SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing Pf6N2E2_1751 Aldehyde dehydrogenase A (EC 1.2.1.22) / Glycolaldehyde dehydrogenase (EC 1.2.1.21) 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)

2opxA Crystal structure of lactaldehyde dehydrogenase from escherichia coli
59% identity, 98% coverage: 9:477/477 of query aligns to 8:477/477 of 2opxA

query
sites
2opxA

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active site: N151 (= N150), K174 (= K173), E249 (= E248), C283 (= C282), E381 (= E381), A458 (= A458)
binding (3alpha,5beta,12alpha)-3,12-dihydroxycholan-24-oic acid: Q97 (≠ E96), L98 (= L97), V101 (= V100), F105 (= F104), F152 (= F151), F155 (= F154), D273 (≠ A272), I277 (= I276), N284 (= N283), F312 (≠ Y311), G313 (= G312), R318 (≠ E317), D320 (≠ G319), I321 (≠ L320), A322 (≠ D321), K359 (≠ Q359), 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)
58% identity, 98% coverage: 9:477/477 of query aligns to 8:477/477 of 2impA

query
sites
2impA

Y

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active site: N151 (= N150), K174 (= K173), E249 (= E248), C283 (= C282), E381 (= E381), A458 (= A458)
binding 1,4-dihydronicotinamide adenine dinucleotide: I147 (= I146), L148 (= L147), P149 (= P148), W150 (= W149), K174 (= K173), P175 (= P174), S176 (= S175), E177 (= E176), F178 (≠ E177), G207 (= G206), E208 (≠ A207), G211 (= G210), Q212 (≠ H211), M225 (≠ F224), G227 (= G226), S228 (= S227), A231 (≠ T230), K234 (≠ R233), I235 (= I234), N328 (= N327), A330 (= A329), R334 (≠ K333)

2iluA Crystal structure of lactaldehyde dehydrogenase from e. Coli: the binary complex with NADPH (see paper)
58% identity, 98% coverage: 9:477/477 of query aligns to 8:477/477 of 2iluA

query
sites
2iluA

Y

Y

I

I

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G

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K

G

V

I

A

Y

D

D

A

Q

F

F

I

V

D

N

G

R

I

L

A

G

A

E

S

A

M

M

A

Q

A

A

T

V

R

Q

Y

F

G

G

D

N

P

P

L

A

A

E

E

R

H

N

G

D

L

I

D

A

M

M

G

G

P

P

L

L

I

I

N
|
N

R

A

A

A

L

L

D

E

K
x
R

V

V

A

E

Q

Q

M

K

V

V

R

A

T

R

A

A

S

V

G

E

Q

E

G

G

A

A

Q

R

I

V

I

A

T

F

G

G

A

K

V

A

A

V

D

E

L

-

G

G

Q

K

G

G

F

Y

H

Y

Y

Y

Q

P

P

P

T

T

V

L

L

L

A

L

G

D

C

V

S

R

A

Q

K

E

M

M

E

S

I

I

M

M

R

H

K

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

L

M

A

A

N

N

D

D

S

S

E

D

Y

Y

G

G

L

L

T

T

S

S

I

I

Y

Y

T

T

A

Q

S

N

L

L

S

N

A

V

A

A

M

M

Q

K

A

A

T

I

R

K

L

G

L

L

D

K

F

F

G

G

E

E

T

T

Y

Y

I

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

T

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

V

V

Y

Y

I

L

Q

Q

A

S

active site: N151 (= N150), K174 (= K173), E249 (= E248), C283 (= C282), E381 (= E381), A458 (= A458)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: I147 (= I146), L148 (= L147), P149 (= P148), W150 (= W149), K174 (= K173), S176 (= S175), E177 (= E176), F178 (≠ E177), R206 (≠ T205), G207 (= G206), E208 (≠ A207), G211 (= G210), Q212 (≠ H211), M225 (≠ F224), G227 (= G226), S228 (= S227), A231 (≠ T230), K234 (≠ R233), I235 (= I234), N328 (= N327), R334 (≠ K333), F383 (= F383)

