A

K

T

I

V

T

L

A

F

G

G

H

K

K

K

V

L

-

E

-

G

-

P

Q

E

I

F

E

E

N

K

G

G

F

F

Y

W

Y

F

E

E

P

P

T

T

V

V

I

L

T

T

N

N

V

V

K

T

Q

Q

D

D

S

M

E

T

I

I

I

V

Q

H

D

E

E
|
E

I

S

F
|
F

G

G

P

P

V

I

L

L

P

P

V

V

V

I

T

K

F

F

K

D

T

S

L

F

D

D

D

E

A

V

I

I

E

E

M

Y

S

A

N

N

D

D

S

S

D

D

F

Y

G

G

L

L

T

A

S

A

S

M

I

I

F

C

T

T

K

Q

D

N

I

M

D

H

N

Y

A

I

Q

N

R

R

A

L

N

T

E

E

L

L

E

E

D

S

G

G

E

E

T

I

Y

Y

I

V

N

N

R

R

F

G

N

H

F

G

E

E

A

Q

M

H

N

Q

G

G

S

F

H
|
H

S

N

G

G

W

Y

K

K

E

L

S

S

G

G

I

T

G

G

D
x
E

D

D

G

G

R

K

H

Y

G

G

I

F

D

E

E

Q

F

Y

L

L

N

E

T

K

H

K

V

T

I

F

Y

Y

L

I

active site: N148 (= N153), E246 (= E251), C280 (= C285), E458 (≠ D461)
binding nadp nicotinamide-adenine-dinucleotide phosphate: I144 (= I149), T145 (≠ L150), A146 (≠ P151), W147 (= W152), N148 (= N153), K171 (= K176), T173 (≠ S178), S174 (= S179), G204 (= G209), G208 (= G213), T223 (= T228), G224 (= G229), S225 (= S230), A228 (≠ S233), S231 (≠ H236), I232 (≠ V237), E246 (= E251), L247 (= L252), C280 (= C285), E381 (= E384), F383 (= F386), H447 (= H450)

5izdA Wild-type glyceraldehyde dehydrogenase from thermoplasma acidophilum in complex with NADP
37% identity, 97% coverage: 8:478/485 of query aligns to 4:475/494 of 5izdA

