SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing GFF1748 FitnessBrowser__Marino:GFF1748 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)

Q6WVP7 NADP-dependent (R)-specific alcohol dehydrogenase; (R)-specific ADH; Ketoreductase; KRED; EC 1.1.1.- from Lentilactobacillus kefiri (Lactobacillus kefiri) (see paper)
48% identity, 100% coverage: 2:256/256 of query aligns to 3:252/252 of Q6WVP7

query
sites
Q6WVP7

E

D

R

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Q

TLGI 16:19 (≠ SVGI 15:18) binding
RH 39:40 (≠ CQ 38:39) binding
DA 63:64 (≠ DV 63:64) binding
N90 (= N90) binding
Y156 (= Y156) binding
K160 (= K160) binding
IKTPL 191:195 (≠ IWTPL 189:193) binding
Q252 (≠ R256) binding

1zk1A Structure of r-specific alcohol dehydrogenase (mutant g37d) from lactobacillus brevis in complex with phenylethanol and NAD (see paper)
49% identity, 99% coverage: 3:256/256 of query aligns to 3:251/251 of 1zk1A

query
sites
1zk1A

R

R

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active site: G17 (= G17), S142 (= S143), Y155 (= Y156), K159 (= K160)
binding 1-phenylethanone: A93 (= A94), N95 (= N97), Y155 (= Y156), Y189 (≠ F188)
binding nicotinamide-adenine-dinucleotide: G13 (= G13), L16 (≠ V16), I18 (= I18), D37 (= D37), H61 (≠ C62), D62 (= D63), S63 (≠ V64), N89 (= N90), A90 (= A91), I92 (= I93), M140 (≠ L141), Y155 (= Y156), G188 (= G187), I190 (= I189), L194 (= L193)

1zjzA Structure of r-specific alcohol dehydrogenase (mutant g37d) from lactobacillus brevis in complex with phenylethanol and NAD (see paper)
49% identity, 99% coverage: 3:256/256 of query aligns to 3:251/251 of 1zjzA

query
sites
1zjzA

R

R

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active site: G17 (= G17), S142 (= S143), Y155 (= Y156), K159 (= K160)
binding nicotinamide-adenine-dinucleotide: G13 (= G13), L16 (≠ V16), I18 (= I18), D37 (= D37), D62 (= D63), N89 (= N90), A90 (= A91), G91 (= G92), I92 (= I93), Y155 (= Y156), G188 (= G187), I190 (= I189), L194 (= L193)
binding (1r)-1-phenylethanol: A93 (= A94), N95 (= N97), L152 (≠ I153), Y155 (= Y156)

1zjyA Structure of r-specific alcohol dehydrogenase (mutant g37d) from lactobacillus brevis in complex with phenylethanol and nadh (see paper)
49% identity, 99% coverage: 3:256/256 of query aligns to 3:251/251 of 1zjyA

query
sites
1zjyA

R

R

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active site: G17 (= G17), S142 (= S143), Y155 (= Y156), K159 (= K160)
binding 1,4-dihydronicotinamide adenine dinucleotide: G13 (= G13), L16 (≠ V16), G17 (= G17), I18 (= I18), D37 (= D37), D62 (= D63), N89 (= N90), A90 (= A91), G91 (= G92), I92 (= I93), Y155 (= Y156), G188 (= G187), I190 (= I189), L194 (= L193)
binding (1r)-1-phenylethanol: A93 (= A94), N95 (= N97), L152 (≠ I153), Y155 (= Y156), Y189 (≠ F188)

1zk4A Structure of r-specific alcohol dehydrogenase (wildtype) from lactobacillus brevis in complex with acetophenone and NADP (see paper)
48% identity, 99% coverage: 3:256/256 of query aligns to 3:251/251 of 1zk4A

query
sites
1zk4A

R

R

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F

C

G

T

T

K

R

H

L

A

G

I

I

P

Q

H

R

M

M

K

K

K

N

A

K

G

G

V

L

G

G

-

A

S

S

I

I

N

N

L

M

S

S

S
|
S

I

I

Y

E

G

G

L

F

V

V

S

G

A

D

P

P

D

S

I

L

P

G

P

A

Y
|
Y

H

N

A

A

S

S

K
|
K

G

G

A

A

V

V

R

R

L

I

M

M

S

S

K

K

T

S

D

A

A

A

L

L

L

D

Y

C

A

A

T

L

E

K

N

D

-

Y

-

D

I

V

R

R

C

V

N

N

S

T

I

V

H

H

P

P

G
|
G

F
x
Y

I
|
I

W

K

T
|
T

P

P

L
|
L

V

V

E

D

A

-

H

-

L

-

K

-

T

-

G

-

Q

-

D

D

P

L

E

P

E

G

A

A

K

E

A

A

T

M

A

S

-

Q

-

R

A

T

M

K

H

T

P

P

V

M

G

G

H

H

M

I

G

G

E

E

P

P

D

N

D

D

I

I

A

A

W

Y

G

I

A

C

V

V

Y

Y

L

L

A

A

S

S

D

N

E

E

S

S

K

K

F

F

V

A

T

T

G

G

S

S

E

E

L

F

V

V

I

V

D

D

G

G

Y

Y

T

T

A

A

R

Q

active site: G17 (= G17), S142 (= S143), Y155 (= Y156), K159 (= K160)
binding 1-phenylethanone: A93 (= A94), Y155 (= Y156), Y189 (≠ F188)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G13), T15 (≠ S15), L16 (≠ V16), I18 (= I18), T36 (≠ L36), G37 (≠ D37), R38 (≠ C38), H61 (≠ C62), D62 (= D63), N89 (= N90), A90 (= A91), G91 (= G92), I92 (= I93), Y155 (= Y156), G188 (= G187), I190 (= I189), T192 (= T191), L194 (= L193)

7ejiB Crystal structure of kred f147l/l153q/y190p/l199a/m205f/m206f variant and methyl methacrylate complex
48% identity, 100% coverage: 2:256/256 of query aligns to 2:251/251 of 7ejiB