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)
58% identity, 98% coverage: 9:477/477 of query aligns to 10:479/479 of P25553

query
sites
P25553

Y

Y

I

I

A

D

N

G

A

Q

F

F

V

V

A

T

-

W

-

R

S

G

D

D

E

A

H

W

L

I

E

D

V

V

H

V

N

N

P

P

A

A

N

T

G

E

Q

A

L

V

L

I

G

S

R

R

V

I

P

P

Q

D

G

G

S

Q

T

A

A

E

E

D

V

A

E

R

Q

K

A

A

I

I

A

D

A

A

R

E

Q

R

A

A

Q

Q

R

P

A

E

W

W

A

E

A

A

R

L

P

P

A

A

I

I

E

E

R

R

A

A

G

S

Y

W

L

L

R

R

K

K

I

I

A

S

S

A

K

G

V

I

R

R

E

E

H

R

G

A

E

S

R

E

L

I

A

S

R

A

T

L

I

I

T

V

A

E

E

E

Q

G

G

G

K

K

V

I

L

Q

E

Q

L

L

A

A

R

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

L

Y

E

E

G

G

E

E

V

I

L

I

S

Q

S

S

D

D

R

R

A

P

G

G

E

E

S

N

I

I

F

L

L

L

L

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
x
F

T

T

P

P

I

N

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

T

R

G

G

A

E

T

T

V

V

G

G

H
x
Q

A

E

L

L

S

A

G

G

H

N

P

P

G

K

I

V

D

A

L

M

I

V

S

S

F

M

T

T

G

G

S
|
S

V

V

G

S

T

A

G

G

S

E

R

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

I

V

R

K

A

A

I

I

T

V

A

D

S

S

R

R

V

V

I

I

N

N

T

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

A

Q

F

F

I

V

D

N

G

R

I

L

A

G

A

E

S

A

M

M

A

Q

A

A

T

V

R

Q

Y

F

G

G

D

N

P

P

L

A

A

E

E

R

H

N

G

D

L

I

D

A

M

M

G

G

P

P

L

L

I

I

N

N

R

A

A

A

L

L

D

E

K
x
R

V

V

A

E

Q

Q

M

K

V

V

R

A

T

R

A

A

S

V

G

E

Q

E

G

G

A

A

Q

R

I

V

I

A

T

F

G

G

A

K

V

A

A

V

D

E

L

-

G

G

Q

K

G

G

F

Y

H

Y

Y

Y

Q

P

P

P

T

T

V

L

L

L

A

L

G

D

C

V

S

R

A

Q

K

E

M

M

E

S

I

I

M

M

R

H

K

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

L

M

A

A

N

N

D

D

S

S

E

D

Y

Y

G

G

L

L

T

T

S

S

I

I

Y

Y

T

T

A

Q

S

N

L

L

S

N

A

V

A

A

M

M

Q

K

A

A

T

I

R

K

L

G

L

L

D

K

F

F

G

G

E

E

T

T

Y

Y

I

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

T

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

V

V

Y

Y

I

L

Q

Q

A

S

L150 (= L147) binding
R161 (= R158) binding
KPSE 176:179 (= KPSE 173:176) binding
F180 (≠ E177) mutation to T: Can bind and use NADP(+) as coenzyme. 16-fold increase in catalytic efficiency with NAD(+) as coenzyme.
Q214 (≠ H211) binding
S230 (= S227) binding
E251 (= E248) binding
N286 (= N283) binding ; 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 (≠ K333) binding
E443 (= E441) binding
H449 (= H447) binding

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

6j76A Structure of 3,6-anhydro-l-galactose dehydrogenase in complex with nap (see paper)
40% identity, 99% coverage: 6:475/477 of query aligns to 2:475/477 of 6j76A

