SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing PfGW456L13_4760 4-aminobutyraldehyde dehydrogenase (EC 1.2.1.19) 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)

4f3xA Crystal structure of putative aldehyde dehydrogenase from sinorhizobium meliloti 1021 complexed with NAD
65% identity, 98% coverage: 10:482/485 of query aligns to 4:476/476 of 4f3xA

query
sites
4f3xA

T

T

A

Q

L

L

L

L

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I

D

G

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E

R

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F

V

E

A

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E

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N

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T

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E

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V

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D

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E

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F

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G

W

W

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R

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T

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N

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L

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L

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L

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K

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A

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D

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I

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E

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E

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H

E

L

F

A

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R

A

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E

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A

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L

N

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C

C

G

G

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K

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N

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N

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E

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L

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N

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I
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K

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G

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G

N

N

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L

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E
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L

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K

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A

L

L

I

A

A

E

D

I

I

L

L

P

P

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E

G

G

V

V

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V

N

N

I

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I

C

T

G

G

G

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G
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G

E

E

G

T

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G
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G

S
x
N

H

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L

L

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x
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N

H

H

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P

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K

V

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G

M

M

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L
x
I

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T

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D
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D

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T

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K

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T

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L

G
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G

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G

K

K

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Y

N

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D

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C

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G

active site: N150 (= N156), K173 (= K179), E247 (= E253), C281 (= C287), E379 (= E385), D456 (= D462)
binding nicotinamide-adenine-dinucleotide: I146 (= I152), A147 (= A153), P148 (= P154), W149 (= W155), N150 (= N156), K173 (= K179), P174 (= P180), S175 (= S181), E176 (= E182), G205 (= G211), G209 (= G215), N210 (≠ S216), I213 (≠ V219), I223 (≠ L229), T224 (= T230), G225 (= G231), D226 (= D232), T229 (= T235), L248 (= L254), G249 (= G255), C281 (= C287), Q328 (= Q334), R331 (= R337), E379 (= E385), F381 (= F387)

P77674 Gamma-aminobutyraldehyde dehydrogenase; ABALDH; 1-pyrroline dehydrogenase; 4-aminobutanal dehydrogenase; 5-aminopentanal dehydrogenase; EC 1.2.1.19; EC 1.2.1.- from Escherichia coli (strain K12) (see paper)
63% identity, 97% coverage: 12:481/485 of query aligns to 5:474/474 of P77674

query
sites
P77674

L

L

L

L

I

I

D

N

G

G

E

E

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A

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G

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N

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P

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T

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G

E

D

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L

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E

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D

A

A

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A

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H

D

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A

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F

A

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P

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K

Q

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A

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E

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C

L

L

L

L

D

K

I

L

A

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E

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N

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C

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G

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K

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F

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R

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F

F

F

A

A

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G

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L

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E

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W

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L

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K

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L

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W

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A

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N

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D

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Y

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H

H

APW 146:148 (= APW 153:155) binding
KPSE 172:175 (= KPSE 179:182) binding
D209 (≠ S216) binding
SIAT 225:228 (≠ DIVT 232:235) binding
C280 (= C287) binding

1wndA Escherichia coli ydcw gene product is a medium-chain aldehyde dehydrogenase as determined by kinetics and crystal structure (see paper)
63% identity, 97% coverage: 12:481/485 of query aligns to 5:474/474 of 1wndA

query
sites
1wndA

L

L

L

L

I

I

D

N

G

G

E

E

I

L

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A

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G

G

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E

G

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F

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A

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E

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P

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P

P

A

A

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T

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G

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E

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L

C

L

L

L

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E

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E

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F

A

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L

L

E

E

A

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N

C

C

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G

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K

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L

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H

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A

A

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N

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D

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E

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A

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D

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F

F

R

R

F

F

F

F

A

A

G

G

A

A

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A

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C

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G

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L

L

A

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A

G

G

E

E

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Y

L

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L

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G

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A

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S

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I

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A

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W

W

N
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N

Y

Y

P

P

I

L

M

M

M

M

A

A

A

A

W

W

K

K

I

L

A

A

P

P

A

A

L

L

A

A

A

A

G

G

N

N

T

C

L

V

V

V

F

L

K
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K

P

P

S

S

E

E

H

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T

T

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P

L

L

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T

I

A

L

L

A

K

L

L

A

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A

L

L

A

A

K

E

D

I

I

L

F

P

P

R

A

G

G

V

V

I

V

N

N

I

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C

F

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K

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H

H

L

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E
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E

