SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_079650740.1 NCBI__GCF_900167915.1:WP_079650740.1 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)

Q6WVP7 NADP-dependent (R)-specific alcohol dehydrogenase; (R)-specific ADH; Ketoreductase; KRED; EC 1.1.1.- from Lentilactobacillus kefiri (Lactobacillus kefiri) (see paper)
39% identity, 99% coverage: 1:248/251 of query aligns to 1:250/252 of Q6WVP7

query
sites
Q6WVP7

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TLGI 16:19 (≠ AAGL 16:19) binding NADP(+)
RH 39:40 (vs. gap) binding NADP(+)
DA 63:64 (≠ DV 49:50) binding NADP(+)
N90 (= N76) binding NADP(+)
Y156 (= Y144) binding NADP(+)
K160 (= K148) binding NADP(+)
IKTPL 191:195 (≠ VRTPM 179:183) binding NADP(+)

Sites not aligning to the query:

252 binding Mg(2+)

7ejhA Crystal structure of kred mutant-f147l/l153q/y190p/l199a/m205f/m206f and 2-hydroxyisoindoline-1,3-dione complex
40% identity, 99% coverage: 1:248/251 of query aligns to 2:251/253 of 7ejhA

query
sites
7ejhA

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binding 2-oxidanylisoindole-1,3-dione: S144 (= S131), I145 (= I132), E146 (≠ G133), Y157 (= Y144), V197 (≠ H184), F207 (= F206)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G14), T17 (≠ A16), I20 (≠ L19), R40 (vs. gap), H41 (vs. gap), D64 (= D49), A65 (≠ V50), N91 (= N76), A92 (= A77), V114 (= V102), M142 (= M129), S144 (= S131), Y157 (= Y144), K161 (= K148), P189 (= P176), G190 (= G177), P191 (≠ Q178), I192 (≠ V179), T194 (= T181), P195 (= P182), L196 (≠ M183)

7ejiB Crystal structure of kred f147l/l153q/y190p/l199a/m205f/m206f variant and methyl methacrylate complex
40% identity, 98% coverage: 4:248/251 of query aligns to 3:249/251 of 7ejiB

query
sites
7ejiB

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binding methyl 2-methylprop-2-enoate: S142 (= S131), I143 (= I132), Y155 (= Y144), F205 (= F206)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G14), T15 (≠ A16), L16 (≠ A17), G17 (= G18), I18 (≠ L19), R38 (vs. gap), H39 (vs. gap), D62 (= D49), A63 (≠ V50), N89 (= N76), A90 (= A77), V112 (= V102), M140 (= M129), S142 (= S131), Y155 (= Y144), K159 (= K148), P187 (= P176), P189 (≠ Q178), I190 (≠ V179), T192 (= T181), P193 (= P182), L194 (≠ M183)

1zk1A Structure of r-specific alcohol dehydrogenase (mutant g37d) from lactobacillus brevis in complex with phenylethanol and NAD (see paper)
38% identity, 98% coverage: 2:248/251 of query aligns to 1:249/251 of 1zk1A

query
sites
1zk1A

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active site: G17 (= G18), S142 (= S131), Y155 (= Y144), K159 (= K148)
binding 1-phenylethanone: A93 (= A80), N95 (≠ G82), Y155 (= Y144), Y189 (≠ Q178)
binding nicotinamide-adenine-dinucleotide: G13 (= G14), L16 (≠ A17), I18 (≠ L19), D37 (= D38), H61 (≠ Q48), D62 (= D49), S63 (≠ V50), N89 (= N76), A90 (= A77), I92 (= I79), M140 (= M129), Y155 (= Y144), G188 (= G177), I190 (≠ V179), L194 (≠ M183)

1zjzA Structure of r-specific alcohol dehydrogenase (mutant g37d) from lactobacillus brevis in complex with phenylethanol and NAD (see paper)
38% identity, 98% coverage: 2:248/251 of query aligns to 1:249/251 of 1zjzA

query
sites
1zjzA

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G

G

R

P

L

V

D

S

G

T

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

I
|
I

A
|
A

D

V

G
x
N

K

K

G

S

P

V

P

E

D

E

P

T

E

T

G

T

A

A

L

-

A

-

E

-

D

E

W

W

R

R

R

K

I

L

Y

L

T

A

V

V

N

N

V

L

E

D

G

G

V

V

F

F

L

F

G

G

C

T

K

R

H

L

A

G

I

I

P

Q

A

R

I

M

A

K

A

N

A

K

G

G

-

L

G

G

G

A

A

S

I

I

V

I

N

N

M

M

S

S

S
|
S

I

I

G

E

A

G

L

F

V

V

P

G

T

D

P

P

F

S

L
|
L

S

G

A

A

Y
|
Y

G

N

A

A

S

S

K
|
K

A

G

A

A

V

V

M

R

Q

I

F

M

T

S

R

K

S

S

V

A

A

A

L

L

H

D

C

C

C

A

E

L

Q

K

G

D

H

Y

A

D

I

V

R

R

C

V

N

N

S

T

V

V

H

H

P

P

G
|
G

Q

Y

V
x
I

R

K

T

T

P

P

M
x
L

H

V

D

D

E

D

L

L

I

P

A

G

R

-

T

-

A

-

E

-

H

-

G

-

L

-

D

-

A

A

E

E

Q

E

A

A

A

M

Q

S

A

Q

F

-

L

R

S

T

K

K

V

T

P

P

M

M

K

G

K

H

W

I

Q

G

E

E

A

P

V

N

D

D

I

I

A

A

N

Y

G

I

V

C

L

V

F

Y

L

L

M

A

S

S

D

N

E

E

A

S

R

K

F

F

V

A

T

T

G

G

T

S

S

E

L

F

V

V

D

D

G

G

M

Y

S

T

active site: G17 (= G18), S142 (= S131), Y155 (= Y144), K159 (= K148)
binding nicotinamide-adenine-dinucleotide: G13 (= G14), L16 (≠ A17), I18 (≠ L19), D37 (= D38), D62 (= D49), N89 (= N76), A90 (= A77), G91 (= G78), I92 (= I79), Y155 (= Y144), G188 (= G177), I190 (≠ V179), L194 (≠ M183)
binding (1r)-1-phenylethanol: A93 (= A80), N95 (≠ G82), L152 (= L141), Y155 (= Y144)