query
sites
6j76A

Y

Y

Q

Q

N

M

Y

Y

I

V

A

G

N

G

A

E

F

W

V

I

-

D

A

A

S

S

D

N

E

G

H

Q

L

T

E

E

-

P

V

V

H

V

N

S

P

P

A

I

N

N

G

E

Q

E

L

V

L

L

G

A

R

Y

V

I

P

Q

Q

D

G

A

S

D

T

A

A

S

E

D

V

A

E

E

Q

R

A

V

I

L

A

A

A

V

A

A

R

T

Q

T

A

A

Q

Q

R

K

A

E

W

W

A

A

A

K

R

Q

P

P

A

A

I

R

E

Q

R

R

A

A

G

E

Y

V

L

L

R

R

K

K

I

F

A

A

S

Q

K

L

V

I

R

R

E

D

H

N

G

K

E

Q

R

Y

L

L

A

A

R

E

T

L

I

L

T

V

A

K

E

E

Q

Q

G

G

K

K

V

L

L

L

E

K

L

V

A

A

R

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

L

M

E

D

G

G

E

D

V

I

L

V

S

K

S

S

D

D

R

N

A

A

G

N

E

E

S

Q

I

I

F

M

L

I

L

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

I

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

T
x
G

G
|
G

A
x
R

T

T

V

L

G
|
G

H
x
N

A

E

L

L

S

V

G

G

H

H

P

R

G

M

I

T

D

N

L

M

I

V

S

S

F

M

T
|
T

G
|
G

S
|
S

V

T

G

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

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

I

A

R

A

A

A

I

A

T

L

A

H

S

S

R

R

V

F

I

D

N

N

T

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

A

E

F

F

I

M

D

R

G

I

I

F

A

M

A

G

S

K

M

V

A

E

A

A

T

I

R

K

Y

V

G

G

D

D

P

P

L

M

A

-

E

D

H

P

G

A

L

S

D

D

M

M

G

G

P

P

L

K

I

V

N

N

R

A

A

N

A

E

L

L

D

A

K

H

V

M

A

E

Q

E

M

L

V

V

R

A

T

E

A

A

S

V

G

D

Q

E

G

G

A

A

Q

T

I

V

I

L

T

F

G

G

A

K

V

K

-

L

-

E

-

G

A

P

D

E

L

F

G

E

Q

K

G

G

F

F

H

W

Y

F

Q

E

P

P

T

T

V

V

L

L

A

T

G

N

C

V

S

T

A

Q

K

D

M

M

E

T

I

I

M

V

R

H

K

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

L

Y

A

A

N

N

D

D

S

S

E

D

Y

Y

G

G

L

L

T

A

S

A

S

M

I

I

Y

C

T

T

A

Q

S

N

L

M

S

H

A

Y

A

I

M

N

Q

R

A

L

T

L

R

T

L

E

L

L

D

E

F

S

G

G

E

E

T

I

Y

Y

I

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

T

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

V

T

V

F

Y

Y

I

I

active site: N148 (= N150), E246 (= E248), C280 (= C282), E458 (≠ A458)
binding nadp nicotinamide-adenine-dinucleotide phosphate: I144 (= I146), T145 (≠ L147), A146 (≠ P148), W147 (= W149), N148 (= N150), K171 (= K173), P172 (= P174), T173 (≠ S175), S174 (≠ E176), G203 (≠ T205), G204 (= G206), R205 (≠ A207), G208 (= G210), N209 (≠ H211), T223 (= T225), G224 (= G226), S225 (= S227), A228 (≠ T230), S231 (≠ R233), I232 (= I234), E246 (= E248), L247 (= L249), G248 (= G250), C280 (= C282), E381 (= E381), F383 (= F383), H447 (= H447)

5izdA Wild-type glyceraldehyde dehydrogenase from thermoplasma acidophilum in complex with NADP
37% identity, 98% coverage: 9:475/477 of query aligns to 6:475/494 of 5izdA