query
sites
5izdA

K

K

M

L

Y

Y

V

I

N

D

G

G

E

Q

F

W

K

V

D

N

S

S

K

S

S

S

G

G

K

K

L

T

L

V

T

D

V

K

I

Y

N

S

P

P

S

V

T

T

G

G

E

Q

K

V

I

I

S

G

T

R

V

F

P

E

S

A

A

A

T

T

R

R

E

D

T

V

Q

D

E

R

A

A

I

I

D

D

D

A

A

A

Y

E

E

D

A

A

E

F

K

W

T

A

W

W

K

N

F

D

V

L

P

G

A

S

A

V

T

E

R

R

G

S

Q

K

Y

I

L

I

H

Y

D

R

V

A

A

K

T

E

E

L

V

I

R

E

K

K

D

N

A

R

D

A

H

E

L

L

I

E

D

N

M

I

L

I

Q

M

E

E

Q

N

G

G

K

K

I

P

R

V

S

K

L

E

A

A

T

K

T

E

E

E

I

V

M

D

F

G

S

V

A

I

D

D

Y

Q

F

I

D

Q

Y

Y

M

Y

A

A

S

E

A

W

A

A

R

R

T

K

Y

L

E

N

G

G

E

E

I

V

L

V

Q

E

S

G

D

T

N

S

A

S

N

H

E

R

N

K

I

I

M

F

I

Q

T

Y

K

K

Q

V

P

P

I

Y

G

G

V

I

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

G

A

P

P

A

A

L

L

V

L

T

T

G

G

N

N

T

T

I

V

V

V

M

L

K
|
K

P
|
P

S
|
S

D

D

T

T

P

P

N

G

L

S

A

A

L

E

E

W

F

I

A

V

K

R

I

K

V

F

D

V

K

E

I

A

G

G

I

V

P

P

K

K

G

G

V

V

V

L

N

N

F

F

V

I

T

T

G

G

P
x
R

G
|
G

S

S

V

E

V

I

G
|
G

D
|
D

E

Y

L

I

S

V

K

E

N

H

K

K

I

V

G

N

I

L

I

I

S

T

L

M

T

T

G
|
G

S
|
S

V

T

G

A

S
x
T

G

G

K

Q

H

R

V

I

M

M

A

Q

S

K

A

A

A

S

T

A

H

N

M

M

A

A

K

K

V

L

S

I

L

L

E
|
E

L

L

G

G

K

K

A

A

P

P

A

F

I

M

V

V

M

W

D

K

D

D

A

A

D

D

I

M

D

D

L

N

A

A

V

L

Q

K

S

T

I

L

D

W

S

A

R

K

V

Y

D

W

N

N

N

A

G

G

Q

Q

L

S

C
|
C

N

I

N

A

C

A

E

E

R

R

I

L

Y

Y

V

V

Q

H

E

E

G

D

V

I

A

Y

D

D

E

T

F

F

I

M

K

S

K

R

L

F

S

V

A

E

K

L

M

S

S

R

A

K

I

L

K

A

V

L

A

G

N

D

P

P

I

-

T

-

D

-

K

K

D

N

S

A

G

D

I

M

G

G

P

P

L

L

I

I

N

N

Q

K

A

G

A

A

L

L

D

Q

K

A

V

T

S

S

G

E

M

I

V

V

D

E

R

E

A

A

V

K

K

E

A

S

G

G

G

A

K

K

I

I

T

L

A

F

G

G

H

S

K

Q

V

P

Q

S

I

L

-

S

-

G

-

P

-

Y

E

R

N

N

G

G

F

Y

Y

F

E

L

P

P

T

T

V

I

I

I

T

G

N

N

V

A

K

D

Q

Q

D

K

S

S

E

K

I

I

I

F

Q

Q

D

E

E
|
E

I

I

F

F

G

A

P

P

V

V

L

I

P

G

V

A

V

R

T

K

F

I

K

S

T

S

L

V

D

E

A

M

I

Y

E

D

M

L

S

A

N

N

D

D

S

S

D

K

F

Y

G

G

L

L

T

A

S

S

S

Y

I

L

F

F

T

T

K

K

D

D

I

P

D

N

N

I

A

I

Q

F

R

E

A

A

A

S

N

E

E

R

L

I

E

R

D

F

G

G

E

E

T

L

Y

Y

I

V

N

N

R

M

F

P

N

G

F

P

E

E

A

A

M

S

N

Q

G

G

S

Y

H

H

S

T

G

G

W

F

K

R

E

M

S

T

G

G

I

Q

G

A

G

G

D
x
E

D

G

G

S

R

K

H

Y

G

G

I

I

D

S

E

E

F

Y

L

L

N

K

T

L

H

K

V

N

I

I

Y

Y

L

V

active site: N149 (= N153), K172 (= K176), E247 (= E251), C281 (= C285), E381 (= E384), E458 (≠ D461)
binding nadp nicotinamide-adenine-dinucleotide phosphate: L145 (≠ I149), T146 (≠ L150), W148 (= W152), K172 (= K176), P173 (= P177), S174 (= S178), S175 (= S179), R204 (≠ P208), G205 (= G209), G209 (= G213), D210 (= D214), G225 (= G229), S226 (= S230), T229 (≠ S233)

3jz4A Crystal structure of e. Coli NADP dependent enzyme (see paper)
37% identity, 97% coverage: 2:471/485 of query aligns to 5:472/481 of 3jz4A