1zjyA Structure of r-specific alcohol dehydrogenase (mutant g37d) from lactobacillus brevis in complex with phenylethanol and nadh (see paper)
38% identity, 98% coverage: 2:248/251 of query aligns to 1:249/251 of 1zjyA

query
sites
1zjyA

S

S

G

N

R

R

V

L

S

D

G

G

K

K

V

V

I

A

I

I

V

I

T

T

G
|
G

A

G

A

T

A
x
L

G
|
G

L
x
I

G

G

A

L

A

A

I

I

A

A

A

T

R

K

L

F

A

V

E

E

G

G

A

A

T

K

V

V

V

M

R

I

T

T

D
|
D

I

R

M

H

G

S

G

D

D

V

G

G

-

E

-

K

-

A

-

K

-

S

-

V

-

G

-

T

-

P

-

D

-

Q

-

I

-

Q

V

F

R

Q

Q

H

D
|
D

V

S

T

S

D

D

E

E

G

D

Q

G

W

W

Q

T

A

K

L

L

I

F

A

D

E

A

V

T

V

E

G

K

T

A

H

F

G

G

R

P

L

V

D

S

G

T

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

I
|
I

A
|
A

D

V

G
x
N

K

K

G

S

P

V

P

E

D

E

P

T

E

T

G

T

A

A

L

-

A

-

E

-

D

E

W

W

R

R

R

K

I

L

Y

L

T

A

V

V

N

N

V

L

E

D

G

G

V

V

F

F

L

F

G

G

C

T

K

R

H

L

A

G

I

I

P

Q

A

R

I

M

A

K

A

N

A

K

G

G

-

L

G

G

G

A

A

S

I

I

V

I

N

N

M

M

S

S

S
|
S

I

I

G

E

A

G

L

F

V

V

P

G

T

D

P

P

F

S

L
|
L

S

G

A

A

Y
|
Y

G

N

A

A

S

S

K
|
K

A

G

A

A

V

V

M

R

Q

I

F

M

T

S

R

K

S

S

V

A

A

A

L

L

H

D

C

C

C

A

E

L

Q

K

G

D

H

Y

A

D

I

V

R

R

C

V

N

N

S

T

V

V

H

H

P

P

G
|
G

Q
x
Y

V
x
I

R

K

T

T

P

P

M
x
L

H

V

D

D

E

D

L

L

I

P

A

G

R

-

T

-

A

-

E

-

H

-

G

-

L

-

D

-

A

A

E

E

Q

E

A

A

A

M

Q

S

A

Q

F

-

L

R

S

T

K

K

V

T

P

P

M

M

K

G

K

H

W

I

Q

G

E

E

A

P

V

N

D

D

I

I

A

A

N

Y

G

I

V

C

L

V

F

Y

L

L

M

A

S

S

D

N

E

E

A

S

R

K

F

F

V

A

T

T

G

G

T

S

S

E

L

F

V

V

D

D

G

G

M

Y

S

T

active site: G17 (= G18), S142 (= S131), Y155 (= Y144), K159 (= K148)
binding 1,4-dihydronicotinamide adenine dinucleotide: G13 (= G14), L16 (≠ A17), G17 (= G18), I18 (≠ L19), D37 (= D38), D62 (= D49), N89 (= N76), A90 (= A77), G91 (= G78), I92 (= I79), Y155 (= Y144), G188 (= G177), I190 (≠ V179), L194 (≠ M183)
binding (1r)-1-phenylethanol: A93 (= A80), N95 (≠ G82), L152 (= L141), Y155 (= Y144), Y189 (≠ Q178)

6y0sAAA R-specific alcohol dehydrogenase (see paper)
38% identity, 98% coverage: 2:248/251 of query aligns to 1:249/251 of 6y0sAAA

query
sites
6y0sAAA

S

S

G

N

R

R

V

L

S

D

G

G

K

K

V

V

I

A

I

I

V

I

T

T

G

G

A

G

A
x
T

A

L

G
|
G

L

I

G

G

A

L

A

A

I

I

A

A

A

T

R

K

L

F

A

V

E

E

G

G

A

A

T

K

V

V

V

M

R

I

T

T

D
x
G

I

R

M
x
H

G

S

G

D

D
x
V

G

G

-

E

-

K

-

A

-

K

-

S

-

V

-

G

-

T

-

P

-

D

-

Q

-

I

-

Q

V

F

R

Q

Q

H

D

D

V

S

T

S

D

D

E

E

G

D

Q

G

W

W

Q

T

A

K

L

L

I

F

A

D

E

A

V

T

V

E

G

K

T

A

H

F

G

G

R

P

L

V

D

S

G

T

L

L

V

V

N

N

A

A

G

G

I

I

A

A

D

V

G

N

K

K

G

S

P

V

P

E

D

E

P

T

E

E

G

T

A

A

L

-

A

-

E

-

D

E

W

W

R

R

R

K

I

L

Y

L

T

A

V

V

N

N

V

L

E

D

G

G

V

V

F

F

L

F

G

G

C

T

K

R

H

L

A

G

I

I

P

Q

A

R

I

M

A

K

A

N

A

K

G

G

-

L

G
|
G

G
x
A

A

S

I

I

V

I

N

N

M

M

S

S

S
|
S

I

I

G

E

A

G

L

F

V

V

P

G

T

D

P

P

F

S

L

L

S

G

A

A

Y
|
Y

G

N

A

A

S

S

K

K

A

G

A

A

V

V

M

R

Q

I

F

M

T

S

R

K

S

S

V

A

A

A

L

L

H

D

C

C

C

A

E

L

Q

K

G

D

H

Y

A
x
D

I

V

R
|
R

C

V

N

N

S

T

V

V

H

H

P

P

G

G

Q

Y

V

I

R

K

T

T

P

P

M

L

H

V

D

D

E

D

L

L

I

P

A

G

R

-

T

-

A

-

E

-

H

-

G

-

L

-

D

-

A

A

E

E

Q

E

A

A

A

M

Q

S

A

Q

F

-

L

R

S

T

K

K

V

T

P

P

M

M

K

G

K

H

W

I

Q

G

E

E

A

P

V

N

D

D

I

I

A

A

N

Y

G

I

V

C

L

V

F

Y

L

L

M

A

S

S

D

N

E

E

A

S

R

K

F

F

V

A

T

T

G

G

T

S

S

E

L

F

V

V

D

D

G

G

M

Y

S

T

active site: G17 (= G18), S142 (= S131), Y155 (= Y144)
binding magnesium ion: T15 (≠ A16), G37 (≠ D38), H39 (≠ M40), V42 (≠ D43), G134 (= G123), A135 (≠ G124), D179 (≠ A168), R181 (= R170)