query
sites
7ejiB

E

D

R

R

L

L

K

K

G

G

K

K

V

V

A

A

V

I

I

V

T

T

G
|
G

G

G

S
x
T

V
x
L

G
|
G

I
|
I

G

G

A

L

A

A

T

I

A

A

L

D

R

K

M

F

A

V

E

E

G

G

A

A

A

K

V

V

A

V

I

I

L

T

D

G

C
x
R

Q
x
H

D

A

S

D

E

V

G

G

E

E

A

K

L

A

A

A

K

K

Q

S

L

I

E

G

G

G

R

T

G

D

L

V

K

I

A

R

G

F

Y

V

W

Q

H

H

C

-

D
|
D

V
x
A

S

S

K

D

E

E

Q

A

E

G

V

W

K

T

Q

K

V

L

L

F

D

D

A

T

V

T

A

E

N

E

T

A

F

F

G

G

T

P

P

V

T

T

V

T

L

V

V

V

N

N

N
|
N

A
|
A

G

G

I

I

A

A

G

-

A

V

N

S

K

K

P

S

T

V

H

E

E

D

L

T

T

T

E

T

E

E

W

W

D

R

H

K

V

L

Q

L

D

S

V
|
V

N

N

V

L

K

D

G

G

V

V

F

F

C

G

T

T

K

R

H

L

A

G

I

I

P

Q

H

R

M

M

K

K

K

N

A

K

G

G

V

L

G

G

-

A

S

S

I

I

N

N

L
x
M

S

S

S
|
S

I
|
I

Y

E

G

G

L

L

V

V

S

G

A

D

P

P

D

T

I

Q

P

G

P

A

Y
|
Y

H

N

A

A

S

S

K
|
K

G

G

A

A

V

V

R

R

L

I

M

M

S

S

K

K

T

S

D

A

A

A

L

L

L

D

Y

C

A

A

T

L

E

K

N

D

-

Y

-

D

I

V

R

R

C

V

N

N

S

T

I

V

H

H

P
|
P

G

G

F
x
P

I
|
I

W

K

T
|
T

P
|
P

L
|
L

V

V

E

D

A

-

H

-

L

-

K

-

T

-

G

-

Q

-

D

D

P

A

E

E

E

G

A

A

K

E

-

F

-
x
F

A

S

T

Q

A

R

A

T

M

K

H

T

P

P

V

M

G

G

H

H

M

I

G

G

E

E

P

P

D

N

D

D

I

I

A

A

W

W

G

I

A

C

V

V

Y

Y

L

L

A

A

S

S

D

D

E

E

S

S

K

K

F

F

V

A

T

T

G

G

S

A

E

E

L

F

V

V

I

V

D

D

G

G

Y

Y

T

T

A

A

R

Q

binding methyl 2-methylprop-2-enoate: S142 (= S143), I143 (= I144), Y155 (= Y156), F205 (vs. gap)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G13), T15 (≠ S15), L16 (≠ V16), G17 (= G17), I18 (= I18), R38 (≠ C38), H39 (≠ Q39), D62 (= D63), A63 (≠ V64), N89 (= N90), A90 (= A91), V112 (= V114), M140 (≠ L141), S142 (= S143), Y155 (= Y156), K159 (= K160), P187 (= P186), P189 (≠ F188), I190 (= I189), T192 (= T191), P193 (= P192), L194 (= L193)

7ejhA Crystal structure of kred mutant-f147l/l153q/y190p/l199a/m205f/m206f and 2-hydroxyisoindoline-1,3-dione complex
48% identity, 100% coverage: 2:256/256 of query aligns to 4:253/253 of 7ejhA

query
sites
7ejhA

E

D

R

R

L

L

K

K

G

G

K

K

V

V

A

A

V

I

I

V

T

T

G
|
G

G

G

S
x
T

V

L

G

G

I
|
I

G

G

A

L

A

A

T

I

A

A

L

D

R

K

M

F

A

V

E

E

G

G

A

A

A

K

V

V

A

V

I

I

L

T

D

G

C
x
R

Q
x
H

D

A

S

D

E

V

G

G

E

E

A

K

L

A

A

A

K

K

Q

S

L

I

E

G

G

G

R

T

G

D

L

V

K

I

A

R

G

F

Y

V

W

Q

H

H

C

-

D
|
D

V
x
A

S

S

K

D

E

E

Q

A

E

G

V

W

K

T

Q

K

V

L

L

F

D

D

A

T

V

T

A

E

N

E

T

A

F

F

G

G

T

P

P

V

T

T

V

T

L

V

V

V

N

N

N
|
N

A
|
A

G

G

I

I

A

A

G

-

A

V

N

S

K

K

P

S

T

V

H

E

E

D

L

T

T

T

E

T

E

E

W

W

D

R

H

K

V

L

Q

L

D

S

V
|
V

N

N

V

L

K

D

G

G

V

V

F

F

C

G

T

T

K

R

H

L

A

G

I

I

P

Q

H

R

M

M

K

K

K

N

A

K

G

G

V

L

G

G

-

A

S

S

I

I

N

N

L
x
M

S

S

S
|
S

I
|
I

Y
x
E

G

G

L

L

V

V

S

G

A

D

P

P

D

T

I

Q

P

G

P

A

Y
|
Y

H

N

A

A

S

S

K
|
K

G

G

A

A

V

V

R

R

L

I

M

M

S

S

K

K

T

S

D

A

A

A

L

L

L

D

Y

C

A

A

T

L

E

K

N

D

-

Y

-

D

I

V

R

R

C

V

N

N

S

T

I

V

H

H

P
|
P

G
|
G

F
x
P

I
|
I

W

K

T
|
T

P
|
P

L
|
L

V
|
V

E

D

A

-

H

-

L

-

K

-

T

-

G

-

Q

-

D

D

P

A

E

E

E

G

A

A

K

E

-

F

-
x
F

A

S

T

Q

A

R

A

T

M

K

H

T

P

P

V

M

G

G

H

H

M

I

G

G

E

E

P

P

D

N

D

D

I

I

A

A

W

W

G

I

A

C

V

V

Y

Y

L

L

A

A

S

S

D

D

E

E

S

S

K

K

F

F

V

A

T

T

G

G

S

A

E

E

L

F

V

V

I

V

D

D

G

G

Y

Y

T

T

A

A

R

Q

binding 2-oxidanylisoindole-1,3-dione: S144 (= S143), I145 (= I144), E146 (≠ Y145), Y157 (= Y156), V197 (= V194), F207 (vs. gap)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G13), T17 (≠ S15), I20 (= I18), R40 (≠ C38), H41 (≠ Q39), D64 (= D63), A65 (≠ V64), N91 (= N90), A92 (= A91), V114 (= V114), M142 (≠ L141), S144 (= S143), Y157 (= Y156), K161 (= K160), P189 (= P186), G190 (= G187), P191 (≠ F188), I192 (= I189), T194 (= T191), P195 (= P192), L196 (= L193)

6y0sAAA R-specific alcohol dehydrogenase (see paper)
48% identity, 99% coverage: 3:256/256 of query aligns to 3:251/251 of 6y0sAAA

