SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_059151135.1 NCBI__GCF_001046635.1:WP_059151135.1 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)

5wjsA Crystal structure of oxidoreductase (short chain dehydrogenase/reductase family) from burkholderia thailandensis complexed with nadh
50% identity, 99% coverage: 2:250/251 of query aligns to 9:257/258 of 5wjsA

query
sites
5wjsA

A

A

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R

Y

Y

P

P

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S

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A

G

G

K

R

G

A

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x
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N

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A

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N

D

D

D

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R

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H

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Y

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K

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active site: G27 (= G20), S152 (= S146), Y162 (≠ L156), Y165 (= Y159), K169 (= K163)
binding 1,4-dihydronicotinamide adenine dinucleotide: G23 (= G16), T26 (≠ S19), I28 (= I21), D47 (= D40), L48 (≠ I41), D73 (= D67), L74 (= L68), N100 (= N94), A102 (= A96), L150 (≠ F144), G151 (= G145), S152 (= S146), K169 (= K163), P195 (= P189), G196 (= G190), W197 (≠ N191), V198 (= V192), K202 (≠ R196)

7wwxA Crystal structure of herbaspirillum huttiense l-arabinose 1- dehydrogenase (NAD bound form) (see paper)
49% identity, 100% coverage: 1:250/251 of query aligns to 3:253/254 of 7wwxA

query
sites
7wwxA

M

L

A

A

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N

Y

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K

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G

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G

G

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P

E

E

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G

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E

A

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N

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binding nicotinamide-adenine-dinucleotide: G18 (= G16), T21 (≠ S19), I23 (= I21), D42 (= D40), I43 (= I41), C68 (≠ G66), D69 (= D67), L70 (= L68), N96 (= N94), A98 (= A96), F146 (= F144), S147 (≠ G145), S148 (= S146), Y161 (= Y159), K165 (= K163), P191 (= P189), G192 (= G190), W193 (≠ N191), V194 (= V192), R198 (= R196)

5itvA Crystal structure of bacillus subtilis bacc dihydroanticapsin 7- dehydrogenase in complex with nadh (see paper)
33% identity, 98% coverage: 6:250/251 of query aligns to 4:252/255 of 5itvA

query
sites
5itvA

S

N

L

L

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D

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Y

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active site: G18 (= G20), S141 (= S146), Y154 (= Y159), K158 (= K163)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G16), S17 (= S19), G18 (= G20), I19 (= I21), D38 (= D40), I39 (= I41), T61 (≠ G66), I63 (≠ L68), N89 (= N94), G91 (≠ A96), T139 (≠ F144), S141 (= S146), Y154 (= Y159), K158 (= K163), P184 (= P189), G185 (= G190), I186 (≠ N191), I187 (≠ V192)

4fn4A Short-chain NAD(h)-dependent dehydrogenase/reductase from sulfolobus acidocaldarius (see paper)
34% identity, 98% coverage: 3:249/251 of query aligns to 1:250/254 of 4fn4A

query
sites
4fn4A

S

S

Y

Y

P

Q

S

S

L

L

R

K

G

N

K

K

G

V

V

V

F

I

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S

T

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G

G

A

G

G

S
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S

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G

I
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I

G

G

A

R

A

A

L

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A

E

K

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K

F

F

A

A

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F

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V

D
x
E

I
x
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A

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E

E

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x
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A

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E

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L

-

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Y

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D

I

V

L

L

V

C

N

N

N
|
N

A

A

A
x
G

-
x
I

N

M

D

D

D

G

R

V

H

T

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I

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A

A

E

E

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Y

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N

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A

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M

E

L

A

K

A

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G

G

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K

G

G

V

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V

N

N

F
x
T

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S
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S

I

I

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A

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A

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x
N

R
x
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W

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E
x
S

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A

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C

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E

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L

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G

active site: G18 (= G20), S144 (= S146), Y157 (= Y159), K161 (= K163), S202 (≠ E204)
binding nicotinamide-adenine-dinucleotide: G14 (= G16), S17 (= S19), G18 (= G20), I19 (= I21), E38 (≠ D40), L39 (≠ I41), R43 (≠ P45), A63 (≠ T69), D64 (= D70), V65 (≠ L71), N91 (= N94), G93 (≠ A96), I94 (vs. gap), T142 (≠ F144), S144 (= S146), Y157 (= Y159), K161 (= K163), P187 (= P189), V190 (= V192), T192 (= T194), N193 (≠ P195), I194 (≠ R196)

1nfqA Rv2002 gene product from mycobacterium tuberculosis (see paper)
37% identity, 97% coverage: 7:249/251 of query aligns to 4:236/244 of 1nfqA

query
sites
1nfqA

L

L

R

T

G

G

K

K

G

V

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F

L

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V

S

S

G

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x
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N

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x
L

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Y

E

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W

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N

N

L

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F

F

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R

A

A

A

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V

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K

L

P

M

M

E

K

A

E

A

A

G

G

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R

G

G

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S

I

I

L

I

N

N

F
x
I

G

S

S
|
S

I

I

S
x
E

W

G

H

L

L

A

A

G

L

T

D

V

Q

A

L
x
C

S

H

L

G

Y
|
Y

Q

T

T

A

A

T

K
|
K

A

F

G

A

I

V

E

R

G

G

M

L

T

T

R

K

A

S

M

T

A

A

R

L

E

E

L

L

G

G

G

P

K

S

G

G

I

I

R

R

V

V

C

N

A

S

I

I

V

H

P
|
P

G

G

N

L

V
|
V

Q

K

T
|
T

P
|
P

R
x
M

Q
x
T

E

D

K

-

W

-

Y

W

T
x
V

P

P

E

E

G

-

E

-

R

-

E

D

I
|
I

L
x
F

D

Q

A

-

Q

T

C

A

L

L

K

G

S

R

R

A

V

A

Q

E

P

P

D

V

D

E

V

V

A

S

A

N

L

L

T

V

L

V

F

Y

L

L

A

A

S

S

D

D

D

E

A

S

R

S

M

Y

C

S

T

T

G

G

H

A

E

E

Y

F

F

V

V

V

D

D

A

G

G

G

active site: G17 (= G20), S139 (= S146), Y152 (= Y159), K156 (= K163)
binding Androsterone: L91 (≠ D98), E141 (≠ S148), C149 (≠ L156), Y152 (= Y159), V193 (≠ T202), I197 (= I209), F198 (≠ L210)
binding 1,4-dihydronicotinamide adenine dinucleotide: R16 (≠ S19), G17 (= G20), M18 (≠ I21), D37 (= D40), L39 (≠ A42), L59 (≠ G66), D60 (= D67), V61 (≠ L68), N87 (= N94), A88 (= A95), I137 (≠ F144), S139 (= S146), Y152 (= Y159), K156 (= K163), P182 (= P189), V185 (= V192), T187 (= T194), P188 (= P195), M189 (≠ R196), T190 (≠ Q197)