1zk4A Structure of r-specific alcohol dehydrogenase (wildtype) from lactobacillus brevis in complex with acetophenone and NADP (see paper)
37% identity, 98% coverage: 2:248/251 of query aligns to 1:249/251 of 1zk4A

query
sites
1zk4A

S

S

G

N

R

R

V

L

S

D

G

G

K

K

V

V

I

A

I

I

V

I

T

T

G
|
G

A

G

A
x
T

A
x
L

G
|
G

L
x
I

G

G

A

L

A

A

I

I

A

A

A

T

R

K

L

F

A

V

E

E

G

G

A

A

T

K

V

V

V

M

R

I

T
|
T

D
x
G

I
x
R

M

H

G

S

G

D

D

V

G

G

-

E

-

K

-

A

-

K

-

S

-

V

-

G

-

T

-

P

-

D

-

Q

-

I

-

Q

V

F

R

Q

Q
x
H

D
|
D

V

S

T

S

D

D

E

E

G

D

Q

G

W

W

Q

T

A

K

L

L

I

F

A

D

E

A

V

T

V

E

G

K

T

A

H

F

G

G

R

P

L

V

D

S

G

T

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

I
|
I

A
|
A

D

V

G

N

K

K

G

S

P

V

P

E

D

E

P

T

E

T

G

T

A

A

L

-

A

-

E

-

D

E

W

W

R

R

R

K

I

L

Y

L

T

A

V

V

N

N

V

L

E

D

G

G

V

V

F

F

L

F

G

G

C

T

K

R

H

L

A

G

I

I

P

Q

A

R

I

M

A

K

A

N

A

K

G

G

-

L

G

G

G

A

A

S

I

I

V

I

N

N

M

M

S

S

S
|
S

I

I

G

E

A

G

L

F

V

V

P

G

T

D

P

P

F

S

L

L

S

G

A

A

Y
|
Y

G

N

A

A

S

S

K
|
K

A

G

A

A

V

V

M

R

Q

I

F

M

T

S

R

K

S

S

V

A

A

A

L

L

H

D

C

C

C

A

E

L

Q

K

G

D

H

Y

A

D

I

V

R

R

C

V

N

N

S

T

V

V

H

H

P

P

G
|
G

Q
x
Y

V
x
I

R

K

T
|
T

P

P

M
x
L

H

V

D

D

E

D

L

L

I

P

A

G

R

-

T

-

A

-

E

-

H

-

G

-

L

-

D

-

A

A

E

E

Q

E

A

A

A

M

Q

S

A

Q

F

-

L

R

S

T

K

K

V

T

P

P

M

M

K

G

K

H

W

I

Q

G

E

E

A

P

V

N

D

D

I

I

A

A

N

Y

G

I

V

C

L

V

F

Y

L

L

M

A

S

S

D

N

E

E

A

S

R

K

F

F

V

A

T

T

G

G

T

S

S

E

L

F

V

V

D

D

G

G

M

Y

S

T

active site: G17 (= G18), S142 (= S131), Y155 (= Y144), K159 (= K148)
binding 1-phenylethanone: A93 (= A80), Y155 (= Y144), Y189 (≠ Q178)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G14), T15 (≠ A16), L16 (≠ A17), I18 (≠ L19), T36 (= T37), G37 (≠ D38), R38 (≠ I39), H61 (≠ Q48), D62 (= D49), N89 (= N76), A90 (= A77), G91 (= G78), I92 (= I79), Y155 (= Y144), G188 (= G177), I190 (≠ V179), T192 (= T181), L194 (≠ M183)

8zaxA Crystal structure of a short-chain dehydrogenase from lactobacillus fermentum with NADPH
37% identity, 98% coverage: 3:248/251 of query aligns to 1:244/246 of 8zaxA