L

L

G

G

G
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G

K
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K

A
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A

P

P

V

V

I

I

V

V

C

F

N

D

D

D

A

A

D

D

I

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E

A

A

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V

E

E

G

G

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R

T

T

Y

F

G

G

Y

Y

Y

Y

N

N

A

A

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G

Q

Q

D

D

C
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C

T

T

A

A

A

A

C

C

R

R

I

I

Y

Y

A

A

Q

Q

A

K

G

G

I

I

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Y

D

D

R

T

L

L

V

V

A

E

E

K

L

L

G

G

A

A

A

A

V

V

G

A

S

T

L

L

R

K

F

S

A

G

G

A

K

P

R

D

D

D

A

E

D

S

N

T

E

E

I

L

G

G

P

P

L

L

I

S

S

S

T

L

R

A

Q

H

R

L

D

E

R

R

V

V

A

G

S

K

F

A

V

V

E

E

R

E

A

A

L

K

G

A

Q

T

P

G

H

H

I

I

E

K

R

V

V

I

T

T

G

G

A

G

A

E

V

K

H

R

S

K

G

G

A

N

G

G

F

Y

Y

Y

Y

Y

Q

A

P

P

T

T

L

L

L

L

A

A

G

G

C

A

K

L

Q

Q

S

D

D

D

E

A

I

I

V

V

Q

Q

R

K

E
|
E

V

V

F

F

G

G

P

P

V

V

V

V

T

S

V

V

T

T

R

P

F

F

D

D

E

N

L

E

G

E

Q

Q

A

V

V

V

D

N

W

W

A

A

N

N

D

D

S

S

E

Q

Y

Y

G
|
G

L
|
L

A
|
A

S

S

S

S

V

V

W

W

T

T

Q

K

N

D

L

V

D

G

K

R

A

A

M

H

Q

R

V

V

A

S

A

A

R

R

L

L

Q

Q

Y
|
Y

G

G

C

C

T

T

W

W

I

V

N

N

S

T

H

H

F

F

M

M

L

L

V

V

S

S

E

E

M

M

P

P

H

H

G

G

G

G

L

Q

K

K

R

L

S

S

G

G

Y

Y

G

G

K

K

D
|
D

L

M

S

S

S

L

D

Y

S

G

L

L

Q

E

D

D

Y

Y

S

T

V

V

V

V

R

R

H

H

I

V

M

M

A

V

R

K

H

H

active site: N149 (= N156), K172 (= K179), E246 (= E253), C280 (= C287), E378 (= E385), D455 (= D462)
binding calcium ion: G249 (= G256), K250 (= K257), A251 (= A258), G405 (= G412), L406 (= L413), A407 (= A414), Y427 (= Y434)

1wnbB Escherichia coli ydcw gene product is a medium-chain aldehyde dehydrogenase (complexed with nadh and betaine aldehyde) (see paper)
63% identity, 97% coverage: 12:481/485 of query aligns to 5:474/474 of 1wnbB