query
sites
3jz4A

S

S

E

N

L

L

K

F

H

R

Y

Q

K

Q

M

A

Y

L

V

I

N

N

G

G

E

E

F

W

K

L

D

D

S

A

K

N

S

N

G

G

K

E

L

A

L

I

T

D

V

V

I

T

N

N

P

P

S

A

T

N

G

G

E

D

K

K

I

L

S

G

T

S

V

V

P

P

S

K

A

M

T

G

R

A

E

D

E

E

T

T

Q

R

E

A

A

A

I

I

D

D

D

A

A

A

Y

N

E

R

A

A

E

L

K

P

T

A

W

W

K

R

F

A

V

L

P

T

A

A

A

K

T

E

R

R

G

A

Q

T

Y

I

L

L

H

R

D

N

V

W

A

F

T

N

E

L

V

M

R

M

K

E

D

H

A

Q

D

D

H

D

L

L

I

A

D

R

M

L

L

M

Q

T

E

L

E

E

Q

Q

G

G

K

K

I

P

R

L

S

A

L

E

A

A

T

K

T

G

E

E

I

I

M

S

F

Y

S

A

A

A

D

S

Y

F

F

I

D

E

Y

W

M

F

A

A

S

E

A

E

A

G

R

K

T

R

Y

I

E

Y

G

G

E

D

I

T

L

I

Q

P

S

G

D

H

N

Q

A

A

N

D

E

K

N

R

I

L

M

I

I

V

T

I

K

K

Q

Q

P

P

I

I

G

G

V

V

A

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

G

G

P

P

A

A

L

L

V

A

T

A

G

G

N

C

T

T

I

M

V

V

M

L

K
|
K

P

P

S
x
A

S
|
S

D

Q

T

T

P

P

N

F

L

S

A

A

L

L

E

A

F

L

A

A

K

E

I

L

V

A

D

I

K

R

I

A

G

G

I

V

P

P

K

A

G

G

V

V

V

F

N

N

F

V

V

V

T

T

G

G

P

S

G
x
A

S

G

V

A

V

V

G
|
G

D

N

E

E

L

L

S

T

K

S

N

N

K

P

K

L

I

V

G

R

I

K

I

L

S

S

L

F

T

T

G
|
G

S
|
S

V

T

G

E

S
x
I

G

G

K

R

H

Q

V

L

M

M

A

E

S

Q

A

C

A

A

T

K

H

D

M

I

A

K

K

K

V

V

S

S

L

L

E
|
E

L

L

G

G

K

N

A

A

P

P

A

F

I

I

V

V

M

F

D

D

A

A

D

D

I

L

D

D

L

K

A

A

V

V

Q

E

S

G

I

A

I

L

D

A

S

S

R

K

V

F

D

R

N

N

N

A

G

G

Q

Q

L

T

C
|
C

N

V

N

C

C

A

E

N

R

R

I

L

Y

Y

V

V

Q

Q

E

D

G

G

V

V

A

Y

D

D

E

R

F

F

I

A

K

E

K

K

L

L

S

Q

A

Q

K

A

M

M

S

S

A

K

I

L

K

H

V

I

A

G

N

D

P

G

I

L

T

-

D

D

K

N

D

G

S

V

G

T

I

I

G

G

P

P

L

L

I

I

N

D

Q

E

A

K

A

A

L

V

D

A

K
|
K

V

V

S

E

G

E

M

H

V

I

D

A

R

D

A

A

V

L

K

E

A

K

G

G

G

A

K

R

I

V

T

V

A

C

G

G

H

-

K

K

V

A

Q

H

I

E

E

R

N

G

G

G

F

N

Y

F

E

Q

P

P

T

T

V

I

I

L

T

V

N

D

V

V

K

P

Q

A

D

N

S

A

E

K

I

V

I

S

Q

K

D

E

E
|
E

I

T

F
|
F

G

G

P

P

V

L

L

A

P

P

V

L

V

F

T

R

F

F

K

K

T

D

L

E

D

A

D

D

A

V

I

I

E

A

M

Q

S

A

N

N

D

D

S

T

D

E

F

F

G

G

L

L

T

A

S

A

S

Y

I

F

F

Y

T

A

K

R

D

D

I

L

D

S

N

R

A

V

Q

F

R

R

A

V

A

G

N

E

E

A

L

L

E

E

D

Y

G

G

E

I

T

V

Y

G

I

I

N

N

R

T

F

G

N

I

F

I

E

S

A

N

M

E

N

V

G

A

S

P

H

F

S

G

G

G

W

I

K

K

E

A

S

S

G

G

I

L

G

G

G

R

D
x
E

D

G

G

S

R

K

H

Y

G

G

I

I

D

E

E

D

F

Y

L

L

active site: N156 (= N153), K179 (= K176), E254 (= E251), C288 (= C285), E385 (= E384), E462 (≠ D461)
binding nadp nicotinamide-adenine-dinucleotide phosphate: P154 (= P151), W155 (= W152), K179 (= K176), A181 (≠ S178), S182 (= S179), A212 (≠ G209), G216 (= G213), G232 (= G229), S233 (= S230), I236 (≠ S233), C288 (= C285), K338 (= K336), E385 (= E384), F387 (= F386)