query
sites
8zaxA

G

G

R

Q

V

F

S

D

G

N

K

K

V

V

I

A

I

L

V

V

T

T

G
|
G

A

G

A
x
T

A
x
K

G
|
G

L
x
I

G

G

A

L

A

A

I

I

A

A

A

E

R

L

L

F

A

L

E

K

E

E

G

G

A

A

T

K

-

G

V

V

V

A

R

F

T

T

D
x
G

I
x
R

M
x
H

G

E

G

D

D

E

G

G

-

K

-

A

-

V

-

Q

-

E

-

R

-

L

-

G

-

E

-

R

-

S

-

L

V

F

V

I

R

T

Q
|
Q

D
|
D

V
|
V

T

S

D

K

E

E

G

E

Q

D

W

W

Q

Q

A

N

L

A

I

T

A

K

E

A

V

V

G

E

T

K

H

F

G

G

R

Q

L

L

D

D

G

A

L

I

V

V

N

N

N
|
N

A
|
A

G

G

I

I

A

G

D

T

G

-

K

-

G

-

P

P

P

L

D

G

P

I

E

E

G

E

A

M

L

T

A

L

E

D

D

H

W

W

R

N

R

R

I

E

Y

I

T

A

V
x
I

N

D

V

L

E

T

G

G

V

T

F

M

L

L

G

G

C

C

K

K

H

Y

A

G

I

V

P

K

A

A

I

M

A

K

A

E

A

H

G

G

G

-

A

A

I

I

V

V

N

N

M

I

S

S

S
|
S

I

I

G

E

A

G

L

M

V

I

P

G

T

D

P

P

F

T

L

V

S

P

A

A

Y
|
Y

G

N

A

A

S

A

K
|
K

A

G

V

V

M

R

Q

L

F

L

T

T

R

K

S

S

V

V

A

A

L

L

H

E

C

C

C

A

E

E

Q

K

G

G

H

Y

A

A

I

I

R

R

C

V

N

N

S

S

V

I

H

Y

P
|
P

G

G

Q

V

V
x
I

R

A

T

T

P

P

M

L

H

I

D

D

E

H

L

L

I

D

A

D

R

A

T

T

A

-

E

-

H

-

G

-

L

-

D

-

A

-

E

-

Q

-

A

-

A

K

Q

Q

A

F

F

Y

L

I

S

D

K

K

V

H

P

P

M

M

K

G

K

R

W

L

Q

G

E

K

A

P

V

E

D

E

I

V

A

A

N

K

G

M

V

A

L

V

F

F

L

V

M

A

S

S

D

D

E

G

A

A

R

S

F

F

V

S

T

T

G

G

T

S

S

E

L

F

V

V

D

D

G

G

M

Y

S

T

binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G14), T14 (≠ A16), K15 (≠ A17), G16 (= G18), I17 (≠ L19), G37 (≠ D38), R38 (≠ I39), H39 (≠ M40), Q59 (= Q48), D60 (= D49), V61 (= V50), N87 (= N76), A88 (= A77), I110 (≠ V102), S138 (= S131), Y151 (= Y144), K155 (= K148), P183 (= P176), I186 (≠ V179)

6ixmC Crystal structure of the ketone reductase chkred20 from the genome of chryseobacterium sp. Ca49 complexed with NAD (see paper)
35% identity, 98% coverage: 3:248/251 of query aligns to 1:246/248 of 6ixmC

query
sites
6ixmC

G

G

R

I

V

L

S

D

G

N

K

K

V

V

I

A

I

L

V

V

T

T

G
|
G

A

A

A

G

A
x
S

G
|
G

L
x
I

G

G

A

L

A

A

I

V

A

A

A

H

R

S

L

Y

A

A

E

K

E

E

G

G

A

A

T

K

V

V

V

I

R

V

T

S

D
|
D

I
|
I

-

N

-

E

-

D

-

H

-

G

-

N

-

K

-

A

-

V

-

E

-

D

-

I

-

K

-

A

M

Q

G

G

D

E

-

A

G

S

V

F

V

V

R

K

Q
x
A

D
|
D

V
x
T

T

S

D

N

E

P

G

E

Q

E

W

V

Q

E

A

A

L

L

I

V

A

K

E

R

V

T

V

V

G

E

T

I

H

Y

G

G

R

R

L

L

D

D

G

I

L

A

V

C

N

N

N
|
N

A
|
A

G

G

I

I

A

G

D

G

G

-

K

-

G

-

P

-

D

-

P

-

E

E

G

Q

A

A

L

L

A

A

E

G

D

D

-

Y

-

G

-

L

-

D

-

S

W

W

R

R

R

K

I

V

Y

L

T

S

V

I

N

N

V

L

E

D

G

G

V

V

F

F

L

Y

G

G

C

C

K

K

H

Y

A

E

I

L

P

E

A

Q

I

M

A

E

A

K

A

N

G

G

A

V

I

I

V

V

N

N

M
|
M

S

A

S
|
S

I

I

G

H

A

G

L

I

V

V

P

A

T

A

P

P

F

L

L

S

S

S

A

A

Y
|
Y

G

T

A

S

S

A

K
|
K

A

H

A

A

V

V

M

V

Q

G

F

L

T

T

R

K

S

N

V

I

A

G

L

A

H

E

C

Y

C

G

E

Q

Q

K

G

N

H

-

A

-

I

I

R

R

C

C

N

N

S

A

V

V

H

G

P
|
P

G
x
A

Q
x
Y

V
x
I

R

E

T

T

P

P

M
x
L

H

L

D

E

E

S

L

L

I

-

A

-

R

-

T

-

A

-

E

-

H

-

G

-

L

-

D

-

A

T

E

K

Q

E

A

M

A

K

Q

E

A

A

F

L

L

I

S

S

K

K

V

H

P

P

M

M

K

G

K

R

W

L

Q

G

E

K

A

P

V

E

D

E

I

V

A

A

N

E

G

L

V

V

L

L

F

F

L

L

M

S

S

S

D

E

E

K

A

S

R

S

F

F

V

M

T

T

G

G

T

G

S

Y

L

Y

V

L

V

V

D

D

G

G

M

Y

S

T

active site: G16 (= G18), S142 (= S131), Y155 (= Y144), K159 (= K148)
binding nicotinamide-adenine-dinucleotide: G12 (= G14), S15 (≠ A17), G16 (= G18), I17 (≠ L19), D36 (= D38), I37 (= I39), A61 (≠ Q48), D62 (= D49), T63 (≠ V50), N89 (= N76), A90 (= A77), M140 (= M129), S142 (= S131), Y155 (= Y144), K159 (= K148), P185 (= P176), A186 (≠ G177), Y187 (≠ Q178), I188 (≠ V179), L192 (≠ M183)

8y83A Crystal structure of a ketoreductase from sphingobacterium siyangense sy1 with co-enzyme (see paper)
37% identity, 96% coverage: 8:248/251 of query aligns to 7:247/249 of 8y83A