query
sites
6y0sAAA

R

R

L

L

K

D

G

G

K

K

V

V

A

A

V

I

I

I

T

T

G

G

S
x
T

V

L

G
|
G

I

I

G

G

A

L

A

A

T

I

A

A

L

T

R

K

M

F

A

V

E

E

G

G

A

A

A

K

V

V

A

M

I

I

L

T

D
x
G

C

R

Q
x
H

D

S

S

D

E
x
V

G

G

E

E

A

K

L

A

A

A

K

K

Q

S

L

V

E

-

G

G

R

T

G

P

L

D

K

Q

A

I

G

Q

Y

F

W

F

H

Q

C

H

D

D

V

S

S

S

K

D

E

E

Q

D

E

G

V

W

K

T

Q

K

V

L

L

F

D

D

A

A

V

T

A

E

N

K

T

A

F

F

G

G

T

P

P

V

T

S

V

T

L

L

V

V

N

N

A

A

G

G

I

I

A

A

G

-

A

V

N

N

K

K

P

S

T

V

H

E

E

E

L

T

T

E

E

T

E

A

E

E

W

W

D

R

H

K

V

L

Q

L

D

A

V

V

N

N

V

L

K

D

G

G

V

V

F

F

C

G

T

T

K

R

H

L

A

G

I

I

P

Q

H

R

M

M

K

K

K

N

A

K

G

G

V

L

G
|
G

-
x
A

S

S

I

I

N

N

L

M

S

S

S
|
S

I

I

Y

E

G

G

L

F

V

V

S

G

A

D

P

P

D

S

I

L

P

G

P

A

Y
|
Y

H

N

A

A

S

S

K

K

G

G

A

A

V

V

R

R

L

I

M

M

S

S

K

K

T

S

D

A

A

A

L

L

L

D

Y

C

A

A

T

L

E

K

N

D

-

Y

-
x
D

I

V

R
|
R

C

V

N

N

S

T

I

V

H

H

P

P

G

G

F

Y

I

I

W

K

T

T

P

P

L

L

V

V

E

D

A

-

H

-

L

-

K

-

T

-

G

-

Q

-

D

D

P

L

E

P

E

G

A

A

K

E

A

A

T

M

A

S

-

Q

-

R

A

T

M

K

H

T

P

P

V

M

G

G

H

H

M

I

G

G

E

E

P

P

D

N

D

D

I

I

A

A

W

Y

G

I

A

C

V

V

Y

Y

L

L

A

A

S

S

D

N

E

E

S

S

K

K

F

F

V

A

T

T

G

G

S

S

E

E

L

F

V

V

I

V

D

D

G

G

Y

Y

T

T

A

A

R

Q

active site: G17 (= G17), S142 (= S143), Y155 (= Y156)
binding magnesium ion: T15 (≠ S15), G37 (≠ D37), H39 (≠ Q39), V42 (≠ E42), G134 (= G136), A135 (vs. gap), D179 (vs. gap), R181 (= R180)

5itvA Crystal structure of bacillus subtilis bacc dihydroanticapsin 7- dehydrogenase in complex with nadh (see paper)
40% identity, 99% coverage: 3:256/256 of query aligns to 4:255/255 of 5itvA

query
sites
5itvA

R

N

L

L

K

T

G

D

K

K

V

T

A

V

V

L

I

I

T

T

G
|
G

G

G

S

A

V
x
S

G
|
G

I
|
I

G

G

A

Y

A

A

T

A

A

V

L

Q

R

A

M

F

A

L

E

G

E

Q

G

Q

A

A

A

N

V

V

A

V

I

V

L

A

D
|
D

C
x
I

Q

D

D

E

S

A

E

Q

G

G

E

E

A

A

L

M

A

V

K

R

Q

K

L

E

E

N

G

N

R

D

G

R

L

L

K

H

A

-

G

-

Y

F

W

V

H

Q

C
x
T

D

D

V
x
I

S

T

K

D

E

E

Q

A

E

A

V

C

K

Q

Q

H

V

A

L

V

D

E

A

S

V

A

A

V

N

H

T

T

F

F

G

G

T

G

P

L

T

D

V

V

L

L

V

I

N

N

N
|
N

A

A

G
|
G

I

I

A

E

G

I

A

V

N

-

K

A

P

P

T

I

H

H

E

E

L

M

T

E

E

L

E

S

E

D

W

W

D

N

H

K

V

V

Q

L

D

Q

V

V

N

N

V

L

K

T

G

G

V

M

F

F

F

L

C

M

T

S

K

K

H

H

A

A

I

L

P

K

H

H

M

M

K

L

K

A

A

A

G

G

V

K

G

G

S

N

I

I

N

N

L
x
T

S

C

S
|
S

I

V

Y

G

G

G

L

L

V

V

S

A

A

W

P

P

D

D

I

I

P

P

P

A

Y
|
Y

H

N

A

A

S

S

K
|
K

G

G

A

G

V

V

R

L

L

Q

M

L

S

T

K

K

T

S

D

M

A

A

L

V

L

D

Y

Y

A

A

T

K

E

H

N

Q

I

I

R

R

C

V

N

N

S

C

I

V

H

C

P
|
P

G
|
G

F
x
I

I
|
I

W

D

T

T

P

P

L

L

V

N

E

E

-

K

A

S

H

F

L

L

K

E

T

N

G

E

Q

G

D

T

P

L

E

E

A

I

K

K

A

E

T

K

A

A

A

K

M

V

H

N

P

P

V

L

G

L

H

R

M

L

G

G

E

K

P

P

D

E

I

I

A

A

W

N

G

V

A

M

V

L

Y

F

L

L

A

A

S

S

D

D

E

L

S

S

K

S

F

Y

V

M

T

T

G

G

S

S

E

A

L

I

V

T

I

A

D

D

G

G

Y

Y

T

T

A

A

R

Q

active site: G18 (= G17), S141 (= S143), Y154 (= Y156), K158 (= K160)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G13), S17 (≠ V16), G18 (= G17), I19 (= I18), D38 (= D37), I39 (≠ C38), T61 (≠ C62), I63 (≠ V64), N89 (= N90), G91 (= G92), T139 (≠ L141), S141 (= S143), Y154 (= Y156), K158 (= K160), P184 (= P186), G185 (= G187), I186 (≠ F188), I187 (= I189)

4wecA Crystal structure of a short chain dehydrogenase from mycobacterium smegmatis
40% identity, 99% coverage: 2:255/256 of query aligns to 6:252/258 of 4wecA

query
sites
4wecA

E

Q

R

R

L

L

K

A

G

G

K

K

V

V

A

A

V

V

I

I

T

T

G
|
G

G

G

S
x
A

V
x
S

G
|
G

I
|
I

G

G

A

L

A

A

T

T

A

G

L

R

R

R

M

L

A

R

E

A

E

E

G

G

A

A

A

T

V

V

A

V

I

V

L

G

D
|
D

C
x
I

Q

D

D

P

S

T

E

T

G

G

E

K

A

A

L

A

A

A

K

D

Q

E

L

L

E

E

G

G

R

L

G

-

L

-

K

-

A

-

G

-

Y

F

W

V

H

P

C
x
V

D
|
D

V
|
V

S

S

K

E

E

Q

Q

E

E

A

V

V

K

D

Q

N

V

L

L

F

D

D

A

T

V

A

A

A

N

S

T

T

F

F

G

G

T

R

P

V

T

D

V

I

L

A

V

F

N

N

N
|
N

A

A

G

G

I

I

A

-

G

-

A

-

N

S

K

P

P

P

T

E

H

D

E

D

L

L

T

I

E

E

E

N

E

T

-

D

-

L

-

P

-

A

W

W

D

Q

H

R

V

V

Q

Q

D

D

V

I

N

N

V

L

K

K

G

S

V

V

F

Y

F

L

C

S

T

C

K

R

H

A

A

A

I

L

P

R

H

H

M

M

K

V

K

P

A

A

G

G

V

K

G

G

S

S

I

I

N

N

L
x
T

S

A

S
|
S

I

F

Y

V

G

A

L

V

V

M

-

G

S

S

A

A

P

T

D

S

I
x
Q

P

I

P

S

Y
|
Y

H

T

A

A

S

S

K
|
K

G

G

A

G

V

V

R

L

L

A

M

M

S

S

K

R

T

E

D

L

A

G

L

V

L

Q

Y

Y

A

A

T

R

E

Q

N

G

I

I

R

R

C

V

N

N

S

A

I

L

H

C

P
|
P

G

G

F
x
P

I
x
V

W

N

T

T

P

P

L

L

V

L

E

Q

A

-

H

-

L

-

K

E

T

L

T

F

G

A

Q

K

D

D

P

P

E

E

E

R

A

A

K

A

K

R

A

R

T

L

A

V

A

H

M

I

H

-

P

P

V

L

G

G

H

R

M

F

G

A

E

E

P

P

D

E

I

L

A

A

W

A

G

A

A

V

V

A

Y

F

L

L

A

A

S

S

D

D

E

D

S

A

K

S

F

F

V

I

T

T

G

G

S

S

E

T

L

F

V

L

I

V

D

D

G

G

Y

I

T

S

A

S

active site: G21 (= G17), S143 (= S143), Q154 (≠ I153), Y157 (= Y156), K161 (= K160)
binding nicotinamide-adenine-dinucleotide: G17 (= G13), A19 (≠ S15), S20 (≠ V16), G21 (= G17), I22 (= I18), D41 (= D37), I42 (≠ C38), V61 (≠ C62), D62 (= D63), V63 (= V64), N89 (= N90), T141 (≠ L141), Y157 (= Y156), K161 (= K160), P187 (= P186), P189 (≠ F188), V190 (≠ I189)