query
sites
1wnbB

L

L

L

L

I

I

D

N

G

G

E

E

I

L

V

V

A

S

G

G

Q

E

G

G

F

E

A

K

E

Q

P

P

I

V

I

Y

N

N

P

P

A

A

T

T

G

G

E

D

I

V

L

L

T

L

Q

E

I

I

A

A

E

E

A

A

S

S

T

A

E

E

Q

Q

V

V

E

D

A

A

A

A

I

V

L

R

A

A

A

A

H

D

R

A

A

A

F

F

A

A

G

E

W

W

S

G

R

Q

T

T

T

T

P

P

Q

K

Q

V

R

R

S

A

N

E

L

C

L

L

L

L

D

K

I

L

A

A

N

D

A

V

I

I

E

E

K

E

N

N

A

G

D

Q

H

V

L

F

A

A

R

E

L

L

E

E

A

S

L

R

N

N

C

C

G

G

K

K

P

P

L

L

H

H

L

S

A

A

R

F

Q

N

D

D

D

E

L

I

N

P

A

A

T

I

V

V

D

D

V

V

F

F

R

R

F

F

F

F

A

A

G

G

A

A

V

A

R

R

C

C

Q

L

T

N

G

G

Q

L

L

A

S

A

G

G

E

E

Y

Y

L

L

P

E

G

G

Y

H

T

T

S

S

M

M

V

I

R

R

R

R

D

D

P

P

I

L

G

G

V

V

V

V

A

A

S

S

I
|
I

A
|
A

P
|
P

W
|
W

N
|
N

Y
|
Y

P

P

I

L

M

M

M

M

A

A

A

A

W

W

K

K

I

L

A

A

P

P

A

A

L

L

A

A

A

A

G

G

N

N

T

C

L

V

V

V

F

L

K
|
K

P
|
P

S
|
S

E
|
E

H

I

T

T

P

P

L

L

S

T

I

A

L

L

A

K

L

L

A

A

P

E

A

L

L

A

A

K

E

D

I

I

L

F

P

P

R

A

G

G

V

V

I

V

N

N

I

I

I

L

C

F

G

G

G

R

G
|
G

E

K

G

T

V

V

G
|
G

S
x
D

H

P

L

L

V

T

S

G

H

H

P

P

K

K

V

V

R

R

M

M

V

V

S

S

L
|
L

T
|
T

G
|
G

D
x
S

I

I

V

A

T
|
T

G

G

Q

E

K
x
H

I
|
I

L

I

Q

S

A

H

A

T

S

A

K

S

T

S

L

I

K

K

R

R

T

T

H

H

L

M

E
|
E

L

L

G
|
G

G

G

K

K

A

A

P

P

V

V

I

I

V

V

C

F

N

D

D

D

A

A

D

D

I

I

Q

E

A

A

V

V

V

V

E

E

G

G

V

V

R

R

T

T

Y

F

G

G

Y

Y

Y

Y

N

N

A

A

G

G

Q

Q

D
|
D

C
|
C

T
|
T

A

A

A

A

C

C

R

R

I

I

Y

Y

A

A

Q

Q

A

K

G

G

I

I

H

Y

D

D

R

T

L

L

V

V

A

E

E

K

L

L

G

G

A

A

A

A

V

V

G

A

S

T

L

L

R

K

F

S

A

G

G

A

K

P

R

D

D

D

A

E

D

S

N

T

E

E

I

L

G

G

P

P

L

L

I

S

S

S

T

L

R

A

Q
x
H

R

L

D

E

R
|
R

V

V

A

G

S

K

F

A

V

V

E

E

R

E

A

A

L

K

G

A

Q

T

P

G

H

H

I

I

E

K

R

V

V

I

T

T

G

G

A

G

A

E

V

K

H

R

S

K

G

G

A

N

G

G

F

Y

Y

Y

Y

Y

Q

A

P

P

T

T

L

L

L

L

A

A

G

G

C

A

K

L

Q

Q

S

D

D

D

E

A

I

I

V

V

Q

Q

R

K

E
|
E

V

V

F
|
F

G

G

P

P

V

V

V

V

T

S

V

V

T

T

R

P

F

F

D

D

E

N

L

E

G

E

Q

Q

A

V

V

V

D

N

W

W

A

A

N

N

D

D

S

S

E

Q

Y

Y

G

G

L

L

A

A

S

S

S

S

V

V

W

W

T

T

Q

K

N

D

L

V

D

G

K

R

A

A

M

H

Q

R

V

V

A

S

A

A

R

R

L

L

Q

Q

Y

Y

G

G

C

C

T

T

W

W

I

V

N

N

S

T

H

H

F
|
F

M

M

L
|
L

V

V

S

S

E

E

M

M

P

P

H

H

G

G

G

G

L

Q

K

K

R

L

S

S

G

G

Y

Y

G

G

K

K

D
|
D

L

M

S

S

S

L

D

Y

S

G

L

L

Q

E

D

D

Y

Y

S

T

V

V

V

V

R

R

H

H

I

V

M

M

A

V

R

K

H

H

active site: N149 (= N156), K172 (= K179), E246 (= E253), C280 (= C287), E378 (= E385), D455 (= D462)
binding betaine aldehyde: Y150 (= Y157), D279 (= D286), T281 (= T288), F436 (= F443), L438 (= L445)
binding 1,4-dihydronicotinamide adenine dinucleotide: I145 (= I152), A146 (= A153), P147 (= P154), W148 (= W155), N149 (= N156), K172 (= K179), P173 (= P180), S174 (= S181), E175 (= E182), G204 (= G211), G208 (= G215), D209 (≠ S216), L222 (= L229), T223 (= T230), G224 (= G231), S225 (≠ D232), T228 (= T235), H231 (≠ K238), I232 (= I239), E246 (= E253), G248 (= G255), H327 (≠ Q334), R330 (= R337), E378 (= E385), F380 (= F387)

1wnbA Escherichia coli ydcw gene product is a medium-chain aldehyde dehydrogenase (complexed with nadh and betaine aldehyde) (see paper)
63% identity, 97% coverage: 12:481/485 of query aligns to 5:474/474 of 1wnbA