query
sites
8y83A

K

K

V

V

I

A

I

L

V

V

T

T

G
|
G

A

S

A

G

A
x
S

G
|
G

L
x
I

G

G

A

L

A

A

I

V

A

A

A

L

R

A

L

Y

A

G

E

K

E

E

G

G

A

A

T

K

V

V

R

I

T

S

D
|
D

I
|
I

-

N

-

E

-

Q

-

A

-

G

-

N

-

E

-

T

-

V

-

K

-

Q

-

I

-

E

-

S

M

L

G

G

D

E

G

A

V

V

V

F

-

F

R

K

Q
x
A

D
|
D

V
x
S

T

S

D

S

E

P

G

A

Q

D

W

N

Q

E

A

A

L

L

I

V

A

G

E

Y

V

A

V

V

G

K

T

T

H

F

G

G

R

R

L

L

D

D

G

I

L

A

V

C

N

N

N
|
N

A

A

G

G

I

I

A

G

D

G

G

-

K

-

G

-

P

-

D

-

P

-

E

E

G

A

A

A

L

L

A

T

E

G

D

D

-

Y

-

S

-

L

-

D

-

G

W

W

R

K

I

V

Y

I

T

D

V

I

N

N

V

F

E

N

G

G

V

V

F

F

L

Y

G

G

C

C

K

K

H

Y

A

Q

I

I

P

E

A

A

I

M

A

E

A

R

A

N

G

G

A

V

I

I

V

V

N

N

M
|
M

S

A

S

S

I

I

G

H

A

G

L

T

V

V

P

A

T

A

P

P

F

M

L

S

S

S

A

A

Y
|
Y

G

T

A

S

S

A

K
|
K

A

H

A

A

V

V

M

V

Q

G

F

L

T

T

R

K

S

N

V

I

A

G

L

A

H

E

C

Y

C

G

E

Q

Q

K

G

N

H

-

A

-

I

I

R

R

C

C

N

N

S

A

V

V

H

G

P
|
P

G
|
G

Q
x
Y

V
x
I

R

D

T

T

P

P

M

-

H

-

D

-

E

-

L
|
L

I

L

A

A

R

K

T

L

A

D

A

K

E

E

H

H

G

-

L

-

D

-

A

-

E

-

Q

-

A

-

A

I

Q

N

A

A

F

L

L

I

S

S

K

K

V

H

P

P

M

I

K

G

K

R

W

L

Q

G

E

K

A

A

V

E

D

E

I

V

A

A

N

E

G

L

V

V

L

L

F

F

L

L

M

S

S

S

D

D

E

K

A

S

R

S

F

F

V

M

T

T

G

G

T

G

S

Y

L

Y

V

L

V

V

D

D

G

G

M

Y

S

T

binding nicotinamide-adenine-dinucleotide: G13 (= G14), S16 (≠ A17), G17 (= G18), I18 (≠ L19), D37 (= D38), I38 (= I39), A62 (≠ Q48), D63 (= D49), S64 (≠ V50), N90 (= N76), M141 (= M129), Y156 (= Y144), K160 (= K148), P186 (= P176), G187 (= G177), Y188 (≠ Q178), I189 (≠ V179), L193 (= L187)

2cfcA Structural basis for stereo selectivity in the (r)- and (s)- hydroxypropylethane thiosulfonate dehydrogenases (see paper)
37% identity, 96% coverage: 8:248/251 of query aligns to 3:248/250 of 2cfcA

query
sites
2cfcA

K

R

V

V

I

A

I

I

V

V

T

T

G
|
G

A

A

A

S

A
x
S

G
|
G

L
x
N

G

G

A

L

A

A

I

I

A

A

A

T

R

R

L

F

A

L

E

A

E

R

G

G

A

D

T

R

V

V

V

A

R

A

T

L

D
|
D

I
x
L

M

S

G

A

-

E

-

T

-

L

-

E

-

T

-

A

-

R

-

T

-

H

-

W

-

H

-

A

-

Y

G

A

D

D

G

K

V

V

-

L

-

R

V

V

R

R

Q
x
A

D
|
D

V
|
V

T

A

D

D

E

E

G

G

Q

D

W

V

Q

N

A

A

L

A

I

I

A

A

E

A

V

T

V

M

G

E

T

Q

H

F

G

G

R

A

L

I

D

D

G

V

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

I

I

A

T

D

G

G

N

K

S

G

E

P

A

P

G

D

V

P

L

E

H

G

T

A

T

L

P

A

V

E

E

D

Q

W

F

R

D

R

K

I

V

Y

M

T

A

V

V

N

N

V

V

E

R

G

G

V

I

F

F

L

L

G

G

C

C

K

R

H

A

A

V

I

L

P

P

A

H

I

M

A

L

A

Q

G

G

G

A

G

G

A

V

I

I

V

V

N

N

M
x
I

S

A

S
|
S

I

V

G

A

A

S

L

L

V

V

P

A

T
x
F

P

P

F

G

L
x
R

S

S

A

A

Y
|
Y

G

T

A

T

S

S

K
|
K

A

G

A

A

V

V

M

L

Q

Q

F

L

T

T

R

K

S

S

V

V

A

A

L

V

H

D

C

Y

C

A

E

-

Q

-

G

G

H

S

A

G

I

I

R

R

C

C

N

N

S

A

V

V

H

C

P
|
P

G
|
G

Q
x
M

V
x
I

R

E

T
|
T

P
|
P

M
|
M

H

-

D

-

E

-

L

-

I

-

A

-

R

-

T

-

A

-

A
x
T

E

Q

H
x
W

G
x
R

L

L

D

D

A

Q

E

P

Q

E

A

L

A

R

Q

D

A

Q

F

V

L

L

S

A

K

R

V

I

P

P

M

Q

K

K

K

E

W

I

Q

G

E

T

A

A

V

A

D

Q

I

V

A

A

N

D

G

A

V

V

L

M

F

F

L

L

M

A

S

G

D

E

E

D

A

A

R

T

F

Y

V

V

T

N

G

G

T

A

S

A

L

L

V

V

V

M

D

D

G

G

G

A

M

Y

S

T

active site: G13 (= G18), S142 (= S131), Y155 (= Y144), K159 (= K148)
binding (2-[2-ketopropylthio]ethanesulfonate: F149 (≠ T138), R152 (≠ L141), Y155 (= Y144), W195 (≠ H195), R196 (≠ G196)
binding nicotinamide-adenine-dinucleotide: G9 (= G14), S12 (≠ A17), G13 (= G18), N14 (≠ L19), D33 (= D38), L34 (≠ I39), A59 (≠ Q48), D60 (= D49), V61 (= V50), N87 (= N76), A88 (= A77), G89 (= G78), I140 (≠ M129), P185 (= P176), G186 (= G177), M187 (≠ Q178), I188 (≠ V179), T190 (= T181), P191 (= P182), M192 (= M183), T193 (≠ A193)