5ek6A Thermostable aldehyde dehydrogenase from pyrobaculum sp. 1860 complexed with NADP and isobutyraldehyde (see paper)
36% identity, 95% coverage: 10:469/485 of query aligns to 4:460/482 of 5ek6A

query
sites
5ek6A

Y

Y

V

I

N

N

G

G

E

E

F

F

K

K

D

E

S

P

K

S

S

T

G

G

K

A

L

F

L

Q

T

V

V

K

I

T

N

S

P

P

S

V

T

D

G

G

E

S

K

K

I

I

S

A

T

E

V

V

P

P

S

R

A

S

T

G

R

R

E

E

E

D

T

A

Q

R

E

E

A

A

I

I

D

D

D

S

A

A

Y

F

E

E

A

A

E

L

K

K

T

A

W

W

K

A

F

N

V

I

P

P

A

A

A

I

T

R

R

R

G

A

Q

E

Y

Y

L

L

H

Y

D

K

V

M

A

L

T

E

E

V

V

F

R

R

K

Q

D

M

A

K

D

E

H

D

L

F

I

M

D

K

M

I

L

L

Q

T

E

V

E

E

Q

G

G

G

K

G

I

T

R

Y

S

R

L

K

A

V

T

W

T

G

E

E

I

V

M

V

F

F

S

T

A

E

D

R

Y

L

F

I

D

Q

Y

N

M

A

A

A

S

E

A

L

A

A

R

R

T

H

Y

Y

E

Q

G

G

E

R

I

V

L

L

Q

Q

S

S

D

D

N

S

A

E

N

S

E

T

N

I

I

S

M

V

I

V

T

F

K

K

Q

R

P

S

I

K

G

G

V

V

A

V

A

G

G

V

I
|
I

L
x
T

P

P

W
|
W

N
|
N

F

Y

P

P

F

L

F

S

L
x
I

I

S

A

M

R
x
K

K

K

M

I

G

A

P

H

A

T

L

L

V

A

T

V

G

G

N

N

T

T

I

V

V

V

M

Y

K
|
K

P

P

S
x
A

S
|
S

D

D

T

T

P

P

N

V

L

T

A

G

L

W

E

L

F

I

A

A

K

Q

I

M

V

V

D

A

K

K

I

A

G

G

I

L

P

P

K

K

G

G

V

V

V

F

N

N

F

L

V

V

T

I

G

G

P
|
P

G
|
G

S

P

V

V

G
|
G

D

E

E

E

L

I

S

V

K

T

N

H

K

K

K

R

I

V

G

A

I

H

I

V

S

T

L
x
F

T
|
T

G
|
G

S
x
E

V

S

G

S

S
x
T

G

G

K

R

H

E

V
x
I

M

A

A

A

S

K

A

A

T

G

H

T

M

L

A

K

K

T

V

V

S

T

L

L

E
|
E

L
|
L

G

G

K

S

A

D

P

P

A

L

I

I

V

I

M

L

D

D

A

V

D

D

I

V

D

D

L

Y

A

A

V

A

Q

R

S

L

I

A

I

V

D

F

S

A

R

S

V

L

D

F

N

H

N

Q

G

G

Q

Q

L

I

C
|
C

N

T

N

S

C

A

E

K

R

R

I

I

Y

I

V

V

Q

H

E

K

G

A

V

V

A

A

D

D

E

K

F

F

I

I

K

E

K

R

L

Y

S

V

A

H

K

Y

M

V

S

K

A

M

I

L

K

R

V

I

A

D

N

D

P

P

I

R

T

K

D

D

K

E

D

K

S

V

G

D

I

L

G

G

P

P

L

L

I

I

N

N

Q

E

A

R

A

Q

L

V

D

A

K

L

V

M

S

K

G

E

M

F

V

V

D

D

R

D

A

A

V

V

K

S

A

R

G

G

K

R

I

L

T

L

A

I

G

G

H

R

K

S

V

W

Q

-

I

-

E

-

N

-

G

G

F

N

Y

F

E

E

P

P

T

A

V

I

I

F

T

V

N

D

V

V

K

D

Q

R

D

N

S

F

E

R

I

I

I

M

Q

R

D

E

E
|
E

I

V

F

F

G

G

P

P

V

V

L

R

P

P

V

I

V

V

T

V

F

V

K

E

T

N

L

D

D

D

D

Q

A

A

I

V

E

E

M

V

S

A

N

N

D

D

S

T

D

D

F

Y

G

G

L

L

T

S

S

G

S

A

I

V

F

L

T

T

K

N

D

N

I

V

D

N

N

R

A

A

Q

F

R

R

A

I

A

A

N

E

E

A

L

V

E

E

D

S

G

G

E

M

T

F

Y

H

I

I

N

N

R

D

F

V

N

T

F

F

-

L

E

E

A

E

M

S

N

H

G

V

S

P

H
x
F

S

G

G

G

W

I

K

K

E

A

S

S

G

G

I

V

G

G

G

R

D
x
E

D

G

G

G

R

E

H

W

G

S

I

F

D

H

E

E

active site: N147 (= N153), K170 (= K176), E245 (= E251), C279 (= C285), E374 (= E384), E452 (≠ D461)
binding 2-methylpropanal: I152 (≠ L158), K155 (≠ R161), T222 (= T228), E245 (= E251), F441 (≠ H450)
binding nadp nicotinamide-adenine-dinucleotide phosphate: I143 (= I149), T144 (≠ L150), W146 (= W152), N147 (= N153), I152 (≠ L158), K170 (= K176), A172 (≠ S178), S173 (= S179), P202 (= P208), G203 (= G209), G207 (= G213), F221 (≠ L227), T222 (= T228), G223 (= G229), E224 (≠ S230), T227 (≠ S233), I231 (≠ V237), E245 (= E251), L246 (= L252), C279 (= C285), E374 (= E384)

4h73A Thermostable aldehyde dehydrogenase from pyrobaculum sp. Complexed with NADP+
36% identity, 95% coverage: 10:469/485 of query aligns to 4:460/482 of 4h73A