1nffA Crystal structure of rv2002 gene product from mycobacterium tuberculosis (see paper)
37% identity, 97% coverage: 7:249/251 of query aligns to 4:236/244 of 1nffA

query
sites
1nffA

L

L

R

T

G

G

K

K

G

V

V

A

F

L

V

V

S

S

G
|
G

G

G

G

A

S
x
R

G
|
G

I
x
M

G

G

A

A

A

S

L

H

V

V

E

R

G

A

F

M

A

V

R

A

Q

E

G

G

A

A

K

K

V

V

L

V

F

F

V

G

D
|
D

I
|
I

A
x
L

D

D

E

E

P

E

S

G

Q

K

A

A

L

M

V

A

A

A

K

E

L

L

D

A

G

-

E

-

V

-

D

-

F

D

T

A

P

A

R

R

F

Y

V

V

C

H

G
x
L

D
|
D

L
x
V

T

T

D

Q

L

P

A

A

F

Q

V

W

K

K

A

A

Q

A

V

V

E

D

A

T

A

A

H

V

V

T

L

A

L

F

G

G

L

L

Q

H

I

V

L

L

V

V

N

N

N
|
N

A
|
A

A
x
G

N
x
I

D

L

D

N

R

I

H

G

A

T

I

I

A

E

E

D

V

Y

T

A

P

L

E

T

Y

E

W

W

D

Q

E

R

R

I

M

L

A

D

V

V

N

N

L

L

R

T

H

G

L

V

F

F

F

L

A

G

A

I

Q

R

A

A

A

V

V

V

P

K

L

P

M

M

E

K

A

E

A

A

G

G

G

R

G

G

V

S

I

I

L

I

N

N

F
x
I

G

S

S
|
S

I

I

S

E

W

G

H

L

L

A

A

G

L

T

D

V

Q

A

L

C

S

H

L

G

Y
|
Y

Q

T

T

A

A

T

K
|
K

A

F

G

A

I

V

E

R

G

G

M

L

T

T

R

K

A

S

M

T

A

A

R

L

E

E

L

L

G

G

G

P

K

S

G

G

I

I

R

R

V

V

C

N

A

S

I

I

V

H

P
|
P

G

G

N

L

V
|
V

Q

K

T
|
T

P
|
P

R
x
M

Q
x
T

E

D

K

-

W

-

Y

W

T

V

P

P

E

E

G

-

E

-

R

-

E

D

I

I

L

F

D

Q

A

-

Q

T

C

A

L

L

K

G

S

R

R

A

V

A

Q

E

P

P

D

V

D

E

V

V

A

S

A

N

L

L

T

V

L

V

F

Y

L

L

A

A

S

S

D

D

D

E

A

S

R

S

M

Y

C

S

T

T

G

G

H

A

E

E

Y

F

F

V

V

V

D

D

A

G

G

G

active site: G17 (= G20), S139 (= S146), Y152 (= Y159), K156 (= K163)
binding nicotinamide-adenine-dinucleotide: G13 (= G16), R16 (≠ S19), G17 (= G20), M18 (≠ I21), D37 (= D40), I38 (= I41), L39 (≠ A42), L59 (≠ G66), D60 (= D67), V61 (≠ L68), N87 (= N94), A88 (= A95), G89 (≠ A96), I90 (≠ N97), I137 (≠ F144), S139 (= S146), Y152 (= Y159), K156 (= K163), P182 (= P189), V185 (= V192), T187 (= T194), P188 (= P195), M189 (≠ R196), T190 (≠ Q197)

P9WGT1 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase; NADH-dependent 3alpha, 20beta-hydroxysteroid dehydrogenase; EC 1.1.1.53 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see paper)
37% identity, 97% coverage: 7:249/251 of query aligns to 5:237/260 of P9WGT1

query
sites
P9WGT1

L

L

R
x
I

G

G

K

K

G

V

V

A

F

L

V

V

S

S

G

G

G

A

S
x
R

G

G

I
x
M

G

G

A

A

A

S

L

H

V

V

E

R

G

A

F

M

A

V

R

A

Q

E

G

G

A

A

K

K

V

V

L

V

F

F

V

G

D
|
D

I

I

A

L

D

D

E

E

P

E

S

G

Q

K

A

A

L
x
V

V

A

A

A

K

E

L

L

D

A

G

-

E

-

V

-

D

-

F

D

T

A

P

A

R

R

F

Y

V

V

C

H

G

L

D
|
D

L
x
V

T

T

D

Q

L

P

A

A

F

Q

V

W

K
x
T

A

A

Q

A

V

V

E

D

A

T

A

A

H

V

V

T

L

A

L

F

G

G

L

L

Q

H

I

V

L

L

V

V

N

N

N
|
N

A

A

A

G

N

I

D

L

D

N

R

I

H

G

A

T

I

I

A

E

E

D

V

Y

T

A

P

L

E

T

Y

E

W

W

D

Q

E

R

R

I

M

L

A

D

V

V

N

N

L

L

R

T

H

G

L

V

F

F

F

L

A

G

A

I

Q

R

A

A

A

V

V

V

P

K

L

P

M

M

E

K

A

E

A

A

G

G

G

R

G

G

V

S

I

I

L

I

N

N

F

I

G

S

S
|
S

I

I

S

E

W

G

H

L

L

A

A

G

L

T

D

V

Q

A

L

C

S

H

L

G

Y
|
Y

Q

T

T

A

A

T

K
|
K

A

F

G

A

I

V

E

R

G

G

M

L

T

T

R

K

A

S

M

T

A

A

R

L

E

E

L

L

G

G

G

P

K

S

G

G

I

I

R

R

V

V

C

N

A

S

I

I

V

H

P

P

G

G

N

L

V
|
V

Q

K

T
|
T

P

P

R

M

Q
x
T

E

D

K

-

W

-

Y

W

T

V

P

P

E

E

G

-

E

-

R

-

E

D

I

I

L

F

D

Q

A

-

Q

T

C

A

L

L

K

G

S

R

R

A

V

A

Q

E

P

P

D

V

D

E

V

V

A

S

A

N

L

L

T

V

L

V

F

Y

L

L

A

A

S

S

D

D

D

E

A

S

R

S

M

Y

C

S

T

T

G

G

H

A

E

E

Y

F

F

V

V

V

D

D

A

G

G

G

I6 (≠ R8) mutation to T: Maximal improvement in solubility; when associated with M-47 and K-69.
R17 (≠ S19) binding NAD(+)
M19 (≠ I21) binding NAD(+)
D38 (= D40) binding NAD(+)
V47 (≠ L49) mutation to M: Maximal improvement in solubility; when associated with T-6 and K-69.
D61 (= D67) binding NAD(+)
V62 (≠ L68) binding NAD(+)
T69 (≠ K75) mutation to K: Maximal improvement in solubility; when associated with T-6 and M-47.
N88 (= N94) binding NAD(+)
S140 (= S146) mutation to A: Complete loss of both oxidation of androsterone and reduction of progesterone; when associated with T-6; M-47 and K-69.
Y153 (= Y159) binding NAD(+); mutation to F: Complete loss of both oxidation of androsterone and reduction of progesterone; when associated with T-6; M-47 and K-69.
K157 (= K163) binding NAD(+)
V186 (= V192) binding NAD(+)
T188 (= T194) binding NAD(+)
T191 (≠ Q197) binding NAD(+)