4urfB Molecular genetic and crystal structural analysis of 1-(4- hydroxyphenyl)-ethanol dehydrogenase from aromatoleum aromaticum ebn1 (see paper)
38% identity, 99% coverage: 4:256/256 of query aligns to 3:248/248 of 4urfB

query
sites
4urfB

L

L

K

E

G

G

K

K

V

T

A

A

V

L

I

V

T

T

G
|
G

G

A

S
x
G

V
x
N

G
|
G

I
|
I

G

G

A

R

A

T

T

I

A

A

L

L

R

T

M

Y

A

A

E

A

E

E

G

G

A

A

A

N

V

V

A

V

I

V

L

S

D
|
D

C
x
I

Q

S

D

D

S

E

E

W

G

G

E

R

A

E

L

T

A

L

K

A

Q

L

L

I

E

E

G

G

R

K

G

G

L

G

K

K

A

A

G

V

Y

F

W

Q

H

H

C

A

D
|
D

V
x
T

S

A

K

H

E

P

Q

E

E

D

V

H

K

D

Q

E

V

L

L

I

D

A

A

A

V

A

A

K

N

R

T

A

F

F

G

G

T

R

P

L

T

D

V

I

L

A

V

C

N

N

N
|
N

A
|
A

G
|
G

I
|
I

A

S

G
|
G

A

E

N

F

K

T

P

P

T

T

H

A

E

E

L

T

T

T

E

D

E

A

E

Q

W

W

D

Q

H
x
R

V

V

Q

I

D

G

V

I

N

N

V

L

K

S

G

G

V

V

F

F

F

Y

C

G

T

V

K

R

H

A

A

Q

I

I

P

R

H

A

M

M

K

L

K

E

A

T

G

G

V

G

G

G

S

A

I

I

I

V

N

N

L
x
I

S

S

S
|
S

I

I

Y

A

G

G

L

Q

V

I

S

G

A

I

P

E

D

G

I
|
I

P

T

P

P

Y
|
Y

H

T

A

A

S

A

K
|
K

G

H

A

G

V

V

R

V

L

G

M

L

S

T

K

K

T

T

D

V

A

A

L

W

L

E

Y

Y

A

G

T

S

E

K

N

G

I

I

R
|
R

C

I

N

N

S

S

I

V

H

G

P
|
P

G
x
A

F

F

I
|
I

W

N

T
|
T

P

T

L

L

V

V

E

Q

A

-

H

-

L

-

K

-

T

-

G

-

Q

N

D

V

P

P

E

L

E

E

A

T

K

R

A

Q

T

L

A

E

A

Q

M

M

H

H

P

A

V
x
L

G
x
R

H
x
R

M

L

G

G

E

E

P

T

D

E

I

V

A

A

W

N

G

L

A

V

V

A

Y

W

L

L

A

S

S
|
S

D

D

E

K

S

A

K

S

F

F

V

V

T

T

G

G

S

S

E

Y

L

Y

V

A

I

V

D

D

G

G

Y

Y

T

L

A

A

R

R

active site: G16 (= G17), S142 (= S143), I152 (= I153), Y155 (= Y156), K159 (= K160)
binding 3-pyridinium-1-ylpropane-1-sulfonate: L210 (≠ V218), R211 (≠ G219), R212 (≠ H220)
binding bicarbonate ion: I92 (= I93), G94 (= G95), R109 (≠ H110), R179 (= R180), S228 (= S236)
binding nicotinamide-adenine-dinucleotide: G12 (= G13), G14 (≠ S15), N15 (≠ V16), G16 (= G17), I17 (= I18), D36 (= D37), I37 (≠ C38), D62 (= D63), T63 (≠ V64), N89 (= N90), A90 (= A91), G91 (= G92), I140 (≠ L141), Y155 (= Y156), K159 (= K160), P185 (= P186), A186 (≠ G187), I188 (= I189), T190 (= T191)

4urfA Molecular genetic and crystal structural analysis of 1-(4- hydroxyphenyl)-ethanol dehydrogenase from aromatoleum aromaticum ebn1 (see paper)
38% identity, 99% coverage: 4:256/256 of query aligns to 3:248/248 of 4urfA