query
sites
4h73A

Y

Y

V

I

N

N

G

G

E

E

F

F

K

K

D

E

S

P

K

S

S

T

G

G

K

A

L

F

L

Q

T

V

V

K

I

T

N

S

P

P

S

V

T

D

G

G

E

S

K

K

I

I

S

A

T

E

V

V

P

P

S

R

A

S

T

G

R

R

E

E

E

D

T

A

Q

R

E

E

A

A

I

I

D

D

D

S

A

A

Y

F

E

E

A

A

E

L

K

K

T

A

W

W

K

A

F

N

V

I

P

P

A

A

A

I

T

R

R

R

G

A

Q

E

Y

Y

L

L

H

Y

D

K

V

M

A

L

T

E

E

V

V

F

R

R

K

Q

D

M

A

K

D

E

H

D

L

F

I

M

D

K

M

I

L

L

Q

T

E

V

E

E

Q

G

G

G

K

G

I

T

R

Y

S

R

L

K

A

V

T

W

T

G

E

E

I

V

M

V

F

F

S

T

A

E

D

R

Y

L

F

I

D

Q

Y

N

M

A

A

A

S

E

A

L

A

A

R

R

T

H

Y

Y

E

Q

G

G

E

R

I

V

L

L

Q

Q

S

S

D

D

N

S

A

E

N

S

E

T

N

I

I

S

M

V

I

V

T

F

K

K

Q

R

P

S

I

K

G

G

V

V

A

V

A

G

G

V

I
|
I

L
x
T

P
|
P

W
|
W

N
|
N

F

Y

P

P

F

L

F

S

L

I

I

S

A

M

R

K

K

K

M

I

G

A

P

H

A

T

L

L

V

A

T

V

G

G

N

N

T

T

I

V

V

V

M

Y

K
|
K

P

P

S
x
A

S
|
S

D

D

T

T

P

P

N

V

L

T

A

G

L

W

E

L

F

I

A

A

K

Q

I

M

V

V

D

A

K

K

I

A

G

G

I

L

P

P

K

K

G

G

V

V

V

F

N

N

F

L

V

V

T

I

G

G

P

P

G
|
G

S

P

V

V

G
|
G

D

E

E

E

L

I

S

V

K

T

N

H

K

K

K

R

I

V

G

A

I

H

I

V

S

T

L
x
F

T

T

G
|
G

S
x
E

V

S

G

S

S
x
T

G

G

K

R

H

E

V

I

M

A

A

A

S

K

A

A

T

G

H

T

M

L

A

K

K

T

V

V

S

T

L

L

E
|
E

L

L

G

G

K

S

A

D

P

P

A

L

I

I

V

I

M

L

D

D

A

V

D

D

I

V

D

D

L

Y

A

A

V

A

Q

R

S

L

I

A

I

V

D

F

S

A

R

S

V

L

D

F

N

H

N

Q

G

G

Q

Q

L

I

C
|
C

N

T

N

S

C

A

E

K

R

R

I

I

Y

I

V

V

Q

H

E

K

G

A

V

V

A

A

D

D

E

K

F

F

I

I

K

E

K

R

L

Y

S

V

A

H

K

Y

M

V

S

K

A

M

I

L

K

R

V

I

A

D

N

D

P

P

I

R

T

K

D

D

K

E

D

K

S

V

G

D

I

L

G

G

P

P

L

L

I

I

N

N

Q

E

A

R

A

Q

L

V

D

A

K

L

V

M

S

K

G

E

M

F

V

V

D

D

R

D

A