query
sites
1wnbA

L

L

L

L

I

I

D

N

G

G

E

E

I

L

V

V

A

S

G

G

Q

E

G

G

F

E

A

K

E

Q

P

P

I

V

I

Y

N

N

P

P

A

A

T

T

G

G

E

D

I

V

L

L

T

L

Q

E

I

I

A

A

E

E

A

A

S

S

T

A

E

E

Q

Q

V

V

E

D

A

A

A

A

I

V

L

R

A

A

A

A

H

D

R

A

A

A

F

F

A

A

G

E

W

W

S

G

R

Q

T

T

T

T

P

P

Q

K

Q

V

R

R

S

A

N

E

L

C

L

L

L

L

D

K

I

L

A

A

N

D

A

V

I

I

E

E

K

E

N

N

A

G

D

Q

H

V

L

F

A

A

R

E

L

L

E

E

A

S

L

R

N

N

C

C

G

G

K

K

P

P

L

L

H

H

L

S

A

A

R

F

Q

N

D

D

D

E

L

I

N

P

A

A

T

I

V

V

D

D

V

V

F

F

R

R

F

F

F

F

A

A

G

G

A

A

V

A

R

R

C

C

Q

L

T

N

G

G

Q

L

L

A

S

A

G

G

E

E

Y

Y

L

L

P

E

G

G

Y

H

T

T

S

S

M

M

V

I

R

R

R

R

D

D

P

P

I

L

G

G

V

V

V

V

A

A

S

S

I
|
I

A
|
A

P
|
P

W
|
W

N
|
N

Y

Y

P

P

I

L

M

M

M

M

A

A

A

A

W

W

K

K

I

L

A

A

P

P

A

A

L

L

A

A

A

A

G

G

N

N

T

C

L

V

V

V

F

L

K
|
K

P
|
P

S
|
S

E
|
E

H

I

T

T

P

P

L

L

S

T

I

A

L

L

A

K

L

L

A

A

P

E

A

L

L

A

A

K

E

D

I

I

L

F

P

P

R

A

G

G

V

V

I

V

N

N

I

I

I

L

C

F

G

G

G

R

G
|
G

E

K

G

T

V

V

G
|
G

S
x
D

H

P

L

L

V

T

S

G

H

H

P

P

K

K

V

V

R

R

M

M

V

V

S

S

L
|
L

T
|
T

G
|
G

D
x
S

I

I

V

A

T
|
T

G

G

Q

E

K
x
H

I
|
I

L

I

Q

S

A

H

A

T

S

A

K

S

T

S

L

I

K

K

R

R

T

T

H

H

L

M

E
|
E

L
|
L

G
|
G

G

G

K

K

A

A

P

P

V

V

I

I

V

V

C

F

N

D

D

D

A

A

D

D

I

I

Q

E

A

A

V

V

V

V

E

E

G

G

V

V

R

R

T

T

Y

F

G

G

Y

Y

Y

Y

N

N

A

A

G

G

Q

Q

D

D

C
|
C

T

T

A

A

A

A

C

C

R

R

I

I

Y

Y

A

A

Q

Q

A

K

G

G

I

I

H

Y

D

D

R

T

L

L

V

V

A

E

E

K

L

L

G

G

A

A

A

A

V

V

G

A

S

T

L

L

R

K

F

S

A

G

G

A

K

P

R

D

D

D

A

E

D

S

N

T

E

E

I

L

G

G

P

P

L

L

I

S

S

S

T

L

R

A

Q
x
H

R

L

D

E

R
|
R

V

V

A

G

S

K

F

A

V

V

E

E

R

E

A

A

L

K

G

A

Q

T

P

G

H

H

I

I

E

K

R

V

V

I

T

T

G

G

A

G

A

E

V

K

H

R

S

K

G

G

A

N

G

G

F

Y

Y

Y

Y

Y

Q

A

P

P

T

T

L

L

L

L

A

A

G

G

C

A

K

L

Q

Q

S

D

D

D

E

A

I

I

V

V

Q

Q

R

K

E
|
E

V

V

F
|
F

G

G

P

P

V

V

V

V

T

S

V

V

T

T

R

P

F

F

D

D

E

N

L

E

G

E

Q

Q

A

V

V

V

D

N

W

W

A

A

N

N

D

D

S

S

E

Q

Y

Y

G

G

L

L

A

A

S

S

S

S

V

V

W

W

T

T

Q

K

N

D

L

V

D

G

K

R

A

A

M

H

Q

R

V

V

A

S

A

A

R

R

L

L

Q

Q

Y

Y

G

G

C

C

T

T

W

W

I

V

N

N

S

T

H

H

F

F

M

M

L

L

V

V

S

S

E

E

M

M

P

P

H

H

G

G

G

G

L

Q

K

K

R

L

S

S

G

G

Y

Y

G

G

K

K

D
|
D

L

M

S

S

S

L

D

Y

S

G

L

L

Q

E

D

D

Y

Y

S

T

V

V

V

V

R

R

H

H

I

V

M

M

A

V

R

K

H

H

active site: N149 (= N156), K172 (= K179), E246 (= E253), C280 (= C287), E378 (= E385), D455 (= D462)
binding 1,4-dihydronicotinamide adenine dinucleotide: I145 (= I152), A146 (= A153), P147 (= P154), W148 (= W155), N149 (= N156), K172 (= K179), P173 (= P180), S174 (= S181), E175 (= E182), G204 (= G211), G208 (= G215), D209 (≠ S216), L222 (= L229), T223 (= T230), G224 (= G231), S225 (≠ D232), T228 (= T235), H231 (≠ K238), I232 (= I239), E246 (= E253), L247 (= L254), G248 (= G255), H327 (≠ Q334), R330 (= R337), E378 (= E385), F380 (= F387)

4neaA 1.90 angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betb) from staphylococcus aureus in complex with NAD+ and bme-free cys289 (see paper)
39% identity, 97% coverage: 14:485/485 of query aligns to 22:499/505 of 4neaA