6ixmC Crystal structure of the ketone reductase chkred20 from the genome of chryseobacterium sp. Ca49 complexed with NAD (see paper)
32% identity, 97% coverage: 7:250/251 of query aligns to 3:245/248 of 6ixmC

query
sites
6ixmC

L

L

R

D

G

N

K

K

G

V

V

A

F

L

V

V

S

T

G
|
G

G

A

G

G

S
|
S

G
|
G

I
|
I

G

G

A

L

A

A

L

V

V

A

E

H

G

S

F

Y

A

A

R

K

Q

E

G

G

A

A

K

K

V

V

L

I

F

V

V

S

D
|
D

I
|
I

A

N

D

E

E

D

P

H

S

G

Q

N

A

K

L

A

V

V

A

E

K

D

L

I

D

K

G

A

E

Q

V

-

D

G

F

G

T

E

P

A

R

S

F

F

V

V

C

K

G
x
A

D
|
D

L
x
T

T

S

D

N

L

P

A

E

F

E

V

V

K

E

A

A

Q

L

V

V

E

K

A

R

A

T

H

V

V

E

L

I

L

Y

G

G

G

R

L

L

Q

D

I

I

L

A

V

C

N

N

N
|
N

A
|
A

A

G

N

I

D

G

R

E

H

Q

A

A

I

L

A

A

-

G

E

D

V

Y

T

G

P

L

E

D

Y

S

W

W

D

R

E

K

R

V

M

L

A

S

V

I

N

N

L

L

R

D

H

G

L

V

F

F

F

Y

A

G

A

C

Q

K

A

Y

A

E

V

L

P

E

L

Q

M

M

E

E

A

K

A

N

G

G

V

V

I

I

L

V

N

N

F
x
M

G

A

S
|
S

I

I

S

H

W

G

H

I

L

V

A

A

L

A

D

P

Q

L

L

S

S

S

L

A

Y
|
Y

Q

T

T

S

A

A

K
|
K

A

H

G

A

I

V

E

V

G

G

M

L

T

T

R

K

A

N

M

I

A

G

R

A

E

E

L

Y

G

G

G

Q

K

K

G

N

I

I

R

R

V

C

C

N

A

A

I

V

V

G

P
|
P

G
x
A

N
x
Y

V
x
I

Q

E

T

T

P

P

R
x
L

Q

L

E

E

K

S

W

L

Y

-

T

T

P

K

E

E

G

M

E

K

R

E

E

A

I

L

L

I

D

S

A

K

Q

H

C

P

L

M

K

G

S

R

R

L

V

G

Q

K

P

P

D

E

V

V

A

A

A

E

L

L

T

V

L

L

F

F

L

L

A

S

S

S

D

E

D

K

A

S

R

S

M

F

C

M

T

T

G

G

H

G

E

Y

Y

Y

F

L

V

V

D

D

A

G

G

G

W

Y

active site: G16 (= G20), S142 (= S146), Y155 (= Y159), K159 (= K163)
binding nicotinamide-adenine-dinucleotide: G12 (= G16), S15 (= S19), G16 (= G20), I17 (= I21), D36 (= D40), I37 (= I41), A61 (≠ G66), D62 (= D67), T63 (≠ L68), N89 (= N94), A90 (= A95), M140 (≠ F144), S142 (= S146), Y155 (= Y159), K159 (= K163), P185 (= P189), A186 (≠ G190), Y187 (≠ N191), I188 (≠ V192), L192 (≠ R196)

3ak4A Crystal structure of nadh-dependent quinuclidinone reductase from agrobacterium tumefaciens
35% identity, 98% coverage: 7:251/251 of query aligns to 5:256/258 of 3ak4A

query
sites
3ak4A

L

L

R

S

G

G

K

R

G

K

V

A

F

I

V

V

S

T

G

G

G

S

S
x
K

G
|
G

I
|
I

G

G

A

A

L

I

V

A

E

R

G

A

F

L

A

D

R

K

Q

A

G

G

A

A

K

T

V

V

L

A

F

I

V

A

D
|
D

I
x
L

A

D

D

V

E

M

P

A

S

A

Q

Q

A

A

L

V

V

V

A

A

K

G

L

L

D

E

G

N

-

G

-

F

-

A

-

V

E

E

V
|
V

D
|
D

F
x
V

T

T

P

K

R

R

F

-

V

-

C

-

G

-

D

-

L

-

T

-

D

-

L

-

A

A

F

S

V

V

K

D

A

A

Q

A

V

M

E

Q

A

K

A

A

H

I

V

D

L

A

L

L

G

G

L

F

Q

D

I

L

L

L

V

C

N

A

N
|
N

A
|
A

A
x
G

N

V

D

S

D

T

R

M

H

R

A

P

I

A

A

V

E

D

V

I

T

T

P

D

E

E

Y

E

W

W

D

D

E

F

R

N

M

F

A

D

V

V

N

N

L

A

R

R

H

G

L

V

F

F

F

L

A

A

A

N

Q

Q

A

I

A

A

V

C

P

R

-

H

L

F

M

L

E

A

A

S

A

N

G

T

G

K

G

G

V

V

I

I

L

V

N

N

F
x
T

G

A

S
|
S

I

L

S

A

W

A

H

K

L

V

A

G

L

A

D

P

Q

L

L
|
L

S

A

L

H

Y
|
Y

Q

S

T

A

A

S

K
|
K

A

F

G

A

I

V

E

F

G

G

M

W

T

T

R

Q

A

A

M

L

A

A

R

R

E

E

L

M

G

A

G

P

K

K

G

N

I

I

R

R

V

V

C

N

A

C

I

V

V

C

P

P

G
|
G

N

F

V
|
V

Q

K

T
|
T

P

A

R
x
M

Q

Q

E

E

K

R

-

E

-

I

W

W

-
x
E

-

A

-

E

-

L

-

R

-

G

Y

M

T

T

P

P

E

E

G

A

E

V

R

R

-

A

E

E

I

Y

L

V

D

S

A

L

Q

T

C

P

L

L

K

G

S

R

R

I

V

E

Q

E

P

P

D

E

D

D

V

V

A

A

A

D

L

V

T

V

L

V

F

F

L

L

A

A

S

S

D

D

D

A

A

A

R

R

M

F

C

M

T

T

G

G

H

Q

E

G

Y

I

F

N

V

V

D

T

A

G

G

G

W

V

R

R

active site: G18 (= G20), S141 (= S146), L151 (= L156), Y154 (= Y159), K158 (= K163), E199 (vs. gap)
binding nicotinamide-adenine-dinucleotide: K17 (≠ S19), G18 (= G20), I19 (= I21), D38 (= D40), L39 (≠ I41), V60 (= V57), D61 (= D58), V62 (≠ F59), N88 (= N94), A89 (= A95), G90 (≠ A96), T139 (≠ F144), S141 (= S146), Y154 (= Y159), K158 (= K163), G185 (= G190), V187 (= V192), T189 (= T194), M191 (≠ R196)

6ihhA Crystal structure of rasadh f12 from ralstonia.Sp in complex with NADPH and a6o
33% identity, 97% coverage: 7:249/251 of query aligns to 4:245/249 of 6ihhA