query
sites
5izdA

Y

Y

I

I

A

D

N

G

A

Q

F

W

V

V

-

N

-

S

A

S

S

S

D

G

E

K

H

T

L

V

E

D

V

K

H

Y

N

S

P

P

A

V

N

T

G

G

Q

Q

L

V

L

I

G

G

R

R

V

F

P

E

Q

A

G

A

S

T

T

R

A

D

E

D

V

V

E

D

Q

R

A

A

I

I

A

D

A

A

R

E

Q

D

A

A

Q

F

R

W

A

A

W

W

A

N

A

D

R

L

P

G

A

S

I

V

E

E

R

R

A

S

G

K

Y

I

L

I

R

Y

K

R

I

A

A

K

S

E

K

L

V

I

R

E

E

K

H

N

G

R

E

A

R

E

L

L

A

E

R

N

T

I

I

I

T

M

A

E

E

E

Q

N

G

G

K

K

V

P

L

V

E

K

L

E

A

A

R

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

L

L

E

N

G

G

E

E

V

V

L

V

S

E

S

G

D

T

R

S

A

S

G

H

E

R

S

K

I

I

F

F

L

Q

L

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

I

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

T
x
R

G
|
G

A

S

T

E

V

I

G
|
G

H
x
D

A

Y

L

I

S

V

G

E

H

H

P

K

G

K

I

V

D

N

L

L

I

I

S

T

F

M

T
|
T

G
|
G

S
|
S

V

T

G

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

I

L

R

K

A

T

I

L

T

L

A

W

S

A

R

K

V

Y

I

W

N

N

T

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

A

T

F

F

I

M

D

S

G

R

I

F

A

V

A

E

S

L

M

S

A

R

A

K

T

L

R

A

Y

L

G

G

D

D

P

P

L

-

A

-

E

-

H

K

G

N

L

A

D

D

M

M

G

G

P

P

L

L

I

I

N

N

R

K

A

G

A

A

L

L

D

Q

K

A

V

T

A

S

Q

E

M

I

V

V

R

E

T

E

A

A

S

K

G

E

Q

S

G

G

A

A

Q

K

I

I

I

L

T

F

G

G

A

S

V

Q

A

P

D

S

L

L

G

S

-

G

-

P

-

Y

-

R

Q

N

G

G

F

Y

H

F

Y

F

Q

L

P

P

T

T

V

I

L

I

A

G

G

N

C

A

S

D

A

Q

K

K

M

S

E

K

I

I

M

F

R

Q

K

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

L

L

A

A

N

N

D

D

S

S

E

K

Y

Y

G

G

L

L

T

A

S

S

S

Y

I

L

Y

F

T

T

A

K

S

D

L

P

S

N

A

I

M

F

Q

E

A

A

T

S

R

E

L

R

L

I

D

R

F

F

G

G

E

E

T

L

Y

Y

I

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

T

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

V

N

V

I

Y

Y

I

V

active site: N149 (= N150), K172 (= K173), E247 (= E248), C281 (= C282), E381 (= E381), E458 (≠ A458)
binding nadp nicotinamide-adenine-dinucleotide phosphate: L145 (≠ I146), T146 (≠ L147), W148 (= W149), K172 (= K173), P173 (= P174), S174 (= S175), S175 (≠ E176), R204 (≠ T205), G205 (= G206), G209 (= G210), D210 (≠ H211), T224 (= T225), G225 (= G226), S226 (= S227), T229 (= T230), R232 (= R233), I233 (= I234)

3jz4A Crystal structure of e. Coli NADP dependent enzyme (see paper)
38% identity, 96% coverage: 19:475/477 of query aligns to 25:479/481 of 3jz4A