query
sites
4neaA

I

I

D

D

G

G

E

E

I

W

V

V

-

E

A

S

G

A

Q

N

G

K

F

N

A

T

E

R

P

D

I

I

I

I

N

N

P

P

A

Y

T

N

G

Q

E

E

I

V

L

I

T

F

Q

T

I

V

A

S

E

E

A

G

S

T

T

K

E

E

Q

D

V

A

E

E

A

R

A

A

I

I

L

L

A

A

A

A

H

R

R

R

A

A

F

F

A

E

G

S

-

G

-

E

W

W

S

S

R

Q

T

E

T

T

P

A

Q

E

Q

T

R

R

S

G

N

K

L

K

L

V

L

R

D

A

I

I

A

A

N

D

A

K

I

I

E

K

K

E

N

H

A

R

D

E

H

A

L

L

A

A

R

R

L

L

E

E

A

T

L

L

N

D

C

T

G

G

K

K

P

T

L

L

H

E

-

E

-

S

L

Y

A

A

R

D

Q

M

D

D

D

D

L

I

N

H

A

-

T

-

V

-

D

N

V

V

F

F

R

M

F

Y

F

F

A

A

G

G

A

L

V

A

R

D

C

K

Q

D

T

G

G

G

Q

E

L

M

S

I

G

D

E

S

Y

P

L

I

P

P

G

D

Y

T

T

E

S

S

M

K

V

I

R

V

R

K

D

E

P

P

I

V

G

G

V

V

V

V

A

T

S

Q

I
|
I

A

T

P
|
P

W
|
W

N
|
N

Y

Y

P

P

I

L

M

L

M

Q

A

A

A

S

W

W

K

K

I

I

A

A

P

P

A

A

L

L

A

A

A

T

G

G

N

C

T

S

L

L

V

V

F

M

K
|
K

P

P

S

S

E
|
E

H

I

T

T

P

P

L

L

S

T

I

T

L

I

A

R

L

V

A

F

P

E

A

L

L

M

A

E

E

E

I

V

-

G

L

F

P

P

R

K

G

G

V

T

I

I

N

N

I

L

I

I

C

L

G

G

G
x
A

G
|
G

E
x
S

G

E

V

V

G
|
G

S
x
D

H

V

L

M

V

S

S

G

H

H

P

K

K

E

V

V

R

D

M

L

V

V

S

S

L
x
F

T
|
T

G
|
G

D
x
G

I

I

V

E

T
|
T

G

G

Q

K

K
x
H

I
|
I

L

M

Q

K

A

N

A

A

S

A

K

N

T

N

L

V

K

T

R

N

T

I

H

A

L

L

E
|
E

L

L

G
|
G

G

G

K

K

A

N

P

P

V

N

I

I

V

I

C

F

N

D

D

D

A

A

D

D

I

F

Q

E

A

L

V

A

V

V

E

D

G

Q

V

A

R

L

T

N

Y

G

G

G

Y

Y

Y

F

N

H

A

A

G

G

Q

Q

D

V

C
|
C

T

S

A

A

A

G

C

S

R

R

I

I

Y

L

A

V

Q

Q

A

N

G

S

I

I

H

K

D

D

R

K

L

F

V

E

A

Q

E

A

L

L

G

I

A

D

A

R

V

V

G

K

S

K

L

I

R

K

F

L

A

G

G

N

K

G

R

F

D

D

A

A

D

D

N

T

E

E

I

M

G

G

P

P

L

V

I

I

S

S

T

T

R

E

Q
x
H

R

R

D

N

R

K

V

I

A

E

S

S

F

Y

V

M

E

D

R

V

A

A

L

-

G

-

Q

-

P

-

H

-

I

-

E

-

R

K

V

A

T

E

G

G

A

A

A

T

V

I

H

A

S

V

G

G

A

G

-

K

-

R

-

P

-

D

-

R

-

D

-

D

-

L

-

K

-

D

G

G

F

L

Y

F

Y

F

Q

E

P

P

T

T

L

V

L

I

A

T

G

N

C

C

K

D

Q

T

S

S

D

M

E

R

I

I

V

V

Q

Q

R

E

E
|
E

V

V

F
|
F

G

G

P

P

V

V

V

V

T

T

V

V

T

E

R

G

F

F

D

E

E

T

L

E

G

Q

Q

E

A

A

V

I

D

Q

W

L

A

A

N

N

D

D

S

S

E

I

Y

Y

G

G

L

L

A

A

S

G

S

A

V

V

W

F

T

S

Q

K

N

D

L

I

D

G

K

K

A

A

M

Q

Q

R

V

V

A

A

A

N

R

K

L

L

Q

K

Y

L

G

G

C

T

T

V

W

W

I

I

N

N

S

D

H

F

F

H

M

P

L

Y

V

F

S

A

E

Q

M

A

P

P

H

W

G

G

G

G

L

Y

K

K

R

Q

S

S

G

G

Y

I

G

G

K

R

D
x
E

L

L

S

G

S

K

D

E

S

G

L

L

Q

E

D

E

Y

Y

S

L

V

V

V

S

R

K

H

H

I

I

M

L

A

T

R

N

H

T

G

N

E

P

H

Q

L

L

active site: N166 (= N156), K189 (= K179), E264 (= E253), C298 (= C287), E399 (= E385), E476 (≠ D462)
binding nicotinamide-adenine-dinucleotide: I162 (= I152), P164 (= P154), W165 (= W155), N166 (= N156), K189 (= K179), E192 (= E182), A221 (≠ G210), G222 (= G211), S223 (≠ E212), G226 (= G215), D227 (≠ S216), F240 (≠ L229), T241 (= T230), G242 (= G231), G243 (≠ D232), T246 (= T235), H249 (≠ K238), I250 (= I239), E264 (= E253), G266 (= G255), C298 (= C287), H345 (≠ Q334), E399 (= E385), F401 (= F387)

4o6rA Crystal structure of a putative aldehyde dehydrogenase from burkholderia cenocepacia
40% identity, 96% coverage: 10:477/485 of query aligns to 4:475/489 of 4o6rA