query
sites
6ihhA

L

L

R

L

G

N

K

K

G

T

V

A

F

V

V

I

S

T

G
|
G

G

G

G
x
N

S
|
S

G
|
G

I
|
I

G

G

A

L

A

A

L

T

V

A

E

K

G

R

F

F

A

V

R

A

Q

E

G

G

A

A

K

Y

V

V

L

F

F

I

V

V

D

G

I
x
R

A
x
R

D

R

E

K

P

E

S

L

Q

E

A

Q

L

A

V

A

A

A

K

E

L

I

D

G

G

R

E

N

V

V

D

T

F

A

T

-

P

-

R

-

F

-

V

V

C

K

G

A

D
|
D

L
x
V

T

T

D

K

L

L

A

E

F

D

V

L

K

D

A

R

Q

L

V

Y

E

A

A

I

A

V

H

R

V

E

L

Q

L

R

G

G

G

S

L

I

Q

D

I

V

L

L

V

F

N

A

N
|
N

A
x
S

A
x
G

N

A

D

V

D

E

R

Q

H

K

A

T

I

L

A

E

E

E

V

I

T

T

P

P

E

E

Y

H

W

Y

D

D

E

R

R

T

M

F

A

D

V
|
V

N

N

L

V

R

R

H

G

L

L

F

I

F

F

A

T

A

V

Q

Q

A

K

A

A

V

L

P

P

L

L

M

L

E

R

A

D

A

-

G

G

G

S

V

V

I

I

L

L

N
x
T

F

-

G

S

S
|
S

I

V

S

A

W

G

H

V

L

L

A

G

L

L

D

Q

Q

A

L
x
H

S

D

L

T

Y
|
Y

Q

S

T

A

A

A

K
|
K

A

A

G

A

I

V

E

R

G

S

M

L

T

A

R

R

A

T

M

W

A

T

R

T

E

E

L

L

G

K

G

G

K

R

G

S

I

I

R

R

V

V

C

N

A

A

I

V

V

S

P
|
P

G
|
G

N
x
A

V
x
I

Q

D

T
|
T

P

P

R
x
S

Q
x
L

E

E

K

N

W

N

Y

V

T

S

P

T

E

Q

G

E

E

E

R

A

E

D

I

E

L

L

D

R

A

A

Q

K

C

A

L

A

K

A

S

A

-

T

-

P

-

L

-

G

R

R

V

V

-

G

Q

R

P

P

D

E

V

L

A

A

L

A

T

V

L

L

F

F

L

L

A

A

S

S

D

D

A

S

R

S

M

Y

C

V

T

A

G

G

H

I

E

E

Y

L

F

F

V

V

D

D

A

G

G

G

binding (2R,3S)-2-ethyl-2-[(2E)-2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-3-oxidanyl-cyclopentan-1-one: S137 (= S146), H147 (≠ L156), Y150 (= Y159), L188 (≠ Q197)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G16), N15 (≠ G18), S16 (= S19), G17 (= G20), I18 (= I21), R38 (≠ I41), R39 (≠ A42), D60 (= D67), V61 (≠ L68), N87 (= N94), S88 (≠ A95), G89 (≠ A96), V110 (= V117), T135 (≠ N143), S137 (= S146), Y150 (= Y159), K154 (= K163), P180 (= P189), G181 (= G190), A182 (≠ N191), I183 (≠ V192), T185 (= T194), S187 (≠ R196)

Sites not aligning to the query:

binding (2R,3S)-2-ethyl-2-[(2E)-2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-3-oxidanyl-cyclopentan-1-one: 246

7v1qA Leifsonia alcohol dehydrogenases lnadh (see paper)
35% identity, 100% coverage: 1:250/251 of query aligns to 1:248/251 of 7v1qA

query
sites
7v1qA

M

M

A

A

S

Q

Y

Y

P

-

S

D

L

V

R

A

G

D

K

R

G

S

V

A

F

I

V

V

S

T

G
|
G

G

G

S
|
S

G
|
G

I
|
I

G

G

A

R

A

A

L

V

V

A

E

L

G

T

F

L

A

A

R

A

Q

S

G

G

A

A

K

A

V

V

L

L

F

V

V

T

D
|
D

I
x
L

A

N

D

E

E

E

P

H

S

A

Q

Q

A

A

L

V

V

V

A

A

K

E

L

I

D

E

G

A

E

A

V

G

D

G

F

K

T

A

P

A

R

A

F

L

V

A

C

G

G

-

D
|
D

L
x
V

T

T

D

D

L

P

A

A

F

F

V

G

K

E

A

A

Q

S

V

V

E

A

A

A

H

N

V

A

L

L

L

A

G

P

G

-

L

L

Q

K

I

I

L

A

V

V

N

N

N
|
N

A

A

A

G

-

I

N

G

D

G

D

E

R

A

H

A

A

T

I

V

A

G

E

D

V

Y

T

S

P

L

E

D

Y

S

W

W

D

R

E

K

R

V

M

I

A

E

V

V

N

N

L

L

R

N

H

A

L

V

F

F

F

Y

A

G

A

M

Q

Q

A

P

A

Q

V

L

P

K

L

A

M

M

E

A

A

A

A

N

G

G

V

A

I

I

L

V

N

N

F
x
M

G

A

S

S

I

I

S

L

W

G

H

S

L

V

A

G

L

F

D

A

Q

N

L

S

S

S

L

A

Y
|
Y

Q

V

T

T

A

A

K
|
K

A

H

G

A

I

L

E

L

G

G

M

L

T

T

R

Q

A

N

M

A

A

A

R

L

E

E

L

Y

G

A

K

D

G

K

I

V

R

R

V

V

C

V

A

A

I

V

V

G

P
|
P

G
|
G

N
x
F

V
x
I

Q

R

T

T

P

P

R

L

Q

V

E

E

K

A

W

N

Y

L

T

S

P

A

E

E

G

A

E

L

R

A

E

F

I

L

L

E

D

G

A

K

Q

H

C

A

L

L

K

G

S

R

R

L

V

G

Q

E

P

P

D

E

V

V

A

A

A

S

L

L

T

V

L

A

F

F

L

L

A

A

S

S

D

D

D

A

A

A

R

S

M

F

C

I

T

T

G

G

H

S

E

Y

Y

H

F

L

V

V

D

D

A

G

G

G

W

Y

binding nicotinamide-adenine-dinucleotide: G15 (= G16), S18 (= S19), G19 (= G20), I20 (= I21), D39 (= D40), L40 (≠ I41), D65 (= D67), V66 (≠ L68), N91 (= N94), M142 (≠ F144), Y157 (= Y159), K161 (= K163), P187 (= P189), G188 (= G190), F189 (≠ N191), I190 (≠ V192)

4bmsF Short chain alcohol dehydrogenase from ralstonia sp. Dsm 6428 in complex with NADPH
33% identity, 97% coverage: 7:249/251 of query aligns to 4:245/249 of 4bmsF