query
sites
4urfA

L

L

K

E

G

G

K

K

V

T

A

A

V

L

I

V

T

T

G
|
G

G

A

S
x
G

V
x
N

G
|
G

I
|
I

G

G

A

R

A

T

T

I

A

A

L

L

R

T

M

Y

A

A

E

A

E

E

G

G

A

A

A

N

V

V

A

V

I

V

L

S

D
|
D

C
x
I

Q

S

D

D

S

E

E
x
W

G

G

E

R

A

E

L

T

A

L

K

A

Q

L

L

I

E

E

G

G

R

K

G

G

L

G

K

K

A

A

G

V

Y

F

W

Q

H

H

C

A

D
|
D

V
x
T

S

A

K

H

E

P

Q

E

E

D

V

H

K

D

Q

E

V

L

L

I

D

A

A

A

V

A

A

K

N

R

T

A

F

F

G

G

T

R

P

L

T

D

V

I

L

A

V

C

N

N

N
|
N

A
|
A

G
|
G

I
|
I

A
x
S

G
|
G

A
x
E

N

F

K
x
T

P

P

T

T

H

A

E
|
E

L

T

T
|
T

E

D

E

A

E
x
Q

W

W

D

Q

H
x
R

V

V

Q

I

D

G

V

I

N

N

V

L

K

S

G

G

V

V

F

F

F

Y

C

G

T

V

K

R

H

A

A

Q

I

I

P

R

H

A

M

M

K

L

K

E

A

T

G

G

V

G

G

G

S

A

I

I

I

V

N

N

L
x
I

S

S

S
|
S

I

I

Y

A

G

G

L

Q

V

I

S

G

A

I

P

E

D

G

I
|
I

P

T

P

P

Y
|
Y

H

T

A

A

S

A

K
|
K

G

H

A

G

V

V

R

V

L

G

M

L

S

T

K

K

T

T

D

V

A

A

L

W

L

E

Y

Y

A

G

T
x
S

E

K

N
x
G

I

I

R

R

C

I

N

N

S

S

I

V

H

G

P
|
P

G

A

F

F

I
|
I

W

N

T
|
T

P

T

L

L

V

V

E

Q

A

-

H

-

L

-

K

-

T

-

G

-

Q

N

D

V

P

P

E

L

E

E

A

T

K

R

A

Q

T

L

A

E

A

Q

M

M

H

H

P

A

V

L

G

R

H

R

M

L

G

G

E

E

P

T

D

E

I

V

A

A

W

N

G

L

A

V

V

A

Y

W

L

L

A

S

S

S

D

D

E

K

S

A

K

S

F

F

V

V

T

T

G

G

S
|
S

E
x
Y

L

Y

V

A

I

V

D

D

G

G

Y

Y

T

L

A

A

R

R

active site: G16 (= G17), S142 (= S143), I152 (= I153), Y155 (= Y156), K159 (= K160)
binding 3-pyridinium-1-ylpropane-1-sulfonate: I92 (= I93), S93 (≠ A94), G94 (= G95), E95 (≠ A96), T97 (≠ K98), E101 (= E102), T103 (= T104), Q106 (≠ E107), R109 (≠ H110), S175 (≠ T176), G177 (≠ N178)
binding magnesium ion: S237 (= S245), Y238 (≠ E246)
binding nicotinamide-adenine-dinucleotide: G12 (= G13), G14 (≠ S15), N15 (≠ V16), G16 (= G17), I17 (= I18), D36 (= D37), I37 (≠ C38), W41 (≠ E42), D62 (= D63), T63 (≠ V64), N89 (= N90), A90 (= A91), G91 (= G92), I140 (≠ L141), Y155 (= Y156), K159 (= K160), P185 (= P186), I188 (= I189), T190 (= T191)

4ureB Molecular genetic and crystal structural analysis of 1-(4- hydroxyphenyl)-ethanol dehydrogenase from aromatoleum aromaticum ebn1 (see paper)
38% identity, 99% coverage: 4:256/256 of query aligns to 3:248/248 of 4ureB

query
sites
4ureB

L

L

K

E

G

G

K

K

V

T

A

A

V

L

I

V

T

T

G

G

G

A

S

G

V
x
N

G
|
G

I
|
I

G

G

A

R

A

T

T

I

A

A

L

L

R

T

M

Y

A

A

E

A

E

E

G

G

A

A

A

N

V

V

A

V

I

V

L

S

D

D

C

I

Q

S

D

D

S

E

E

W

G

G

E

R

A

E

L

T

A

L

K

A

Q

L

L

I

E

E

G

G

R

K

G

G

L

G

K

K

A

A

G

V

Y

F

W

Q

H

H

C

A

D

D

V

T

S

A

K

H

E

P

Q

E

E

D

V

H

K

D

Q

E

V

L

L

I

D

A

A

A

V

A

A

K

N

R

T

A

F

F

G

G

T

R

P

L

T

D

V

I

L

A

V

C

N

N

N
|
N

A

A

G
|
G

I

I

A

S

G

G

A

E

N

F

K

T

P

P

T

T

H

A

E

E

L

T

T

T

E

D

E

A

E

Q

W

W

D

Q

H

R

V

V

Q

I

D

G

V

I

N

N

V

L

K

S

G

G

V

V

F

F

F

Y

C

G

T

V

K

R

H

A

A

Q

I

I

P

R

H

A

M

M

K

L

K

E

A

T

G

G

V

G

G

G

S

A

I

I

I

V

N

N

L

I

S

S

S
|
S

I

I

Y

A

G

G

L

Q

V

I

S

G

A

I

P

E

D

G

I
|
I

P

T

P

P

Y
|
Y

H

T

A

A

S

A

K
|
K

G

H

A

G

V

V

R

V

L

G

M

L

S

T

K

K

T

T

D

V

A

A

L

W

L

E

Y

Y

A

G

T

S

E

K

N

G

I

I

R

R

C

I

N

N

S

S

I

V

H

G

P
|
P

G
x
A

F

F

I

I

W

N

T

T

P

T

L

L

V

V

E

Q

A

-

H

-

L

-

K

-

T

-

G

-

Q

N

D

V

P

P

E

L

E

E

A

T

K

R

A

Q

T

L

A

E

A

Q

M

M

H

H

P

A

V

L

G

R

H

R

M

L

G

G

E

E

P

T

D

E

I

V

A

A

W

N

G

L

A

V

V

A

Y

W

L

L

A

S

S

S

D

D

E

K

S

A

K

S

F

F

V

V

T

T

G

G

S

S

E

Y

L

Y

V

A

I

V

D

D

G

G

Y

Y

T

L

A

A

R

R

active site: G16 (= G17), S142 (= S143), I152 (= I153), Y155 (= Y156), K159 (= K160)
binding 3-pyridinium-1-ylpropane-1-sulfonate: N15 (≠ V16), G16 (= G17), I17 (= I18), N89 (= N90), G91 (= G92), Y155 (= Y156), P185 (= P186), A186 (≠ G187)

6ixmC Crystal structure of the ketone reductase chkred20 from the genome of chryseobacterium sp. Ca49 complexed with NAD (see paper)
35% identity, 98% coverage: 4:255/256 of query aligns to 3:247/248 of 6ixmC

query
sites
6ixmC

L

L

K

D

G

N

K

K

V

V

A

A

V

L

I

V

T

T

G
|
G

G

A

S

G

V
x
S

G
|
G

I
|
I

G

G

A

L

A

A

T

V

A

A

L

H

R

S

M

Y

A

A

E

K

E

E

G

G

A

A

A

K

V

V

A

I

I

V

L

S

D
|
D

C
x
I

Q

N

D

E

S

D

E

H

G

G

E

N

A

K

L

A

A

V

K

E

Q

D

L

I

E

K

G

A

R

Q

G

G

L

G

K

E

A

A

G

S

Y

F

W

V

H

K

C
x
A

D
|
D

V
x
T

S

S

K

N

E

P

Q

E

E

E

V

V

K

E

Q

A

V

L

L

V

D

K

A

R

V

T

A

V

N

E

T

I

F

Y

G

G

T

R

P

L

T

D

V

I

L

A

V

C

N

N

N
|
N

A
|
A

G

G

I

I

A

G

G

G

A

E

N

Q

K

A

P

L

T

A

H

G

E

D

L

Y

T

G

E

L

E

D

E

S

W

W

D

R

H

K

V

V

Q

L

D

S

V

I

N

N

V

L

K

D

G

G

V

V

F

F

F

Y

C

G

T

C

K

K

H

Y

A

E

I

L

P

E

H

Q

M

M

K

E

K

K

A

N

G

G

V

G

G

G

S

V

I

I

I

V

N

N

L
x
M

S

A

S
|
S

I

I

Y

H

G

G

L

I

V

V

S

A

A

A

P

P

D

L

I

S

P

S

P

A

Y
|
Y

H

T

A

S

S

A

K
|
K

G

H

A

A

V

V

R

V

L

G

M

L

S

T

K

K

T

N

D

I

A

G

L

A

L

E

Y

Y

A

G

T

Q

E

K

N

N

I

I

R

R

C

C

N

N

S

A

I

V

H

G

P
|
P

G
x
A

F
x
Y

I
|
I

W

E

T

T

P

P

L
|
L

V

L

E

E

A

S

H

L

L

T

K

K

T

-

G

-

Q

-

D

-

P

-

E

-

E

E

A

M

K

K

K

E

A

A

T

L

A

I

A

S

M

K

H

H

P

P

V

M

G

G

H

R

M

L

G

G

E

K

P

P

D

E

I

V

A

A

W

E

G

L

A

V

V

L

Y

F

L

L

A

S

S

S

D

E

E

K

S

S

K

S

F

F

V

M

T

T

G

G

S

G

E

Y

L

Y

V

L

I

V

D

D

G

G

Y

Y

T

T

A

A

active site: G16 (= G17), S142 (= S143), Y155 (= Y156), K159 (= K160)
binding nicotinamide-adenine-dinucleotide: G12 (= G13), S15 (≠ V16), G16 (= G17), I17 (= I18), D36 (= D37), I37 (≠ C38), A61 (≠ C62), D62 (= D63), T63 (≠ V64), N89 (= N90), A90 (= A91), M140 (≠ L141), S142 (= S143), Y155 (= Y156), K159 (= K160), P185 (= P186), A186 (≠ G187), Y187 (≠ F188), I188 (= I189), L192 (= L193)