Q56840 2-(R)-hydroxypropyl-CoM dehydrogenase; R-HPCDH; 2-[(R)-2-hydroxypropylthio]ethanesulfonate dehydrogenase; Aliphatic epoxide carboxylation component III; Epoxide carboxylase component III; RHPCDH1; EC 1.1.1.268 from Xanthobacter autotrophicus (strain ATCC BAA-1158 / Py2) (see 4 papers)
37% identity, 96% coverage: 8:248/251 of query aligns to 3:248/250 of Q56840

query
sites
Q56840

K

R

V

V

I

A

I

I

V

V

T

T

G

G

A

A

A

S

A
x
S

G
|
G

L
x
N

G

G

A

L

A

A

I

I

A

A

A

T

R

R

L

F

A

L

E

A

E

R

G

G

A

D

T

R

V

V

V

A

R

A

T

L

D
|
D

I

L

M

S

G

A

-

E

-

T

-

L

-

E

-

T

-

A

-

R

-

T

-

H

-

W

-

H

-

A

-

Y

G

A

D

D

G

K

V

V

-

L

-

R

V

V

R

R

Q

A

D
|
D

V
|
V

T

A

D

D

E

E

G

G

Q

D

W

V

Q

N

A

A

L

A

I

I

A

A

E

A

V

T

V

M

G

E

T

Q

H

F

G

G

R

A

L

I

D

D

G

V

L

L

V

V

N

N

N
|
N

A

A

G

G

I

I

A

T

D

G

G

N

K

S

G

E

P

A

P

G

D

V

P

L

E

H

G

T

A

T

L

P

A

V

E

E

D

Q

W

F

R

D

R

K

I

V

Y

M

T

A

V

V

N

N

V

V

E

R

G

G

V

I

F

F

L

L

G

G

C

C

K

R

H

A

A

V

I

L

P

P

A

H

I

M

A

L

A

Q

G

G

G

A

G

G

A

V

I

I

V

V

N

N

M

I

S

A

S
|
S

I

V

G

A

A

S

L

L

V

V

P

A

T

F

P

P

F

G

L
x
R

S

S

A

A

Y
|
Y

G

T

A

T

S

S

K
|
K

A

G

A

A

V

V

M

L

Q

Q

F

L

T

T

R

K

S

S

V

V

A

A

L

V

H

D

C

Y

C

A

E

-

Q

-

G

G

H

S

A

G

I

I

R
|
R

C

C

N

N

S

A

V

V

H

C

P

P

G

G

Q

M

V
x
I

R
x
E

T
|
T

P
|
P

M
|
M

H

-

D

-

E

-

L

-

I

-

A

-

R

-

T

-

A

-

A

T

E

Q

H
x
W

G
x
R

L

L

D

D

A

Q

E

P

Q

E

A

L

A
x
R

Q

D

A

Q

F

V

L

L

S

A

K
x
R

V

I

P

P

M

Q

K

K

K

E

W

I

Q

G

E

T

A

A

V

A

D

Q

I

V

A

A

N

D

G

A

V

V

L

M

F

F

L

L

M

A

S

G

D

E

E

D

A

A

R

T

F

Y

V

V

T

N

G

G

T

A

S

A

L

L

V

V

V

M

D

D

G

G

G

A

M

Y

S

T

SGN 12:14 (≠ AGL 17:19) binding NAD(+)
D33 (= D38) binding NAD(+)
DV 60:61 (= DV 49:50) binding NAD(+)
N87 (= N76) binding NAD(+)
S142 (= S131) mutation to A: Retains weak activity. 120-fold decrease in kcat.; mutation to C: Loss of activity.
R152 (≠ L141) binding 2-oxopropyl-coenzyme M; mutation to A: Almost loss of activity with the natural substrate 2-KPC, but does not affect activity with 2-butanone as substrate.
Y155 (= Y144) mutation Y->E,F: Loss of activity.
K159 (= K148) mutation to A: Loss of activity.
R179 (= R170) mutation to A: Loss of activity.
IETPM 188:192 (≠ VRTPM 179:183) binding NAD(+)
WR 195:196 (≠ HG 195:196) binding 2-oxopropyl-coenzyme M
R196 (≠ G196) mutation to A: Almost loss of activity with the natural substrate 2-KPC, but does not affect activity with 2-butanone as substrate.
R203 (≠ A203) mutation to A: Slight decrease in catalytic efficiency.
R209 (≠ K209) mutation to A: Does not affect catalytic efficiency.

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

5jc8D Crystal structure of a putative short-chain dehydrogenase/reductase from burkholderia xenovorans
40% identity, 98% coverage: 2:248/251 of query aligns to 1:258/262 of 5jc8D

query
sites
5jc8D

S

A

G

G

R

R

V

L

S

Q

G

G

K

K

V

V

I

A

I

L

V

V

T

T

G

G

A

A

A

G

A

C

-

I

-

G

-

P

-

G

-

W

G
|
G

L

N

G

G

A

R

A

A

I

I

A

A

A

V

R

R

L

F

A

A

E

E

G

G

A

A

T

H

V

V

V

I

R

A

T

V

D

D

-

R

-

D

-

L

-

A

-

S

-

M

-

D

-

A

-

T

-

L

-

E

-

L

I

V

M

R

G

A

D

G

G

G

V

S

V

V

R

T

Q

P

-

C

-

L

-

C

D

D

V

V

T

T

D

D

E

S

G

A

Q

S

W

V

Q

E

A

R

L

L

I

V

A

A

E

D

V

S

V

V

G

A

T

R

H

C

G

G

R

R

L

V

D

D

G

I

L

L

V

V

N

N

A

V

G

G

I

-

A

-

D

-

G

-

K

-

G

-

P

A

P

P

D

S

P

P

E

G

G

G

A

P

L

V

A

A

E

L

D

D

-

E

-

A

-

Q

W

W

R

A

R

M

I

Q

Y

L

T

E

V

L

N

N

V

L

E

T

G

T

V

A

F

F

L

L

G

M

C

C

K

K

H

Y

A

V

I

L

P

P

A

V

I

M

A

E

A

Q

G

G

A

A

I

I

V

V

N

N

M

I

S

A

S
|
S

I

T

G

S

A

G

L

I

V

R

P

W

T

T

P

G

F

A

L

A

S

Q

A

V

-

G

Y
|
Y

G

A

A

A

S

A

K
|
K

A

A

A

G

V

M

M

I

Q

Q

F

M

T

G

R

R

S

V

V

V

A

A

L

V

H

E

C

Y

C

A

E

A

Q

K

G

N

H

-

A

-

I

V

R

R

C

V

N

N

S

S

V

V

H

V

P

P

G

G

Q

L

V

L

R

H

T

T

P
|
P

M
|
M

H

V

D

D

E

T

L

K

I

I

A

A

R

-

T

-

A

-

E

-

H

H

G

N

L

G

D

D

A

V

E

E

Q

L

A

L

Q

R

A

K

F

R

L

Q

S

A

K

R

V

I

P

P

M

M

K

P

K

F

W

M

Q

G

E

D

A

G

V

R

D

D

I

T

A

A

N

N

G

A

V

A

L

L

F

F

L

L

M

A

S

S

D

D

E

E

A

A

R

R

F

F

V

V

T

T

G

G

T

T

S

E

L

I

V

V

D

D

G

G

M

M

S

S

active site: G22 (= G18), S147 (= S131), Y161 (= Y144), K165 (= K148)
binding magnesium ion: P197 (= P182), M198 (= M183)