query
sites
4bmsF

L

L

R

L

G

N

K

K

G

T

V

A

F

V

V

I

S

T

G
|
G

G

G

G
x
N

S
|
S

G

G

I
|
I

G

G

A

L

A

A

L

T

V

A

E

K

G

R

F

F

A

V

R

A

Q

E

G

G

A

A

K

Y

V

V

L

F

F

I

V

V

D

G

I
x
R

A
x
R

D

R

E

K

P

E

S

L

Q

E

A

Q

L

A

V

A

A

A

K

E

L

I

D

G

G

R

E

N

V

V

D

T

F

A

T

-

P

-

R

-

F

-

V

V

C

K

G
x
A

D
|
D

L
x
V

T

T

D

K

L

L

A

E

F

D

V

L

K

D

A

R

Q

L

V

Y

E

A

A

I

A

V

H

R

V

E

L

Q

L

R

G

G

G

S

L

I

Q

D

I

V

L

L

V

F

N

A

N
|
N

A
x
S

A
x
G

N

A

D

I

D

E

R

Q

H

K

A

T

I

L

A

E

E

E

V

I

T

T

P

P

E

E

Y

H

W

Y

D

D

E

R

R

T

M

F

A

D

V
|
V

N

N

L

V

R

R

H

G

L

L

F

I

F

F

A

T

A

V

Q

Q

A

K

A

A

V

L

P

P

L

L

M

L

E

R

A

D

A

-

G

G

G

S

V

V

I

I

L

L

N

T

F

-

G

S

S
|
S

I

V

S

A

W

G

H

V

L

L

A

G

L

L

D

Q

Q

A

L
x
H

S

D

L

T

Y
|
Y

Q

S

T

A

A

A

K
|
K

A

A

G

A

I

V

E

R

G

S

M

L

T

A

R

R

A

T

M

W

A

T

R

T

E

E

L

L

G

K

G

G

K

R

G

S

I

I

R

R

V

V

C

N

A

A

I

V

V

S

P

P

G
|
G

N

A

V
x
I

Q

D

T
|
T

P

P

R
x
I

Q

I

E

E

K

N

W

Q

Y

V

T

S

P

T

E
x
Q

G

E

E

E

R

A

E

D

I

E

L

L

D

R

A

A

Q

K

C

F

L

A

K

A

S

A

-

T

-

P

-

L

-

G

R

R

V

V

-

G

Q

R

P

P

D

E

V

L

A

A

L

A

T

V

L

L

F

F

L

L

A

A

S

S

D

D

A

S

R

S

M

Y

C

V

T

A

G

G

H

I

E

E

Y

L

F

F

V

V

D

D

A

G

G

G

active site: S137 (= S146), H147 (≠ L156), Y150 (= Y159), K154 (= K163), Q195 (≠ E204)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G16), N15 (≠ G18), S16 (= S19), I18 (= I21), R38 (≠ I41), R39 (≠ A42), A59 (≠ G66), D60 (= D67), V61 (≠ L68), N87 (= N94), S88 (≠ A95), G89 (≠ A96), V110 (= V117), S137 (= S146), Y150 (= Y159), K154 (= K163), G181 (= G190), I183 (≠ V192), T185 (= T194), I187 (≠ R196)

1vl8B Crystal structure of gluconate 5-dehydrogenase (tm0441) from thermotoga maritima at 2.07 a resolution
32% identity, 97% coverage: 7:250/251 of query aligns to 4:249/252 of 1vl8B

query
sites
1vl8B

L

L

R

R

G

G

K

R

G

V

V

A

F

L

V

V

S

T

G
|
G

G

G

G

S

S
x
R

G
|
G

I
x
L

G

G

A

F

A

G

L

I

V

A

E

Q

G

G

F

L

A

A

R

E

Q

A

G

G

A

C

K

S

V

V

L

V

F

V

-

A

-
x
S

-
x
R

-

N

V

L

D

E

I

E

A

A

D

S

E

E

P

A

S

A

Q

Q

A

K

L

L

V

T

A

E

K

K

L

Y

D

G

G

V

E

E

V

-

D

-

F

-

T

T

P

M

R

A

F

F

V

R

C
|
C

G

-

D
|
D

L
x
V

T

S

D

N

L

Y

A

E

F

E

V

V

K

K

A

K

Q

L

V

L

E

E

A

A

A

V

H

K

V

E

L

K

L

F

G

G

G

K

L

L

Q

D

I

T

L

V

V

V

N

N

N
x
A

A
|
A

A
x
G

N
x
I

D

N

D

R

R

R

H

H

A

P

I

A

A

E

E

E

V

F

T

P

P

L

E

D

Y

E

W

F

D

R

E

Q

R

V

M

I

A

E

V
|
V

N

N

L

L

R

F

H

G

L

T

F

Y

A

V

A

C

Q

R

A

E

A

A

V

F

P

S

L

L

M

L

E

R

A

E

A

S

G

D

G

N

G

P

V

S

I

I

L

I

N

N

F
x
I

G

G

S
|
S

I

L

S

T

W

V

H

E

-

E

L

V

A

T

L

M

D

P

Q

N

L
x
I

S

S

L

A

Y
|
Y

Q

A

T

A

A

S

K
|
K

A

G

G

G

I

V

E

A

G

S

M

L

T

T

R

K

A

A

M

L

A

A

R

K

E

E

L

W

G

G

G

R

K

Y

G

G

I

I

R

R

V

V

C

N

A

V

I

I

V

A

P
|
P

G
|
G

N

W

V
x
Y

Q

R

T
|
T

P

K

R
x
M

Q
x
T

E

E

K

A

W

V

Y

F

T

S

-

D

P

P

E

E

G

K

E

L

R

D

E

Y

I

M

L

L

D

K

A

R

Q

I

C

P

L

L

K

G

S

R

R

T

V

G

Q

V

P

P

D

E

D

D

V

L

A

K

A

G

L

V

T

A

L

V

F

F

L

L

A

A

S

S

D

E

A

A

R

K

M

Y

C

V

T

T

G

G

H

Q

E

I

Y

I

F

F

V

V

D

D

A

G

G

G

W

W

active site: G17 (= G20), S143 (= S146), I154 (≠ L156), Y157 (= Y159), K161 (= K163)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G16), R16 (≠ S19), G17 (= G20), L18 (≠ I21), S37 (vs. gap), R38 (vs. gap), C63 (= C65), D64 (= D67), V65 (≠ L68), A91 (≠ N94), A92 (= A95), G93 (≠ A96), I94 (≠ N97), V114 (= V117), I141 (≠ F144), S143 (= S146), Y157 (= Y159), K161 (= K163), P187 (= P189), G188 (= G190), Y190 (≠ V192), T192 (= T194), M194 (≠ R196), T195 (≠ Q197)

4urfB Molecular genetic and crystal structural analysis of 1-(4- hydroxyphenyl)-ethanol dehydrogenase from aromatoleum aromaticum ebn1 (see paper)
31% identity, 97% coverage: 7:250/251 of query aligns to 3:245/248 of 4urfB

query
sites
4urfB

L

L

R

E

G

G

K

K

G

T

V

A

F

L

V

V

S

T

G
|
G

G

A

G
|
G

S
x
N

G
|
G

I
|
I

G

G

A

R

A

T

L

I

V

A

E

L

G

T

F

Y

A

A

R

A

Q

E

G

G

A

A

K

N

V

V

L

V

F

V

V

S

D
|
D

I
|
I

A

S

D

D

E

E

P

W

S

G

Q

R

A

E

L

T

V

L

A

A

K

L

L

I

D

E

G

G

E

K

V

-

D

G

F

G

T

K

P

A

R

V

F

F

V

Q

C

H

G

A

D
|
D

L
x
T

T

A

D

H

L

P

A

E

F

D

V

H

K

D

A

E

Q

L

V

I

E

A

A

A

H

K

V

R

L

A

L

F

G

G

G

R

L

L

Q

D

I

I

L

A

V

C

N

N

N
|
N

A
|
A

A
x
G

-
x
I

N

S

D
x
G

D

E

R

F

H

T

A

P

I

T

A

A

E

E

V

T

T

T

P

D

E

A

Y

Q

W

W

D

Q

E
x
R

R

V

M

I

A

G

V

I

N

N

L

L

R

S

H

G

L

V

F

F

F

Y

A

G

A

V

Q

R

A

A

A

Q

V

I

P

R

L

A

M

M

E

L

A

E

A

T

G

G

V

A

I

I

L

V

N

N

F
x
I

G

S

S
|
S

I

I

S

A

W

G

H

Q

L

I

A

G

L

I

D

E

Q

G

L
x
I

S

T

L

P

Y
|
Y

Q

T

T

A

A

A

K
|
K

A

H

G

G

I

V

E

V

G

G

M

L

T

T

R

K

A

T

M

V

A

A

R

W

E

E

L

Y

G

G

G

S

K

K

G

G

I

I

R
|
R

V

I

C

N

A

S

I

V

V

G

P
|
P

G
x
A

N

F

V
x
I

Q

N

T
|
T

P

T

R

L

Q

V

E

Q

K

N

W

-

Y

-

T

V

P

P

-

L

E

E

G

T

E

R

R

R

E

Q

I

L

L

E

D

Q

A

M

Q

H

C

A

L
|
L

K
x
R

S
x
R

R

L

V

G

Q

E

P

T

D

E

V

V

A

A

A

N

L

L

T

V

L

A

F

W

L

L

A

S

S
|
S

D

D

D

K

A

A

R

S

M

F

C

V

T

T

G

G

H

S

E

Y

Y

Y

F

A

V

V

D

D

A

G

G

G

W

Y

active site: G16 (= G20), S142 (= S146), I152 (≠ L156), Y155 (= Y159), K159 (= K163)
binding 3-pyridinium-1-ylpropane-1-sulfonate: L210 (= L215), R211 (≠ K216), R212 (≠ S217)
binding bicarbonate ion: I92 (vs. gap), G94 (≠ D98), R109 (≠ E113), R179 (= R183), S228 (= S233)
binding nicotinamide-adenine-dinucleotide: G12 (= G16), G14 (= G18), N15 (≠ S19), G16 (= G20), I17 (= I21), D36 (= D40), I37 (= I41), D62 (= D67), T63 (≠ L68), N89 (= N94), A90 (= A95), G91 (≠ A96), I140 (≠ F144), Y155 (= Y159), K159 (= K163), P185 (= P189), A186 (≠ G190), I188 (≠ V192), T190 (= T194)