query
sites
3jz4A

E

E

H

A

L

I

E

D

V

V

H

T

N

N

P

P

A

A

N

N

G

G

Q

D

L

K

L

L

G

G

R

S

V

V

P

P

Q

K

G

M

S

G

T

A

A

D

E

E

V

T

E

R

Q

A

A

A

I

I

A

D

A

A

R

N

Q

R

A

A

Q

L

R

P

A

A

W

W

A

R

A

A

R

L

P

T

A

A

I

K

E

E

R

R

A

A

G

T

Y

I

L

L

R

R

K

N

I

W

A

F

S

N

K

L

V

M

R

M

E

E

H

H

G

Q

E

D

R

D

L

L

A

A

R

R

T

L

I

M

T

T

A

L

E

E

Q

Q

G

G

K

K

V

P

L

L

E

A

L

E

A

A

R

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

L

I

E

Y

G

G

E

D

V

T

L

I

S

P

S

G

D

H

R

Q

A

A

G

D

E

K

S

R

I

L

F

I

L

V

L

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

I

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

T
x
S

G
x
A

A
x
G

T

A

V

V

G
|
G

H

N

A

E

L

L

S

T

G

S

H

N

P

P

G

L

I

V

D

R

L

K

I

L

S

S

F
|
F

T
|
T

G
|
G

S
|
S

V

T

G

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

I

V

R

E

A

G

I

A

T

L

A

A

S

S

R

K

V

F

I

R

N

N

T

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

A

R

F

F

I

A

D

E

G

K

I

L

A

Q

S

A

M

M

A

S

A

K

T

L

R

H

Y

I

G

G

D

D

P

G

L

L

A

-

E

D

H

N

G

G

L

V

D

T

M

I

G

G

P

P

L

L

I

I

N

D

R

E

A

K

A

A

L

V

D

A

K
|
K

V

V

A

E

Q

E

M

H

V

I

R

A

T

D

A

A

S

L

G

E

Q

K

G

G

A

A

Q

R

I

V

T

C

G

G

A

K

V

A

A

H

D

E

L

R

G

G

Q

G

G

N

F

F

H

-

Y

F

Q

Q

P

P

T

T

V

I

L

L

A

V

G

D

C

V

S

P

A

A

K

N

M

A

E

K

I

V

M

S

R

K

K

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

L

Q

A

A

N

N

D

D

S

T

E

E

Y

F

G

G

L

L

T

A

S

A

S

Y

I

F

Y

Y

T

A

A

R

S

D

L

L

S

S

A

R

A

V

M

F

Q

R

A

V

T

G

R

E

L

A

L

L

D

E

F

Y

G

G

E

I

T

V

Y

G

I

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

T

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

T

L

H

E

T

I

H

K

V

Y

V

M

Y

C

I

I

active site: N156 (= N150), K179 (= K173), E254 (= E248), C288 (= C282), E385 (= E381), E462 (≠ A458)
binding nadp nicotinamide-adenine-dinucleotide phosphate: I152 (= I146), P154 (= P148), W155 (= W149), N156 (= N150), K179 (= K173), A181 (≠ S175), S182 (≠ E176), S211 (≠ T205), A212 (≠ G206), G213 (≠ A207), G216 (= G210), F230 (= F224), T231 (= T225), G232 (= G226), S233 (= S227), I236 (≠ T230), E254 (= E248), L255 (= L249), C288 (= C282), K338 (= K333), 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: 19:475/477 of query aligns to 26:480/482 of P25526

query
sites
P25526

E

E

H

A

L

I

E

D

V

V

H

T

N

N

P

P

A

A

N

N

G

G

Q

D

L

K

L

L

G

G

R

S

V

V

P

P

Q

K

G

M

S

G

T

A

A

D

E

E

V

T

E

R

Q

A

A

A

I

I

A

D

A

A

R

N

Q

R

A

A

Q

L

R

P

A

A

W

W

A

R

A

A

R

L

P

T

A

A

I

K

E

E

R

R

A

A

G

T

Y

I

L

L

R

R

K

N

I

W

A

F

S

N

K

L

V

M

R

M

E

E

H

H

G

Q

E

D

R

D

L

L

A

A

R

R

T

L

I

M

T

T

A

L

E

E

Q

Q

G

G

K

K

V

P

L

L

E

A

L

E

A

A

R

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

L

I

E

Y

G

G

E

D

V

T

L

I

S

P

S

G

D

H

R

Q

A

A

G

D

E

K

S

R

I

L

F

I

L

V

L

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

I

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

T

S

G

A

A

G

T

A

V

V

G

G

H

N

A

E

L

L

S

T

G

S

H

N

P

P

G

L

I

V

D

R

L

K

I

L

S

S

F

F

T

T

G
|
G

S
|
S

V

T

G

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

I

V

R

E

A

G

I

A

T

L

A

A

S

S

R

K

V

F

I

R

N

N

T

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

A

R

F

F

I

A

D

E

G

K

I

L

A

Q

S

A

M

V

A

S

A

K

T

L

R

H

Y

I

G

G

D

D

P

G

L

L

A

-

E

D

H

N

G

G

L

V

D

T

M

I

G

G

P

P

L

L

I

I

N

D

R

E

A

K

A

A

L

V

D

A

K

K

V

V

A

E

Q

E

M

H

V

I

R

A

T

D

A

A

S

L

G

E

Q

K

G

G

A

A

Q

R

I

V

T

C

G

G

A

K

V

A

A

H

D

E

L

R

G

G

Q

G

G

N

F

F

H

-

Y

F

Q

Q

P

P

T

T

V

I

L

L

A

V

G

D

C

V

S

P

A

A

K

N

M

A

E

K

I

V

M

S

R

K

K

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

L

Q

A

A

N

N

D

D

S

T

E

E

Y

F

G

G

L

L

T

A

S

A

S

Y

I

F

Y

Y

T

A

A

R

S

D

L

L

S

S

A

R

A

V

M

F

Q

R

A

V

T

G

R

E

L

A

L

L

D

E

F

Y

G

G

E

I

T

V

Y

G

I

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

T

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

T

L

H

E

T

I

H

K

V

Y

V

M

Y

C

I

I

WN 156:157 (= WN 149:150) binding
KPAS 180:183 (≠ KPSE 173:176) binding
GS 233:234 (= GS 226:227) binding
L256 (= L249) binding
E386 (= E381) binding