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)
40% identity, 98% coverage: 1:246/251 of query aligns to 1:237/260 of P9WGT1

query
sites
P9WGT1

M

M

S

S

G

G

R

R

V

L

S
x
I

G

G

K

K

V

V

I

A

I

L

V

V

T

S

G

G

A

G

A

A

A
x
R

G

G

L
x
M

G

G

A

A

A

S

I

H

A

V

A

R

R

A

L

M

A

V

E

A

E

E

G

G

A

A

T

K

V

V

R

F

T

G

D
|
D

I

I

M

L

G

D

G

E

D

E

G

G

-

K

-

A

-
x
V

-

A

-

E

-

L

-

A

-

D

-

A

-

R

V

Y

V

V

R

H

Q

L

D
|
D

V
|
V

T

T

D

Q

E

P

G

A

Q

Q

W

W

Q
x
T

A

A

L

A

I

V

A

D

E

T

V

A

V

V

G

T

T

A

H

F

G

G

R

G

L

L

D

H

G

V

L

L

V

V

N

N

N
|
N

A

A

G

G

I

I

A

L

D

N

G

I

K

G

G

T

P

I

P

E

D

D

P

Y

E

-

G

-

A

A

L

L

A

T

E

E

D

-

W

W

R

Q

R

R

I

I

Y

L

T

D

V

V

N

N

V

L

E

T

G

G

V

V

F

F

L

L

G

G

C

I

K

R

H

A

A

V

I

V

P

K

A

P

I

M

A

K

A

E

A

A

G

G

G

R

G

G

A

S

I

I

V

I

N

N

M

I

S

S

S
|
S

I

I

G

E

A

G

L

L

V

A

P

G

T

T

P

V

F

A

L

C

S

H

A

G

Y
|
Y

G

T

A

A

S

T

K
|
K

A

F

A

A

V

V

M

R

Q

G

F

L

T

T

R

K

S

S

V

T

A

A

L

L

H

E

C

L

C

G

E

P

Q

S

G

G

H

-

A

-

I

I

R

R

C

V

N

N

S

S

V

I

H

H

P

P

G

G

Q

L

V
|
V

R

K

T
|
T

P

P

M

M

H
x
T

D

D

E

W

L

V

I

-

A

-

R

-

T

-

A

-

E

-

H

-

G

-

L

-

D

-

A

P

E

E

Q

D

A

I

A

F

Q

Q

A

T

F

A

L

L

S

G

K

R

V

A

P

-

M

-

K

-

W

-

Q

A

E

E

A

P

V

V

D

E

I

V

A

S

N

N

G

L

V

V

L

V

F

Y

L

L

M

A

S

S

D

D

E

E

A

S

R

S

F

Y

V

S

T

T

G

G

T

A

S

E

L

F

V

V

D

D

G

G

I6 (≠ S6) mutation to T: Maximal improvement in solubility; when associated with M-47 and K-69.
R17 (≠ A17) binding NAD(+)
M19 (≠ L19) binding NAD(+)
D38 (= D38) binding NAD(+)
V47 (vs. gap) mutation to M: Maximal improvement in solubility; when associated with T-6 and K-69.
D61 (= D49) binding NAD(+)
V62 (= V50) binding NAD(+)
T69 (≠ Q57) mutation to K: Maximal improvement in solubility; when associated with T-6 and M-47.
N88 (= N76) binding NAD(+)
S140 (= S131) 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 (= Y144) 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 (= K148) binding NAD(+)
V186 (= V179) binding NAD(+)
T188 (= T181) binding NAD(+)
T191 (≠ H184) binding NAD(+)

1nfqA Rv2002 gene product from mycobacterium tuberculosis (see paper)
39% identity, 98% coverage: 2:246/251 of query aligns to 1:236/244 of 1nfqA