4urfA Molecular genetic and crystal structural analysis of 1-(4- hydroxyphenyl)-ethanol dehydrogenase from aromatoleum aromaticum ebn1 (see paper)
31% identity, 97% coverage: 7:250/251 of query aligns to 3:245/248 of 4urfA

query
sites
4urfA

L

L

R

E

G

G

K

K

G

T

V

A

F

L

V

V

S

T

G
|
G

G

A

G
|
G

S
x
N

G
|
G

I
|
I

G

G

A

R

A

T

L

I

V

A

E

L

G

T

F

Y

A

A

R

A

Q

E

G

G

A

A

K

N

V

V

L

V

F

V

V

S

D
|
D

I
|
I

A

S

D

D

E

E

P
x
W

S

G

Q

R

A

E

L

T

V

L

A

A

K

L

L

I

D

E

G

G

E

K

V

-

D

G

F

G

T

K

P

A

R

V

F

F

V

Q

C

H

G

A

D
|
D

L
x
T

T

A

D

H

L

P

A

E

F

D

V

H

K

D

A

E

Q

L

V

I

E

A

A

A

H

K

V

R

L

A

L

F

G

G

G

R

L

L

Q

D

I

I

L

A

V

C

N

N

N
|
N

A
|
A

A
x
G

-
x
I

N
x
S

D
x
G

D
x
E

R

F

H
x
T

A

P

I

T

A

A

E
|
E

V

T

T
|
T

P

D

E

A

Y
x
Q

W

W

D

Q

E
x
R

R

V

M

I

A

G

V

I

N

N

L

L

R

S

H

G

L

V

F

F

F

Y

A

G

A

V

Q

R

A

A

A

Q

V

I

P

R

L

A

M

M

E

L

A

E

A

T

G

G

V

A

I

I

L

V

N

N

F
x
I

G

S

S
|
S

I

I

S

A

W

G

H

Q

L

I

A

G

L

I

D

E

Q

G

L
x
I

S

T

L

P

Y
|
Y

Q

T

T

A

A

A

K
|
K

A

H

G

G

I

V

E

V

G

G

M

L

T

T

R

K

A

T

M

V

A

A

R

W

E

E

L

Y

G

G

G
x
S

K

K

G
|
G

I

I

R

R

V

I

C

N

A

S

I

V

V

G

P
|
P

G

A

N

F

V
x
I

Q

N

T
|
T

P

T

R

L

Q

V

E

Q

K

N

W

-

Y

-

T

V

P

P

-

L

E

E

G

T

E

R

R

R

E

Q

I

L

L

E

D

Q

A

M

Q

H

C

A

L

L

K

R

S

R

R

L

V

G

Q

E

P

T

D

E

V

V

A

A

A

N

L

L

T

V

L

A

F

W

L

L

A

S

S

S

D

D

D

K

A

A

R

S

M

F

C

V

T

T

G

G

H
x
S

E
x
Y

Y

Y

F

A

V

V

D

D

A

G

G

G

W

Y

active site: G16 (= G20), S142 (= S146), I152 (≠ L156), Y155 (= Y159), K159 (= K163)
binding 3-pyridinium-1-ylpropane-1-sulfonate: I92 (vs. gap), S93 (≠ N97), G94 (≠ D98), E95 (≠ D99), T97 (≠ H101), E101 (= E105), T103 (= T107), Q106 (≠ Y110), R109 (≠ E113), S175 (≠ G179), G177 (= G181)
binding magnesium ion: S237 (≠ H242), Y238 (≠ E243)
binding nicotinamide-adenine-dinucleotide: G12 (= G16), G14 (= G18), N15 (≠ S19), G16 (= G20), I17 (= I21), D36 (= D40), I37 (= I41), W41 (≠ P45), D62 (= D67), T63 (≠ L68), N89 (= N94), A90 (= A95), G91 (≠ A96), I140 (≠ F144), Y155 (= Y159), K159 (= K163), P185 (= P189), I188 (≠ V192), T190 (= T194)

4ureB Molecular genetic and crystal structural analysis of 1-(4- hydroxyphenyl)-ethanol dehydrogenase from aromatoleum aromaticum ebn1 (see paper)
31% identity, 97% coverage: 7:250/251 of query aligns to 3:245/248 of 4ureB

query
sites
4ureB

L

L

R

E

G

G

K

K

G

T

V

A

F

L

V

V

S

T

G

G

G

A

G

G

S
x
N

G
|
G

I
|
I

G

G

A

R

A

T

L

I

V

A

E

L

G

T

F

Y

A

A

R

A

Q

E

G

G

A

A

K

N

V

V

L

V

F

V

V

S

D

D

I

I

A

S

D

D

E

E

P

W

S

G

Q

R

A

E

L

T

V

L

A

A

K

L

L

I

D

E

G

G

E

K

V

-

D

G

F

G

T

K

P

A

R

V

F

F

V

Q

C

H

G

A

D

D

L

T

T

A

D

H

L

P

A

E

F

D

V

H

K

D

A

E

Q

L

V

I

E

A

A

A

H

K

V

R

L

A

L

F

G

G

G

R

L

L

Q

D

I

I

L

A

V

C

N

N

N
|
N

A

A

A
x
G

-

I

N

S

D

G

D

E

R

F

H

T

A

P

I

T

A

A

E

E

V

T

T

T

P

D

E

A

Y

Q

W

W

D

Q

E

R

R

V

M

I

A

G

V

I

N

N

L

L

R

S

H

G

L

V

F

F

F

Y

A

G

A

V

Q

R

A

A

A

Q

V

I

P

R

L

A

M

M

E

L

A

E

A

T

G

G

V

A

I

I

L

V

N

N

F

I

G

S

S
|
S

I

I

S

A

W

G

H

Q

L

I

A

G

L

I

D

E

Q

G

L
x
I

S

T

L

P

Y
|
Y

Q

T

T

A

A

A

K
|
K

A

H

G

G

I

V

E

V

G

G

M

L

T

T

R

K

A

T

M

V

A

A

R

W

E

E

L

Y

G

G

G

S

K

K

G

G

I

I

R

R

V

I

C

N

A

S

I

V

V

G

P
|
P

G
x
A

N

F

V

I

Q

N

T

T

P

T

R

L

Q

V

E

Q

K

N

W

-

Y

-

T

V

P

P

-

L

E

E

G

T

E

R

R

R

E

Q

I

L

L

E

D

Q

A

M

Q

H

C

A

L

L

K

R

S

R

R

L

V

G

Q

E

P

T

D

E

V

V

A

A

A

N

L

L

T

V

L

A

F

W

L

L

A

S

S

S

D

D

D

K

A

A

R

S

M

F

C

V

T

T

G

G

H

S

E

Y

Y

Y

F

A

V

V

D

D

A

G

G

G

W

Y

active site: G16 (= G20), S142 (= S146), I152 (≠ L156), Y155 (= Y159), K159 (= K163)
binding 3-pyridinium-1-ylpropane-1-sulfonate: N15 (≠ S19), G16 (= G20), I17 (= I21), N89 (= N94), G91 (≠ A96), Y155 (= Y159), P185 (= P189), A186 (≠ G190)