query
sites
4o6rA

T

T

A

Q

L

L

L

F

I

I

D

D

G

G

E

R

I

F

V

V

-

D

-

A

A

V

G

D

Q

R

G

G

F

T

A

I

E

D

P

-

I

V

I

L

N

N

P

P

A

H

T

D

G

G

E

S

I

V

L

I

T

T

Q

K

I

I

A

A

E

A

A

A

S

T

T

A

E

A

Q

D

V

V

E

D

A

L

A

A

I

V

L

D

A

A

A

A

H

T

R

R

A

A

F

F

A

P

G

A

W

W

S

S

R

A

T

M

T

P

P

A

Q

A

Q

E

R

R

S

G

N

R

L

L

L

L

L

L

D

R

I

L

A

A

N

D

A

A

I

I

E

E

K

A

N

N

A

T

D

E

H

A

L

L

A

A

R

Q

L

L

E

E

A

S

L

L

N

D

C

T

G

G

K

H

P

P

L

I

H

R

L

D

A

S

R

R

Q

A

D

L

D

D

L

V

N

P

A

R

T

T

V

A

D

A

V

C

F

F

R

R

F

Y

F

F

A

G

G

G

A

-

V

-

R

-

C

-

Q

M

T

A

G

D

Q

K

L

L

S

Q

G

G

E

S

Y

V

L

I

P

P

-

V

-

D

-

T

G

G

Y

F

T

L

S

N

M

Y

V

V

R

Q

R

R

D

A

P

P

I

I

G

G

V

V

V

V

A

G

S

Q

I
|
I

A
x
V

P

P

W

W

N
|
N

Y

F

P

P

I

L

M

M

M

F

A

T

A

S

W

W

K

K

I

M

A

G

P

P

A

A

L

L

A

A

A

A

G

G

N

N

T

T

L

V

V

V

F

L

K
|
K

P
|
P

S
|
S

E
|
E

H

I

T

T

P

P

L

L

S

S

I

T

L

L

A

R

L

I

A

V

P

E

A

L

L

M

A

A

E

E

I

V

-

G

L

F

P

P

R

A

G

G

V

V

I

V

N

N

I

I

I

V

C

P

G

G

G

Y

G
|
G

E

H

G

T

V

A

G
|
G

S
x
Q

H

R

L

L

V

A

S

E

H

H

P

P

K

G

V

V

R

G

M

K

V

I

S

A

L
x
F

T
|
T

G
|
G

D
x
S

I

T

V

A

T
|
T

G

G

Q

R

K
x
R

I
|
I

L

V

Q

E

A

A

A

S

S

Q

K

G

T

N

L

L

K

K

R

R

T

V

H

Q

L

L

E
|
E

L

L

G

G

G

G

K

K

A

G

P

A

V

N

I

I

V

V

C

F

N

D

D

D

A

A

D

N

I

L

Q

D

A

A

V

A

V

I

E

N

G

G

V

A

R

A

T

W

Y

A

G

I

Y

F

Y

H

N

N

A

Q

G

G

Q

Q

D

A

C
|
C

T

I

A

A

A

G

C

S

R

R

I

L

Y

V

A

L

Q

H

A

E

G

R

I

I

H

A

D

D

R

A

L

F

V

L

A

E

E

R

L

F

G

V

A

A

A

L

V

A

G

S

S

S

L

I

R

R

F

I

A

G

G

N

K

P

R

L

D

D

A

P

D

N

N

T

E

E

I

M

G

G

P

P

L

L

I

T

S

S

T

K

R

Q

Q

H

R

L

D

D

R

R

V

V

A

L

S

S

F

Y

V

V

E

D

R

V

A

A

L

R

G

E

Q

Q

P

G

H

G

I

R

E

V

R

L

V

T

T

G

G

G

A

S

A

A

V

P

H

Q

S

D

G

P

A

A

-

L

-

A

-

N

G

G

F

Y

Y

Y

Y

V

Q

R

P

P

T

T

L

I

L

V

A

E

G

A

C

K

K

H

Q

A

S

T

D

D

E

R

I

V

V

A

Q

Q

R

E

E
|
E

V

V

F

F

G

G

P

P

V

F

V

V

T

T

V

V

T

L

R

R

F

F

D

G

E

S

L

D

G

D

Q

E

A

A

V

L

D

A

W

I

A

A

N

N

D

A

S

T

E

E

Y

Y

G

G

L

L

A

G

S

S

S

G

V

L

W

W

T

T

Q

N

N

D

L

L

D

S

K

R

A

A

M

H

Q

R

V

M

A

A

A

A

R

R

L

I

Q

D

Y

A

G

G

C

M

T

C

W

W

I

I

N

N

S

C

H

Y

F

K

M

R

L

V

V

N

S

P

E

G

M

S

P

P

H

F

G

G

G

G

L

V

K

G

R

K

S

S

G

G

Y

Y

G

G

K

R

D
x
E

L

M

S

G

S

F

D

E

S

A

L

M

Q

H

D

D

Y

Y

S

T

V

E

V

A

R

R

H

S

I

V

active site: N150 (= N156), K173 (= K179), E248 (= E253), C282 (= C287), E383 (= E385), E460 (≠ D462)
binding adenosine monophosphate: I146 (= I152), V147 (≠ A153), K173 (= K179), P174 (= P180), S175 (= S181), E176 (= E182), G206 (= G211), G210 (= G215), Q211 (≠ S216), F224 (≠ L229), T225 (= T230), G226 (= G231), S227 (≠ D232), T230 (= T235), R233 (≠ K238), I234 (= I239)

5gtlA NADPH complex structure of aldehyde dehydrogenase from bacillus cereus
36% identity, 96% coverage: 12:477/485 of query aligns to 19:486/491 of 5gtlA