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, 95% coverage: 20:473/477 of query aligns to 24:482/497 of P17202

query
sites
P17202

H

R

L

I

E

P

V

V

H
x
I

N

N

P

P

A

S

N

T

G

E

Q

E

L

I

G

G

R

D

V

I

P

P

Q

A

G

A

S

T

T

A

A

E

E

D

V

V

E

E

Q

V

A

A

I

V

A

V

A

A

R

R

Q

R

A

A

Q

F

R

R

-

R

-

N

A

N

W

W

A

S

A

A

R

T

P

S

A

G

I

A

E

H

R

R

A

A

G

T

Y

Y

L

L

R

R

K

A

I

I

A

A

S

A

K

K

V

I

R

T

E

E

H

K

G

K

E

D

R

H

L

F

A

V

R

K

T

L

I

E

T

T

A

I

E
x
D

Q

S

G

G

K

K

V

P

L

F

E

D

L

E

A

A

R

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

L

L

E

D

G

G

E

K

-

Q

-

K

-

A

-

P

-

V

V

T

L

L

S

P

S

M

D

E

R

R

A

F

G

K

E

S

S

H

I

V

F

-

L

-

L

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

I

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

T

L

G

G

A

P

T

D

V

A

G

G

H

A

A

P

L

L

S

V

G

S

H

H

P

P

G

D

I

V

D

D

L

K

I

I

S

A

F

F

T

T

G

G

S
|
S

V
x
S

G
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

I

V

R

E

A

W

I

T

T

I

A

F

S

G

R

C

V

F

I
x
W

N

T

T

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

A

E

F

F

I

V

D

D

G

K

I

L

A

V

A

K

S

W

M

T

A

K

A

N

T

I

R

K

Y

I

G

S

D

D

P

P

L

F

A

-

E

E

H

E

G

G

L

C

D

R

M

L

G

G

P

P

L

V

I

I

N

S

R

K

A

G

A

Q

L

Y

D

D

K

K

V

I

A

M

Q

K

M

F

V

I

R

S

T

T

A

A

S

K

G

S

Q

E

G

G

A

A

Q

T

I

I

I

L

T

Y

G

G

A

S

V

R

A

P

D

E

-

H

L

L

G

K

Q

K

G

G

F

Y

H

Y

Y

I

Q

E

P

P

T

T

V

I

L

V

A

T

G

D

C

I

S

S

A

T

K

S

M

M

E

Q

I

I

M

W

R

K

K

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

L

L

A

A

N

N

D

D

S

T

E

E

Y

Y

G

G

L

L

T

A

S

A

I

V

Y

F

T

S

A

N

S

D

L

L

S

E

A

R

A

C

M

E

Q

R

A

I

T

T

R

K

L

A

L

L

D

E

F

V

G

G

E
x
A

T

V

Y

W

I

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

T

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

V

Q

V

V

I28 (≠ H24) binding
D96 (≠ E90) binding
SPW 156:158 (≠ LPW 147:149) binding
Y160 (≠ F151) mutation to A: Decreases binding affinity for betaine aldehyde; increases binding affinity for 4-(trimethylamino)butanal.
W167 (≠ R158) mutation to A: Decreases binding affinity for betaine aldehyde; increases binding affinity for 4-aminobutanal.
KPSE 182:185 (= KPSE 173:176) binding
L186 (≠ E177) binding
SSAT 236:239 (≠ SVGT 227:230) binding
V251 (≠ I242) binding in other chain
L258 (= L249) binding
W285 (≠ I276) mutation to A: Decreases binding affinity for betaine aldehyde.
E390 (= E381) binding
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 ; mutation to A: Decreases binding affinity for betaine aldehyde.
K460 (≠ R451) binding

4v37A Crystal structure of betaine aldehyde dehydrogenase from spinach showing a thiohemiacetal with 3- aminopropionaldehyde
35% identity, 95% coverage: 20:473/477 of query aligns to 22:480/495 of 4v37A

query
sites
4v37A

H

R

L

I

E

P

V

V

H

I

N

N

P

P

A

S

N

T

G

E

Q

E

L

I

G

G

R

D

V

I

P

P

Q

A

G

A

S

T

T

A

A

E

E

D

V

V

E

E

Q

V

A

A

I

V

A

V

A

A

R

R

Q

R

A

A

Q

F

R

R

-

R

-

N

A

N

W

W

A

S

A

A

R

T

P

S

A

G

I

A

E

H

R

R

A

A

G

T

Y

Y

L

L

R

R

K

A

I

I

A

A

S

A

K

K

V

I

R

T

E

E

H

K

G

K

E

D

R

H

L

F

A

V

R

K

T

L

I

E

T

T

A

I

E

D

Q

S

G

G

K

K

V

P

L

F

E

D

L

E

A

A

R

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

L

L

E

D

G

G

E

K

-

Q

-

K

-

A

-

P

-

V

V

T

L

L

S

P

S

M

D

E

R

R

A

F

G

K

E

S

S

H

I

V

F

-

L

-

L

L