6j7uA Crystal structure of blue fluorescent protein from metagenomic library in complex with NADPH (see paper)
35% identity, 98% coverage: 6:250/251 of query aligns to 2:245/247 of 6j7uA

query
sites
6j7uA

S

N

L

L

R

N

G

G

K

K

G

V

V

A

F

F

V

V

S

T

G
|
G

G

G

G
x
S

S
x
R

G
|
G

I
|
I

G

G

A

A

L

I

V

V

E

R

G

R

F

L

A

A

R

A

Q

D

G

G

A

A

K

D

V

I

L

A

F

F

V

T

D
x
Y

I
x
V

A
x
S

D

A

E

S

P
x
S

S

K

Q

N

-

V

-

A

-

T

A

A

L

L

V

V

A

Q

K

E

L

L

D

E

G

A

E

K

V

-

D

G

F

R

T

R

P

A

R

R

F

A

V

I

C

Q

G

A

D
|
D

L
x
S

T

A

D

D

L

P

A

A

F

Q

V

V

K

R

A

Q

Q

A

V

V

E

E

A

Q

A

A

H

I

V

V

L

Q

L

L

G

G

G

P

L

V

Q

D

I

V

L

L

V

V

N

N

N
|
N

A
|
A

A
x
G

N

I

D

F

D

L

R

A

H

G

A

P

I

L

A

G

E

E

V

V

T

T

P

L

E

D

Y

D

W

Y

D

E

E

R

R

T

M

M

A

N

V
x
I

N

N

L

V

R

R

H

A

L

P

F

F

F

V

A

A

A

I

Q

Q

A

A

V

Q

P

A

L

S

M

M

E

P

A

-

G

D

G

G

V

R

I

I

L

I

N

N

F

I

G
|
G

S
|
S

-

C

I

L

S

A

W

E

H

R

L

A

A

G

L

R

D

A

Q

G

L

V

S

T

L

L

Y
|
Y

Q

A

T

A

A

S

K
|
K

A

S

G

A

I

L

E

L

G

G

M

M

T

T

R

R

A

G

M

L

A

A

R

R

E

D

L

L

G

G

G

A

K

R

G

G

I

I

R

T

V

A

C

N

A

V

I

V

V

H

P
|
P

G

G

N

P

V

I

Q

D

T
|
T

P

-

R

-

Q

-

E

-

K

D

W
x
M

Y
x
N

T

P

P

A

E

D

G

G

E

E

R

R

-

S

-

G

E

E

I

L

L

V

D

A

A

V

Q

L

C

S

L

L

K

P

S

H

R

Y

V

G

Q

E

P

V

D

R

D

D

V

I

A

A

A

G

L

M

T

V

L

A

F

F

L

L

A

A

S

G

D

P

D

D

A

G

R

R

M

Y

C

V

T

T

G

G

H

A

E

S

Y

L

F

A

V

V

D

D

A

G

G

G

W

F

active site: G16 (= G20), S142 (= S146), Y156 (= Y159)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G12 (= G16), S14 (≠ G18), R15 (≠ S19), I17 (= I21), Y36 (≠ D40), V37 (≠ I41), S38 (≠ A42), S41 (≠ P45), D65 (= D67), S66 (≠ L68), N92 (= N94), A93 (= A95), G94 (≠ A96), I115 (≠ V117), G141 (= G145), S142 (= S146), Y156 (= Y159), K160 (= K163), P186 (= P189), T191 (= T194), M193 (≠ W200), N194 (≠ Y201)

5itvD Crystal structure of bacillus subtilis bacc dihydroanticapsin 7- dehydrogenase in complex with nadh (see paper)
33% identity, 98% coverage: 6:250/251 of query aligns to 4:224/227 of 5itvD

query
sites
5itvD

S

N

L

L

R

T

G

D

K

K

G

T

V

V

F

L

V

I

S

T

G
|
G

G

G

G

A

S
|
S

G
|
G

I
|
I

G

G

A

Y

A

A

L

A

V

V

E

Q

G

A

F

F

A

L

R

G

Q

Q

G

Q

A

A

K

N

V

V

L

V

F

V

V

A

D
|
D

I
|
I

A

D

D

E

E

A

P

Q

S

G

Q

E

A

A

L

M

V

V

A

R

K

K

L

-

D

-

G

-

E

E

V

N

D

N

F

D

T

R

P

L

R

H

F

F

V

V

C

Q

G
x
T

D
|
D

L
x
I

T

T

D

D

L

E

A

A

F

A

V

C

K

Q

A

H

Q

A

V

V

E

E

A

S

A

A

H

V

V

H

L

T

L

F

G

G

L

L

Q

D

I

V

L

L

V

I

N

N

N
|
N

A

A

A

G

N

I

D

E

D

I

R

V

H

A

A

P

I

I

A

H

E

E

V

M

T

E

P

L

E

S

Y

D

W

W

D

N

E

K

R

V

M

L

A

Q

V

V

N

N

L

L

R

T

H

G

L

M

F

F

F

L

A

M

A

S

Q

K

A

H

A

A

V

L

P

K

L

H

M

M

E

L

A

A

G

G

G

K

G

G

V

N

I

I

L

I

N

N

F
x
T

G

C

S
|
S

I

V

S

G

W

G

H

L

L

V

A

A

L

W

D

P

Q

D

L

I

S

P

L

A

Y
|
Y

Q

N

T

A

A

S

K
|
K

A

G

G

G

I

V

E

L

G

Q

M

L

T

T

R

K

A

S

M

M

A

A

R

V

E

D

L

Y

G

A

G

K

K

H

G

Q

I

I

R

R

V

V

C

N

A

C

I

V

V

C

P
|
P

G
|
G

N

I

V
x
I

Q

D

T

T

P

L

R

R

Q

L

E

G

K

K

W

-

Y

-

T

-

P

-

E

-

G

-

E

-

R

-

E

-

I

-

L

-

D

-

A

-

Q

-

C

-

L

-

K

-

S

-

R

-

V

-

Q

-

P

P

D

E

V

I

A

A

A

N

L

V

T

M

L

L

F

F

L

L

A

A

S

S

D

D

D

L

A

S

R

S

M

Y

C

M

T

T

G

G

H

S

E

A

Y

I

F

T

V

A

D

D

A

G

G

G

W

Y

active site: G18 (= G20), S141 (= S146), Y154 (= Y159), K158 (= K163)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G16), S17 (= S19), G18 (= G20), I19 (= I21), D38 (= D40), I39 (= I41), T61 (≠ G66), D62 (= D67), I63 (≠ L68), N89 (= N94), T139 (≠ F144), S141 (= S146), Y154 (= Y159), K158 (= K163), P184 (= P189), G185 (= G190), I187 (≠ V192)