3ay6B Crystal structure of bacillus megaterium glucose dehydrogenase 4 a258f mutant in complex with nadh and d-glucose (see paper)
38% identity, 98% coverage: 4:254/256 of query aligns to 11:257/267 of 3ay6B

query
sites
3ay6B

L

L

K

K

G

D

K

K

V

V

A

V

V

V

I

I

T

T

G
|
G

G

G

S

S

V
x
T

G
|
G

I
x
L

G

G

A

R

A

A

T

M

A

A

L

V

R

R

M

F

A

G

E

Q

E

E

G

E

A

A

A

K

V

V

A

-

I

V

L

I

D

N

C

Y

Q
x
Y

D

N

S

N

E

E

G

E

E

E

A

A

L

L

-

D

-

A

A

K

K

K

Q

E

L

V

E

E

G

E

R

A

G

G

L

G

K

Q

A

A

G

I

Y

I

W

V

H

Q

C

G

D
|
D

V
|
V

S

T

K

K

E

E

Q

E

E

D

V

V

K

V

Q

N

V

L

L

V

D

Q

A

T

V

A

A

I

N

K

T

E

F

F

G

G

T

T

P

L

T

D

V

V

L

M

V

I

N

N

N
|
N

A
|
A

G
|
G

I
x
V

A
x
E

G

N

A

P

N

-

K

V

P

P

T

S

H

H

E

E

L

L

T

S

E

L

E

D

E

N

W

W

D

N

H

K

V

V

Q

I

D

D

V

T

N

N

V

L

K

T

G

G

V

A

F

F

F

L

C

G

T

S

K

R

H

E

A

A

I

I

P

K

H

Y

M

F

K

V

K

E

A

N

G

D

V

I

-

K

G

G

S

N

I

V

I

I

N

N

L
x
M

S

S

S
|
S

I

V

Y
x
H

G

E

L

M

V

I

S

P

A
x
W

P

P

D

L

I

F

P

V

P

H

Y
|
Y

H

A

A

A

S

S

K
|
K

G

G

A

G

V

M

R

K

L

L

M

M

S

T

K

E

T

T

D

L

A

A

L

L

L

E

Y

Y

A

A

T

P

E

K

N

G

I

I

R

R

C

V

N

N

S

N

I

I

H

G

P
|
P

G
|
G

F

A

I
x
M

W

N

T
|
T

P
|
P

L
x
I

V
x
N

E

A

A

E

H
x
K

L

F

K

A

T

-

G

-

Q

-

D

D

P

P

E

V

E

Q

A

-

K

R

K

A

A

D

T

V

A

E

A

S

M

M

H

I

P

P

V

M

G

G

H

Y

M

I

G

G

E

K

P

P

D

E

I

V

A

A

W

A

G

V

A

A

V

A

Y

F

L

L

A

A

S

S

D

S

E

Q

S

A

K

S

F

Y

V

V

T

T

G

G

S

I

E

T

L

L

V

F

I

A

D

D

G

G

Y

M

T

T

active site: G24 (= G17), S151 (= S143), Y164 (= Y156), K168 (= K160)
binding beta-D-glucopyranose: E102 (≠ A94), S151 (= S143), H153 (≠ Y145), W158 (≠ A150), Y164 (= Y156), N202 (≠ V194), K205 (≠ H197)
binding 1,4-dihydronicotinamide adenine dinucleotide: G20 (= G13), T23 (≠ V16), G24 (= G17), L25 (≠ I18), Y45 (≠ Q39), D71 (= D63), V72 (= V64), N98 (= N90), A99 (= A91), G100 (= G92), V101 (≠ I93), M149 (≠ L141), S151 (= S143), Y164 (= Y156), K168 (= K160), P194 (= P186), G195 (= G187), M197 (≠ I189), T199 (= T191), P200 (= P192), I201 (≠ L193), N202 (≠ V194)

7djsD Crystal structure of isopiperitenol dehydrogenase from pseudomonas aeruginosa complexed with NAD
40% identity, 98% coverage: 4:255/256 of query aligns to 3:250/251 of 7djsD

query
sites
7djsD

L

L

K

S

G

G

K

Q

V

V

A

A

V

L

I

V

T

T

G
|
G

G

G

S

A

V

A

G
|
G

I
|
I

G

G

A

R

A

A

T

T

A

A

L

Q

R

A

M

F

A

A

E

A

G

G

A

V

A

K

V

V

A

V

I

V

L

A

D
|
D

C
x
L

Q

D

D

S

S

A

E

G

G

G

E

E

A

G

L

T

A

V

K

E

Q

A

L

I

E

R

G

Q

R

A

G

G

L

G

K

E

A

A

G

V

Y

F

W

I

H

R

C
|
C

D
|
D

V
|
V

S

T

K

R

E

D

Q

A

E

E

V

V

K

K

Q

A

V

L

L

V

D

E

A

G

V

C

A

A

N

A

T

A

F

Y

G

G

T

R

P

L

T

D

V

Y

L

A

V

F

N

N

N
|
N

A
|
A

G

G

I

I

A

E

G

I

A

E

N

Q

K

G

P

K

T

L

H

A

E

D

L

G

T

N

E

E

E

A

E

E

W

F

D

D

H

A

V

I

Q

M

D

A

V

V

N

N

V

V

K

K

G

G

V

V

F

W

F

L

C

C

T

M

K

K

H

H

A

Q

I

I

P

P

H

L

M

M

K

L

K

A

A

Q

G

G

V

G

G

G

S

A

I

I

I

V

N

N

L
x
T

S

A

S
|
S

I

V

Y

A

G

G

L

L

V

G

S

A

A

A

P

P

D

K

I

M

P

S

P

I

Y
|
Y

H

A

A

A

S

S

K
|
K

G

H

A

A

V

V

R

I

L

G

M

L

S

T

K

K

T

S

D

A

A

A

L

I

L

E

Y

Y

A

A

T

K

E

K

N

G

I

I

R

R

C

V

N

N

S

A

I

V

H

C

P

P

G
x
A

F
x
V

I

I

W

D

T

T

P

D

L

M

V

F

E

R

A

-

H

-

L

-

K

R

T

A

T

Y

G

E

Q

A

D

D

P

P

E

R

E

K

A

A

K

E

K

F

A

A

T

-

A

A

M

M

H

H

P

P

V

L

G

G

H

R

M

V

G

G

E

R

P

V

D

E

I

I

A

A

W

A

G

A

A

V

V

L

Y

Y

L

L

A

C

S

S

D

D

E

N

S

A

K

G

F

F

V

T

T

T

G

G

S

I

E

A

L

L

V

P

I

V

D

D

G

G

Y

A

T

T

A

A

binding nicotinamide-adenine-dinucleotide: G12 (= G13), G16 (= G17), I17 (= I18), D36 (= D37), L37 (≠ C38), C61 (= C62), D62 (= D63), V63 (= V64), N89 (= N90), A90 (= A91), T140 (≠ L141), S142 (= S143), Y155 (= Y156), K159 (= K160), A186 (≠ G187), V187 (≠ F188)