A

V

V

K

S

A

R

G

G

K

R

I

L

T

L

A

I

G

G

H

R

K

S

V

W

Q

-

I

-

E

-

N

-

G

G

F

N

Y

F

E

E

P

P

T

A

V

I

I

F

T

V

N

D

V

V

K

D

Q

R

D

N

S

F

E

R

I

I

I

M

Q

R

D

E

E
|
E

I

V

F

F

G

G

P

P

V

V

L

R

P

P

V

I

V

V

T

V

F

V

K

E

T

N

L

D

D

D

D

Q

A

A

I

V

E

E

M

V

S

A

N

N

D

D

S

T

D

D

F

Y

G

G

L

L

T

S

S

G

S

A

I

V

F

L

T

T

K

N

D

N

I

V

D

N

N

R

A

A

Q

F

R

R

A

I

A

A

N

E

E

A

L

V

E

E

D

S

G

G

E

M

T

F

Y

H

I

I

N

N

R

D

F

V

N

T

F

F

-

L

E

E

A

E

M

S

N

H

G

V

S

P

H

F

S

G

G

G

W

I

K

K

E

A

S

S

G

G

I

V

G

G

G

R

D
x
E

D

G

G

G

R

E

H

W

G

S

I

F

D

H

E

E

active site: N147 (= N153), K170 (= K176), E245 (= E251), C279 (= C285), E374 (= E384), E452 (≠ D461)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: I143 (= I149), T144 (≠ L150), P145 (= P151), W146 (= W152), K170 (= K176), A172 (≠ S178), S173 (= S179), G203 (= G209), G207 (= G213), F221 (≠ L227), G223 (= G229), E224 (≠ S230), T227 (≠ S233)

5ekcE Thermostable aldehyde dehydrogenase from pyrobaculum sp.1860 complexed with NADP+
36% identity, 95% coverage: 10:469/485 of query aligns to 11:467/490 of 5ekcE

query
sites
5ekcE

Y

Y

V

I

N

N

G

G

E

E

F

F

K

K

D

E

S

P

K

S

S

T

G

G

K

A

L

F

L

Q

T

V

V

K

I

T

N

S

P

P

S

V

T

D

G

G

E

S

K

K

I

I

S

A

T

E

V

V

P

P

S

R

A

S

T

G

R

R

E

E

E

D

T

A

Q

R

E

E

A

A

I

I

D

D

D

S

A

A

Y

F

E

E

A

A

E

L

K

K

T

A

W

W

K

A

F

N

V

I

P

P

A

A

A

I

T

R

R

R

G

A

Q

E

Y

Y

L

L

H

Y

D

K

V

M

A

L

T

E

E

V

V

F

R

R

K

Q

D

M

A

K

D

E

H

D

L

F

I

M

D

K

M

I

L

L

Q

T

E

V

E

E

Q

G

G

G

K

G

I

T

R

Y

S

R

L

K

A

V

T

W

T

G

E

E

I

V

M

V

F

F

S

T

A

E

D

R

Y

L

F

I

D

Q

Y

N

M

A

A

A

S

E

A

L

A

A

R

R

T

H

Y

Y

E

Q

G

G

E

R

I

V

L

L

Q

Q

S

S

D

D

N

S

A

E