query
sites
5gtlA

L

M

L

F

I

I

D

N

G

G

E

E

I

F

V

V

A

S

-

A

-

I

-

G

G

G

Q

K

G

T

F

F

A

E

E

-

P

-

I

T

I

Y

N

N

P

P

A

A

T

T

G

E

E

D

I

V

L

L

T

A

Q

V

I

V

A

C

E

E

A

A

S

Q

T

E

E

E

Q

D

V

I

E

D

A

A

A

A

I

V

L

K

A

A

A

A

H

R

R

S

A

A

F

F

A

E

G

S

-

G

-

P

W

W

S

A

R

E

T

M

T

T

P

T

Q

A

Q

E

R

R

S

A

N

H

L

L

L

I

L

Y

D

K

I

L

A

A

N

D

A

L

I

I

E

E

K

E

N

H

A

R

D

E

H

E

L

L

A

A

R

Q

L

L

E

E

A

A

L

L

N

D

C

N

G

G

K

K

P

P

L

Y

H

Q

L

V

A

A

R

L

Q

D

D

D

D

D

L

I

N

S

A

A

T

T

V

V

D

E

V

N

F

Y

R

R

F

Y

F

Y

A

A

G

G

A

-

V

-

R

-

C

-

Q

W

T

T

G

T

Q

K

L

I

S

I

G

G

E

Q

Y

T

L

I

P

P

-

I

-

S

-

K

G

D

Y

Y

T

L

S

N

M

Y

V

T

R

R

R

H

D

E

P

P

I

V

G

G

V

V

V

V

A

G

S

Q

I
|
I

A
x
I

P
|
P

W
|
W

N
|
N

Y

F

P

P

I

L

M

V

M

M

A

S

A

S

W

W

K

K

I

M

A

G

P

A

A

A

L

L

A

A

A

T

G

G

N

C

T

T

L

I

V

V

F

L

K
|
K

P

P

S
x
A

E
|
E

H
x
Q

T

T

P

P

L

L

S

S

I

L

L

L

A

Y

L

A

A

A

P

K

A

L

L

F

A

K

E

E

I

A

-

G

L

F

P

P

R

N

G

G

V

V

I

V

N

N

I

F

I

V

C

P

G
|
G

G
x
F

G
|
G

E

P

G

E

V

A

G
|
G

S
x
A

H

A

L

I

V
|
V

S

N

H

H

P

H

K

D

V

I

R

D

M

K

V

V

S

A

L
x
F

T

T

G
|
G

D
x
S

I

T

V

V

T
|
T

G

G

Q

K

K
x
Y

I

I

L

M

Q

R

A

Q

A

S

S

A

K

E

T

M

L

I

K

K

R

H

T

V

H

T

L

L

E
|
E

L
|
L

G
|
G

G

G

K

K

A

S

P

P

V

N

I

I

V

I

C

L

N

E

D

D

A

A

D

D

I

L

Q

E

A

E

V

A

V

I

E

N

G

G

V

A

R

F

T

Q

Y

G

G

I

Y

M

Y

Y

N

N

A

H

G

G

Q

Q

D

N

C
|
C

T

S

A

A

A

G

C

S

R

R

I

V

Y

F

A

V

Q

H

A

R

G

K

I

H

H

Y

D

E

R

T

L

V

V

V

A

D

E

A

L

L

G

V

A

K

A

M

V

A

G

N

S

N

L

V

R

K

F

L

A

G

G

A

K

G

R

M

D

E

A

K

D

E

N

T

E

E

I

M

G

G

P

P

L

L

I

V

S

S

T

K

R

K

Q
|
Q

R

Q

D

E

R
|
R

V

V

A

L

S

N

F

Y

V

I

E

E

R

Q

A

G

L

-

G

-

Q

-

P

-

H

-

I

-

E

-

R

K

V

K

T

E

G

G

A

A

A

T

V

V

H

A

S

A

G

G

A

G

-

E

-

R

-

A

-

L

-

E

-

K

G

G

F

Y

Y

F

Y

V

Q

K

P

P

T

T

L

V

L

F

A

T

G

D

C

V

K

T

Q

D

S

D

D

M

E

T

I

I

V

V

Q

K

R

E

E
|
E

V

I

F
|
F

G

G

P

P

V

V

V

V

T

V

V

V

T

L

R

P

F

F

D

D

E

S

L

T

G

E

Q

E

A

V

V

I

D

E

W

R

A

A

N

N

D

N

S

S

E

S

Y

Y

G

G

L

L

A

A

S

A

S

G

V

V

W

W

T

T

Q

Q

N

N

L

I

D

K

K

T

A

G

M

H

Q

Q

V

V

A

A

A

N

R

K

L

L

Q

K

Y

A

G

G

C

T

T

V

W

W

I

I

N

N

S

D

H

Y

F

N

M

L

L

E

V

N

S

A

E

A

M

A

P

P

H

F

G

G

G

G

L

Y

K

K

R

Q

S

S

G

G

Y

I

G

G

K

R

D
x
E

L

L

S

G

S

S

D

Y

S

A

L

L

Q

D

D

N

Y

Y

S

T

V

E

V

V

R

K

H

S

I

V

active site: N165 (= N156), K188 (= K179), E263 (= E253), C297 (= C287), E394 (= E385), E471 (≠ D462)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: I161 (= I152), I162 (≠ A153), P163 (= P154), W164 (= W155), N165 (= N156), K188 (= K179), A190 (≠ S181), E191 (= E182), Q192 (≠ H183), G219 (= G209), F220 (≠ G210), G221 (= G211), G225 (= G215), A226 (≠ S216), V229 (= V219), F239 (≠ L229), G241 (= G231), S242 (≠ D232), T245 (= T235), Y248 (≠ K238), E263 (= E253), L264 (= L254), G265 (= G255), C297 (= C287), Q344 (= Q334), R347 (= R337), E394 (= E385), F396 (= F387)

5gtkA NAD+ complex structure of aldehyde dehydrogenase from bacillus cereus
36% identity, 96% coverage: 12:477/485 of query aligns to 19:486/491 of 5gtkA