3rwbA Crystal structure of complex of 4pal (4-pyridoxolactone) and pldh (tetrameric pyridoxal 4-dehydrogenase) from mesorhizobium loti
35% identity, 97% coverage: 7:249/251 of query aligns to 4:243/247 of 3rwbA

query
sites
3rwbA

L

L

R

A

G

G

K

K

G

T

V

A

F

L

V

V

S

T

G
|
G

G

A

S
x
Q

G
|
G

I
|
I

G

G

A

K

A

A

L

I

V

A

E

A

G

R

F

L

A

A

R

A

Q

D

G

G

A

A

K

T

V

V

L

I

F

V

V

S

D
|
D

I
|
I

A

N

D

A

E

E

P

G

S

A

Q

K

A

A

L

A

V

A

A

A

K

S

L

I

D

G

G

K

E

K

V

-

D

-

F

-

T

-

P

A

R

R

F

A

V

I

C

A

G

A

D
|
D

L
x
I

T

S

D

D

L

P

A

G

F

S

V

V

K

K

A

A

Q

L

V

F

E

A

A

E

A

I

H

Q

V

A

L

L

L

T

G

G

L

I

Q

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

A
x
S

N

I

D

V

D

P

R

F

H

V

A

A

I

W

A

D

E

D

V

V

T

D

P

L

E

D

Y

H

W

W

D

R

E

K

R

I

M

I

A

D

V

V

N

N

L

L

R

T

H

G

L

T

F

F

F

I

A

V

A

T

Q

R

A

A

A

G

V

T

P

D

L

Q

M

M

E

R

A

A

G

G

-

K

G

A

G

G

V

R

I

V

L

I

N

S

F
x
I

G

A

S
|
S

I
x
N

S
x
T

W

F

H

F

L

A

A

G

L

T

D

P

Q

N

L
x
M

S

A

L

A

Y
|
Y

Q

V

T

A

A

A

K
|
K

A

G

G

G

I

V

E

I

G

G

M

F

T

T

R

R

A

A

M

L

A

A

R

T

E

E

L

L

G

G

G

K

K

Y

G

N

I

I

R

T

V

A

C

N

A

A

I

V

V

T

P
|
P

G

G

N
x
L

V
x
I

Q

E

-
x
S

-

D

-
x
G

-
x
V

-

K

-

A

T

S

P

P

R
x
H

Q

N

E

E

K

A

W

F

Y

-

T

-

P

-

E

-

G

G

E

F

R

V

E

E

I

M

L

L

D

-

A

-

Q

Q

C

A

L

M

K

K

S

G

R

K

V

G

Q

Q

P

P

D

E

D

H

V

I

A

A

A

D

L

V

T

V

L

S

F

F

L

L

A

A

S

S

D

D

A

A

R

R

M

W

C

I

T

T

G

G

H

Q

E

T

Y

L

F

N

V

V

D

D

A

A

G

G

active site: G17 (= G20), S140 (= S146), Y153 (= Y159), K157 (= K163)
binding 7-hydroxy-6-methylfuro[3,4-c]pyridin-1(3H)-one: S140 (= S146), N141 (≠ I147), T142 (≠ S148), M150 (≠ L156), Y153 (= Y159), L185 (≠ N191), H196 (≠ R196)
binding nicotinamide-adenine-dinucleotide: G13 (= G16), Q16 (≠ S19), G17 (= G20), I18 (= I21), D37 (= D40), I38 (= I41), D60 (= D67), I61 (≠ L68), N87 (= N94), A88 (= A95), S89 (≠ A96), I138 (≠ F144), S140 (= S146), Y153 (= Y159), K157 (= K163), P183 (= P189), L185 (≠ N191), I186 (≠ V192), S188 (vs. gap), G190 (vs. gap), V191 (vs. gap)

3ndrA Crystal structure of tetrameric pyridoxal 4-dehydrogenase from mesorhizobium loti
35% identity, 97% coverage: 7:249/251 of query aligns to 4:243/247 of 3ndrA

query
sites
3ndrA

L

L

R

A

G

G

K

K

G

T

V

A

F

L

V

V

S

T

G
|
G

G

A

S
x
Q

G
|
G

I
|
I

G

G

A

K

A

A

L

I

V

A

E

A

G

R

F

L

A

A

R

A

Q

D

G

G

A

A

K

T

V

V

L

I

F

V

V

S

D
|
D

I
|
I

A

N

D

A

E

E

P

G

S

A

Q

K

A

A

L

A

V

A

A

A

K

S

L

I

D

G

G

K

E

K

V

-

D

-

F

-

T

-

P

A

R

R

F

A

V

I

C

A

G

A

D
|
D

L
x
I

T

S

D

D

L

P

A

G

F

S

V

V

K

K

A

A

Q

L

V

F

E

A

A

E

A

I

H

Q

V

A

L

L

L

T

G

G

L

I

Q

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

A
x
S

N

I

D

V

D

P

R

F

H

V

A

A

I

W

A

D

E

D

V

V

T

D

P

L

E

D

Y

H

W

W

D

R

E

K

R

I

M

I

A

D

V
|
V

N

N

L

L

R

T

H

G

L

T

F

F

F

I

A

V

A

T

Q

R

A

A

A

G

V

T

P

D

L

Q

M

M

E

R

A

A

G

G

-

K

G

A

G

G

V

R

I

V

L

I

N

S

F
x
I

G

A

S
|
S

I

N

S

T

W

F

H

F

L

A

A

G

L

T

D

P

Q

N

L

M

S

A

L

A

Y
|
Y

Q

V

T

A

A

A

K
|
K

A

G

G

G

I

V

E

I

G

G

M

F

T

T

R

R

A

A

M

L

A

A

R

T

E

E

L

L

G

G

G

K

K

Y

G

N

I

I

R

T

V

A

C

N

A

A

I

V

V

T

P
|
P

G

G

N
x
L

V
x
I

Q

E

-
x
S

-

D

-
x
G

-
x
V

-

K

-

A

T

S

P

P

R

H

Q

N

E

E

K

A

W

F

Y

-

T

-

P

-

E

-

G

G

E

F

R

V

E

E

I

M

L

L

D

-

A

-

Q

Q

C

A

L

M

K

K

S

G

R

K

V

G

Q

Q

P

P

D

E

D

H

V

I

A

A

A

D

L

V

T

V

L

S

F

F

L

L

A

A

S

S

D

D

A

A

R

R

M

W

C

I

T

T

G

G

H

Q

E

T

Y

L

F

N

V

V

D

D

A

A

G

G

active site: G17 (= G20), S140 (= S146), Y153 (= Y159), K157 (= K163)
binding nicotinamide-adenine-dinucleotide: G13 (= G16), Q16 (≠ S19), G17 (= G20), I18 (= I21), D37 (= D40), I38 (= I41), D60 (= D67), I61 (≠ L68), N87 (= N94), A88 (= A95), S89 (≠ A96), V110 (= V117), I138 (≠ F144), S140 (= S146), Y153 (= Y159), K157 (= K163), P183 (= P189), L185 (≠ N191), I186 (≠ V192), S188 (vs. gap), G190 (vs. gap), V191 (vs. gap)

Query Sequence

>WP_059151135.1 NCBI__GCF_001046635.1:WP_059151135.1
MASYPSLRGKGVFVSGGGSGIGAALVEGFARQGAKVLFVDIADEPSQALVAKLDGEVDFT
PRFVCGDLTDLAFVKAQVEAAHVLLGGLQILVNNAANDDRHAIAEVTPEYWDERMAVNLR
HLFFAAQAAVPLMEAAGGGVILNFGSISWHLALDQLSLYQTAKAGIEGMTRAMARELGGK
GIRVCAIVPGNVQTPRQEKWYTPEGEREILDAQCLKSRVQPDDVAALTLFLASDDARMCT
GHEYFVDAGWR

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