5h5xC Crystal structure of nadh bound carbonyl reductase from streptomyces coelicolor
38% identity, 98% coverage: 4:255/256 of query aligns to 11:256/257 of 5h5xC

query
sites
5h5xC

L

F

K

A

G

G

K

R

V

T

A

A

V

L

I

V

T

T

G
|
G

G

A

S

A

V
x
S

G
|
G

I
|
I

G

G

A

L

A

A

T

T

A

A

L

R

R

R

M

L

A

G

E

A

E

G

G

G

A

A

A

R

V

V

A

V

I

V

L

A

D
|
D

C
x
F

Q

N

D

A

S

E

E

G

G

A

E

E

A

K

L

A

A

A

K

A

Q

E

L

L

E

R

G

A

R

G

G

G

L

V

K

E

A

A

G

A

Y

A

W

V

H

E

C
x
L

D
|
D

V

V

S

T

K

R

E

P

Q

E

E

S

V

V

K

E

Q

A

V

A

L

V

D

G

A

F

V

A

A

V

N

D

T

T

F

F

G

G

T

S

P

L

T

D

V

L

L

A

V

V

N

N

N
|
N

A
|
A

G

G

I

I

A

G

G

G

A

P

N

S

K

A

P

P

T

T

H

G

E

E

L

Y

T

D

E

V

E

A

W

Y

D

Q

H

R

V

V

Q

V

D

R

V

T

N

N

V

L

K

D

G

G

V

V

F

F

F

Y

C

S

T

M

K

R

H

Y

A

E

I

L

P

P

H

A

M

I

K

E

K

A

A

A

G

G

V

K

-

G

G

G

S

S

I

I

I

V

N

N

L

V

S

A

S
|
S

I

I

Y

L

G

G

L

S

V

V

S

G

A

F

P

A

D

G

I

S

P

P

P

A

Y
|
Y

H

V

A

A

S

A

K
|
K

G

H

A

G

V

V

R

V

L

G

M

L

S

T

K

K

T

A

D

A

A

A

L

A

L

E

Y

Y

A

A

T

A

E

R

N

G

I

I

R

R

C

I

N

N

S

A

I

V

H

G

P
|
P

G
|
G

F

F

I
|
I

W

D

T
|
T

P

P

L

L

V

-

E

-

A

-

H

-

L

L

K

K

T

T

T

M

G

-

Q

-

D

-

P

E

E

E

E

A

A

A

K

Y

K

K

A

G

T

L

A

V

A

A

M

L

H

H

P

P

V

A

G

G

H

R

M

L

G

G

E

R

P

S

D

D

D

E

I

V

A

A

W

E

G

L

A

I

V

V

Y

F

L

L

A

L

S

S

D

D

E

R

S

A

K

S

F

F

V

V

T

A

G

G

S

S

E

Y

L

H

V

L

I

V

D

D

G

G

G

A

Y

Y

T

T

A

A

active site: G24 (= G17), S151 (= S143), Y164 (= Y156), K168 (= K160)
binding 1,4-dihydronicotinamide adenine dinucleotide: G20 (= G13), S23 (≠ V16), G24 (= G17), I25 (= I18), D44 (= D37), F45 (≠ C38), L69 (≠ C62), D70 (= D63), N97 (= N90), A98 (= A91), Y164 (= Y156), K168 (= K160), P194 (= P186), G195 (= G187), I197 (= I189), T199 (= T191)

2hsdA The refined three-dimensional structure of 3alpha,20beta- hydroxysteroid dehydrogenase and possible roles of the residues conserved in short-chain dehydrogenases (see paper)
40% identity, 98% coverage: 4:254/256 of query aligns to 3:242/253 of 2hsdA

query
sites
2hsdA

L

L

K

S

G

G

K

K

V

T

A

V

V

I

I

I

T

T

G
|
G

G

G

S

A

V
x
R

G
|
G

I
x
L

G

G

A

A

A

E

T

A

A

A

L

R

R

Q

M

A

A

V

E

A

G

G

A

A

A

R

V

V

A

V

I

L

L

A

D
|
D

C
x
V

Q

L

D

D

S

E

E

E

G

G

E

A

A

A

L

T

A

A

K

R

Q

E

L

L

E

-

G

-

R

-

G

G

L

D

K

A

A

A

G

R

Y

Y

W

Q

H

H

C
x
L

D

D

V
|
V

S

T

K

I

E

E

Q

E

E

D

V

W

K

Q

Q

R

V

V

L

V

D

A

A

Y

V

A

A

R

N

E

T

E

F

F

G

G

T

S

P

V

T

D

V

G

L

L

V

V

N

N

N
|
N

A
|
A

G

G

I

I

A

S

-

T

G

G

A

M

N

F

K

L

P

E

T

T

H

E

E

S

L

V

T

-

E

-

E

E

E

R

W

F

D

R

H

K

V

V

Q

V

D

E

V

I

N

N

V

L

K

T

G

G

V

V

F

F

F

I

C

G

T

M

K

K

H

T

A

V

I

I

P

P

H

A

M

M

K

K

K

D

A

A

G

G

V

G

G

G

S

S

I

I

I

V

N

N

L

I

S

S

S
|
S

I

A

Y

A

G

G

L

L

V

M

S

G

A

L

P

A

D

L

I

T

P

S

Y
|
Y

H

G

A

A

S

S

K
|
K

G

W

A

G

V

V

R

R

L

G

M

L

S

S

K

K

T

L

D

A

A

A

L

V

L

E

Y

L

A

G

T

T

E

D

N

R

I

I

R

R

C

V

N

N

S

S

I

V

H

H

P
|
P

G
|
G

F

M

I
x
T

W

Y

T

T

P

P

L

M

V

-

E

-

A

-

H

-

L

-

K

-

T

-

T

T

G

A

Q

E

D

T

P

G

E

I

E

R

A

Q

K

G

K

E

A

G

T

N

A

Y

A

P

M

N

H

T

P

P

V

M

G

G

H

R

M

V

G

G

E

E

P

P

D

G

D

E

I

I

A

A

W

G

G

A

A

V

V

V

Y

K

L

L

A

L

S

S

D

D

E

T

S

S

K

S

F

Y

V

V

T

T

G

G

S

A

E

E

L

L

V

A

I

V

D

D

G

G

Y

W

T

T

active site: G16 (= G17), S138 (= S143), Y151 (= Y156), K155 (= K160)
binding nicotinamide-adenine-dinucleotide: G12 (= G13), R15 (≠ V16), G16 (= G17), L17 (≠ I18), D36 (= D37), V37 (≠ C38), L58 (≠ C62), V60 (= V64), N86 (= N90), A87 (= A91), S138 (= S143), Y151 (= Y156), K155 (= K160), P181 (= P186), G182 (= G187), T184 (≠ I189)