query
sites
5gtkA

L

M

L

F

I

I

D

N

G

G

E

E

I

F

V

V

A

S

-

A

-

I

-

G

G

G

Q

K

G

T

F

F

A

E

E

-

P

-

I

T

I

Y

N

N

P

P

A

A

T

T

G

E

E

D

I

V

L

L

T

A

Q

V

I

V

A

C

E

E

A

A

S

Q

T

E

E

E

Q

D

V

I

E

D

A

A

A

A

I

V

L

K

A

A

A

A

H

R

R

S

A

A

F

F

A

E

G

S

-

G

-

P

W

W

S

A

R

E

T

M

T

T

P

T

Q

A

Q

E

R

R

S

A

N

H

L

L

L

I

L

Y

D

K

I

L

A

A

N

D

A

L

I

I

E

E

K

E

N

H

A

R

D

E

H

E

L

L

A

A

R

Q

L

L

E

E

A

A

L

L

N

D

C

N

G

G

K

K

P

P

L

Y

H

Q

L

V

A

A

R

L

Q

D

D

D

D

D

L

I

N

S

A

A

T

T

V

V

D

E

V

N

F

Y

R

R

F

Y

F

Y

A

A

G

G

A

-

V

-

R

-

C

-

Q

W

T

T

G

T

Q

K

L

I

S

I

G

G

E

Q

Y

T

L

I

P

P

-

I

-

S

-

K

G

D

Y

Y

T

L

S

N

M

Y

V

T

R

R

R

H

D

E

P

P

I

V

G

G

V

V

V

V

A

G

S

Q

I
|
I

A
x
I

P
|
P

W
|
W

N
|
N

Y

F

P

P

I

L

M

V

M

M

A

S

A

S

W

W

K

K

I

M

A

G

P

A

A

A

L

L

A

A

A

T

G

G

N

C

T

T

L

I

V

V

F

L

K
|
K

P

P

S
x
A

E
|
E

H

Q

T

T

P

P

L

L

S

S

I

L

L

L

A

Y

L

A

A

A

P

K

A

L

L

F

A

K

E

E

I

A

-

G

L

F

P

P

R

N

G

G

V

V

I

V

N

N

I

F

I

V

C

P

G

G

G

F

G
|
G

E

P

G

E

V

A

G
|
G

S
x
A

H

A

L

I

V
|
V

S

N

H

H

P

H

K

D

V

I

R

D

M

K

V

V

S

A

L
x
F

T
|
T

G
|
G

D
x
S

I

T

V

V

T
|
T

G

G

Q

K

K
x
Y

I

I

L

M

Q

R

A

Q

A

S

S

A

K

E

T

M

L

I

K

K

R

H

T

V

H

T

L

L

E
|
E

L
|
L

G

G

G

G

K

K

A

S

P

P

V

N

I

I

V

I

C

L

N

E

D

D

A

A

D

D

I

L

Q

E

A

E

V

A

V

I

E

N

G

G

V

A

R

F

T

Q

Y

G

G

I

Y

M

Y

Y

N

N

A

H

G

G

Q

Q

D

N

C
|
C

T

S

A

A

A

G

C

S

R

R

I

V

Y

F

A

V

Q

H

A

R

G

K

I

H

H

Y

D

E

R

T

L

V

V

V

A

D

E

A

L

L

G

V

A

K

A

M

V

A

G

N

S

N

L

V

R

K

F

L

A

G

G

A

K

G

R

M

D

E

A

K

D

E

N

T

E

E

I

M

G

G

P

P

L

L

I

V

S

S

T

K

R

K

Q
|
Q

R

Q

D

E

R
|
R

V

V

A

L

S

N

F

Y

V

I

E

E

R

Q

A

G

L

-

G

-

Q

-

P

-

H

-

I

-

E

-

R

K

V

K

T

E

G

G

A

A

A

T

V

V

H

A

S

A

G

G

A

G

-

E

-

R

-

A

-

L

-

E

-

K

G

G

F

Y

Y

F

Y

V

Q

K

P

P

T

T

L

V

L

F

A

T

G

D

C

V

K

T

Q

D

S

D

D

M

E

T

I

I

V

V

Q

K

R

E

E
|
E

V

I

F
|
F

G

G

P

P

V

V

V

V

T

V

V

V

T

L

R

P

F

F

D

D

E

S

L

T

G

E

Q

E

A

V

V

I

D

E

W

R

A

A

N

N

D

N

S

S

E

S

Y

Y

G

G

L

L

A

A

S

A

S

G

V

V

W

W

T

T

Q

Q

N

N

L

I

D

K

K

T

A

G

M

H

Q

Q

V

V

A

A

A

N

R

K

L

L

Q

K

Y

A

G

G

C

T

T

V

W

W

I

I

N

N

S

D

H

Y

F

N

M

L

L

E

V

N

S

A

E

A

M

A

P

P

H

F

G

G

G

G

L

Y

K

K

R

Q

S

S

G

G

Y

I

G

G

K

R

D
x
E

L

L

S

G

S

S

D

Y

S

A

L

L

Q

D

D

N

Y

Y

S

T

V

E

V

V

R

K

H

S

I

V

active site: N165 (= N156), K188 (= K179), E263 (= E253), C297 (= C287), E394 (= E385), E471 (≠ D462)
binding nicotinamide-adenine-dinucleotide: I161 (= I152), I162 (≠ A153), P163 (= P154), W164 (= W155), N165 (= N156), K188 (= K179), A190 (≠ S181), E191 (= E182), G221 (= G211), G225 (= G215), A226 (≠ S216), V229 (= V219), F239 (≠ L229), T240 (= T230), G241 (= G231), S242 (≠ D232), T245 (= T235), Y248 (≠ K238), E263 (= E253), L264 (= L254), C297 (= C287), Q344 (= Q334), R347 (= R337), E394 (= E385), F396 (= F387)

4go4A Crystal structure of pnpe in complex with nicotinamide adenine dinucleotide
40% identity, 96% coverage: 12:477/485 of query aligns to 5:473/487 of 4go4A

query
sites
4go4A

L

L

L

Y

I

I

D

D

G

G

E

R

I

F

V

V

-

D

A

A

G

V

Q

A

G

G

F

G

A

T

E

I</