1hdcA Mechanism of inhibition of 3alpha,20beta-hydroxysteroid dehydrogenase by a licorice-derived steroidal inhibitor (see paper)
40% identity, 98% coverage: 4:254/256 of query aligns to 3:242/253 of 1hdcA

query
sites
1hdcA

L

L

K

S

G

G

K

K

V

T

A

V

V

I

I

I

T

T

G

G

S

A

V

R

G
|
G

I

L

G

G

A

A

A

E

T

A

A

A

L

R

R

Q

M

A

A

V

E

A

G

G

A

A

A

R

V

V

A

V

I

L

L

A

D

D

C

V

Q

L

D

D

S

E

E

E

G

G

E

A

A

A

L

T

A

A

K

R

Q

E

L

L

E

-

G

-

R

-

G

G

L

D

K

A

A

A

G

R

Y

Y

W

Q

H

H

C

L

D

D

V

V

S

T

K

I

E

E

Q

E

E

D

V

W

K

Q

Q

R

V

V

L

V

D

A

A

Y

V

A

A

R

N

E

T

E

F

F

G

G

T

S

P

V

T

D

V

G

L

L

V

V

N

N

A

A

G

G

I

I

A
x
S

-
x
T

G
|
G

A

M

N

F

K

L

P

E

T

T

H

E

E

S

L

V

T

-

E

-

E

E

E

R

W

F

D

R

H

K

V

V

Q

V

D

E

V

I

N

N

V

L

K

T

G

G

V

V

F

F

F

I

C

G

T

M

K

K

H

T

A

V

I

I

P

P

H

A

M

M

K

K

K

D

A

A

G

G

V

G

G

G

S

S

I

I

I

V

N

N

L

I

S

S

S
|
S

I

A

Y

A

G

G

L

L

V

M

S

G

A

L

P

A

D
x
L

I

T

P

S

Y
|
Y

H

G

A

A

S

S

K
|
K

G

W

A

G

V

V

R

R

L

G

M

L

S

S

K

K

T

L

D

A

A

A

L

V

L

E

Y

L

A

G

T

T

E

D

N

R

I

I

R

R

C

V

N

N

S

S

I

V

H

H

P

P

G

G

F
x
M

I

T

W

Y

T

T

P

P

L
x
M

V

-

E

-

A

-

H

-

L

-

K

-

T

-

T
|
T

G

A

Q

E

D
x
T

P

G

E

I

E

R

A

Q

K

G

K

E

A

G

T

N

A

Y

A

P

M

N

H

T

P

P

V

M

G

G

H

R

M

V

G

G

E

E

P

P

D

G

D

E

I

I

A

A

W

G

G

A

A

V

V

V

Y

K

L

L

A

L

S

S

D

D

E

T

S

S

K

S

F

Y

V

V

T

T

G

G

S

A

E

E

L

L

V

A

I

V

D

D

G

G

Y

W

T

T

active site: G16 (= G17), S138 (= S143), Y151 (= Y156), K155 (= K160)
binding carbenoxolone: S90 (≠ A94), T91 (vs. gap), G92 (= G95), L147 (≠ D152), Y151 (= Y156), M183 (≠ F188), M188 (≠ L193), T189 (= T201), T192 (≠ D204)

1nfqA Rv2002 gene product from mycobacterium tuberculosis (see paper)
41% identity, 99% coverage: 3:255/256 of query aligns to 3:239/244 of 1nfqA

query
sites
1nfqA

R

R

L

L

K

T

G

G

K

K

V

V

A

A

V

L

I

V

T

S

G

G

S

A

V
x
R

G
|
G

I
x
M

G

G

A

A

A

S

T

H

A

V

L

R

R

A

M

M

A

V

E

A

E

E

G

G

A

A

A

K

V

V

A

V

I

F

L

G

D
|
D

C

I

Q
x
L

D

D

S

E

E

E

G

G

E

K

A

A

L

M

A

A

K

A

Q

E

L

L

E

A

G

-

R

-

G

-

L

D

K

A

A

A

G

R

Y

Y

W

V

H

H

C
x
L

D
|
D

V
|
V

S

T

K

Q

E

P

Q

A

E

Q

V

W

K

K

Q

A

V

A

L

V

D

D

A

T

V

A

A

V

N

T

T

A

F

F

G

G

T

G

P

L

T

H

V

V

L

L

V

V

N

N

N
|
N

A
|
A

G

G

I

I

A
x
L

G

N

A

I

N

G

K

T

P

-

T

I

H

E

E

D

L

Y

T

A

E

L

E

T

E

E

W

W

D

Q

H

R

V

I

Q

L

D

D

V

V

N

N

V

L

K

T

G

G

V

V

F

F

F

L

C

G

T

I

K

R

H

A

A

V

I

V

P

K

H

P

M

M

K

K

K

E

A

A

G

G

V

R

G

G

S

S

I

I

N

N

L
x
I

S

S

S
|
S

I

I

Y
x
E

G

G

L

L

V

A

S

G

A

T

P

V

D

A

I
x
C

P

H

P

G

Y
|
Y

H

T

A

A

S

T

K
|
K

G

F

A

A

V

V

R

R

L

G

M

L

S

T

K

K

T

S

D

T

A

A

L

L

L

E

Y

L

A

G

T

P

E

S

N

G

I

I

R

R

C

V

N

N

S

S

I

I

H

H

P
|
P

G

G

F

L

I
x
V

W

K

T
|
T

P
|
P

L
x
M

V

-

E

-

A

-

H

-

L

-

K

-

T

-

T
|
T

G

D

Q

W

D
x
V

P

P

E

E

E

D

A
x
I

K
x
F

K

Q

A

T

T

A

A

-

M

-

H

-

P

-

V

L

G

G

H

R

M

A

G

A

E

E

P

P

D

V

D

E

I

V

A

S

W

N

G

L

A

V

V

V

Y

Y

L

L

A

A

S

S

D

D

E

E

S

S

K

S

F

Y

V

S

T

T

G

G

S

A

E

E

L

F

V

V

I

V

D

D

G

G

Y

T

T

V

A

A

active site: G17 (= G17), S139 (= S143), Y152 (= Y156), K156 (= K160)
binding Androsterone: L91 (≠ A94), E141 (≠ Y145), C149 (≠ I153), Y152 (= Y156), V193 (≠ D204), I197 (≠ A208), F198 (≠ K209)
binding 1,4-dihydronicotinamide adenine dinucleotide: R16 (≠ V16), G17 (= G17), M18 (≠ I18), D37 (= D37), L39 (≠ Q39), L59 (≠ C62), D60 (= D63), V61 (= V64), N87 (= N90), A88 (= A91), I137 (≠ L141), S139 (= S143), Y152 (= Y156), K156 (= K160), P182 (= P186), V185 (≠ I189), T187 (= T191), P188 (= P192), M189 (≠ L193), T190 (= T201)

Query Sequence

>GFF1748 FitnessBrowser__Marino:GFF1748
MERLKGKVAVITGGSVGIGAATALRMAEEGAAVAILDCQDSEGEALAKQLEGRGLKAGYW
HCDVSKEQEVKQVLDAVANTFGTPTVLVNNAGIAGANKPTHELTEEEWDHVQDVNVKGVF
FCTKHAIPHMKKAGVGSIINLSSIYGLVSAPDIPPYHASKGAVRLMSKTDALLYATENIR
CNSIHPGFIWTPLVEAHLKTTGQDPEEAKKATAAMHPVGHMGEPDDIAWGAVYLASDESK
FVTGSELVIDGGYTAR

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