query
sites
1nfqA

S

S

G

G

R

R

V

L

S

T

G

G

K

K

V

V

I

A

I

L

V

V

T

S

G

G

A

G

A

A

A
x
R

G
|
G

L
x
M

G

G

A

A

A

S

I

H

A

V

A

R

R

A

L

M

A

V

E

A

E

E

G

G

A

A

T

K

V

V

R

F

T

G

D
|
D

I

I

M
x
L

G

D

G

E

D

E

G

G

-

K

-

A

-

M

-

A

-

E

-

L

-

A

-

D

-

A

-

R

V

Y

V

V

R

H

Q
x
L

D
|
D

V
|
V

T

T

D

Q

E

P

G

A

Q

Q

W

W

Q

K

A

A

L

A

I

V

A

D

E

T

V

A

V

V

G

T

T

A

H

F

G

G

R

G

L

L

D

H

G

V

L

L

V

V

N

N

N
|
N

A
|
A

G

G

I

I

A
x
L

D

N

G

I

K

G

G

T

P

I

P

E

D

D

P

Y

E

-

G

-

A

A

L

L

A

T

E

E

D

-

W

W

R

Q

R

R

I

I

Y

L

T

D

V

V

N

N

V

L

E

T

G

G

V

V

F

F

L

L

G

G

C

I

K

R

H

A

A

V

I

V

P

K

A

P

I

M

A

K

A

E

A

A

G

G

G

R

G

G

A

S

I

I

V

I

N

N

M
x
I

S

S

S
|
S

I

I

G
x
E

A

G

L

L

V

A

P

G

T

T

P

V

F

A

L
x
C

S

H

A

G

Y
|
Y

G

T

A

A

S

T

K
|
K

A

F

A

A

V

V

M

R

Q

G

F

L

T

T

R

K

S

S

V

T

A

A

L

L

H

E

C

L

C

G

E

P

Q

S

G

G

H

-

A

-

I

I

R

R

C

V

N

N

S

S

V

I

H

H

P
|
P

G

G

Q

L

V
|
V

R

K

T
|
T

P
|
P

M
|
M

H
x
T

D

D

-

W

-
x
V

-

P

E

E

L

D

I
|
I

A
x
F

R

Q

T

T

A

A

A

-

E

-

H

-

G

-

L

-

D

-

A

-

E

-

Q

-

A

-

Q

-

A

-

F

-

L

-

S

-

K

-

V

-

P

-

M

L

K

G

K

R

W

A

Q

A

E

E

A

P

V

V

D

E

I

V

A

S

N

N

G

L

V

V

L

V

F

Y

L

L

M

A

S

S

D

D

E

E

A

S

R

S

F

Y

V

S

T

T

G

G

T

A

S

E

L

F

V

V

D

D

G

G

active site: G17 (= G18), S139 (= S131), Y152 (= Y144), K156 (= K148)
binding Androsterone: L91 (≠ A80), E141 (≠ G133), C149 (≠ L141), Y152 (= Y144), V193 (vs. gap), I197 (= I188), F198 (≠ A189)
binding 1,4-dihydronicotinamide adenine dinucleotide: R16 (≠ A17), G17 (= G18), M18 (≠ L19), D37 (= D38), L39 (≠ M40), L59 (≠ Q48), D60 (= D49), V61 (= V50), N87 (= N76), A88 (= A77), I137 (≠ M129), S139 (= S131), Y152 (= Y144), K156 (= K148), P182 (= P176), V185 (= V179), T187 (= T181), P188 (= P182), M189 (= M183), T190 (≠ H184)

1nffA Crystal structure of rv2002 gene product from mycobacterium tuberculosis (see paper)
39% identity, 98% coverage: 2:246/251 of query aligns to 1:236/244 of 1nffA

query
sites
1nffA

S

S

G

G

R

R

V

L

S

T

G

G

K

K

V

V

I

A

I

L

V

V

T

S

G
|
G

A

G

A

A

A
x
R

G
|
G

L
x
M

G

G

A

A

A

S

I

H

A

V

A

R

R

A

L

M

A

V

E

A

E

E

G

G

A

A

T

K

V

V

R

F

T

G

D
|
D

I
|
I

M
x
L

G

D

G

E

D

E

G

G

-

K

-

A

-

M

-

A

-

E

-

L

-

A

-

D

-

A

-

R

V

Y

V

V

R

H

Q
x
L

D
|
D

V
|
V

T

T

D

Q

E

P

G

A

Q

Q

W

W

Q

K

A

A

L

A

I

V

A

D

E

T

V

A

V

V

G

T

T

A

H

F

G

G

R

G

L

L

D

H

G

V

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

I
|
I

A

L

D

N

G

I

K

G

G

T

P

I

P

E

D

D

P

Y

E

-

G

-

A

A

L

L

A

T

E

E

D

-

W

W

R

Q

R

R

I

I

Y

L

T

D

V

V

N

N

V

L

E

T

G

G

V

V

F

F

L

L

G

G

C

I

K

R

H

A

A

V

I

V

P

K

A

P

I

M

A

K

A

E

A

A

G

G

G

R

G

G

A

S

I

I

V

I

N

N

M
x
I

S

S

S
|
S

I

I

G

E

A

G

L

L

V

A

P

G

T

T

P

V

F

A

L

C

S

H

A

G

Y
|
Y

G

T

A

A

S

T

K
|
K

A

F

A

A

V

V

M

R

Q

G

F

L

T

T

R

K

S

S

V

T

A

A

L

L

H

E

C

L

C

G

E

P

Q

S

G

G

H

-

A

-

I

I

R

R

C

V

N

N

S

S

V

I

H

H

P
|
P

G

G

Q

L

V
|
V

R

K

T
|
T

P
|
P

M
|
M

H
x
T

D

D

-

W

-

V

-

P

E

E

L

D

I

I

A

F

R

Q

T

T

A

A

A

-

E

-

H

-

G

-

L

-

D

-

A

-

E

-

Q

-

A

-

Q

-

A

-

F

-

L

-

S

-

K

-

V

-

P

-

M

L

K

G

K

R

W

A

Q

A

E

E

A

P

V

V

D

E

I

V

A

S

N

N

G

L

V

V

L

V

F

Y

L

L

M

A

S

S

D

D

E

E

A

S

R

S

F

Y

V

S

T

T

G

G

T

A

S

E

L

F

V

V

D

D

G

G

active site: G17 (= G18), S139 (= S131), Y152 (= Y144), K156 (= K148)
binding nicotinamide-adenine-dinucleotide: G13 (= G14), R16 (≠ A17), G17 (= G18), M18 (≠ L19), D37 (= D38), I38 (= I39), L39 (≠ M40), L59 (≠ Q48), D60 (= D49), V61 (= V50), N87 (= N76), A88 (= A77), G89 (= G78), I90 (= I79), I137 (≠ M129), S139 (= S131), Y152 (= Y144), K156 (= K148), P182 (= P176), V185 (= V179), T187 (= T181), P188 (= P182), M189 (= M183), T190 (≠ H184)

4wecA Crystal structure of a short chain dehydrogenase from mycobacterium smegmatis
35% identity, 99% coverage: 1:248/251 of query aligns to 4:251/258 of 4wecA

query
sites
4wecA

M

L

S

T

G

Q

R

R

V

L

S

A

G

G

K

K

V

V

I

A

I

V

V

I

T

T

G
|
G

A

G

A
|
A

A
x
S

G
|
G

L
x
I

G

G

A

L

A

A

I

T

A

G

A

R

R

R

L

L

A

R

E

A

E

E

G

G

A

A

T

T

V

V

R

V

T

G

D
|
D

I
|
I

M

D

G

P

G

T

D

T

G

G

-

K

-

A

-

D

-

E

-

L

-

E

-

G

-

L

V

F

V

V

R

P

Q
x
V

D
|
D

V
|
V

T

S

D

E

E

Q

G

E

Q

A

W

V

Q

D

A

N

L

L

I

F

A

D

E

T

V

A

G

S

T

T

H

F

G

G

R

R

L

V

D

D

G

I

L

A

V

F

N

N

N
|
N

A

A

G

G

I

I

A

S

D

-

G

-

K

-

G

-

P

-

D

P

P

P

E

E

G

D

A

D

L

L

A

I

E

E

D

N

-

T

-

D

-

L

-

P

-

A

W

W

R

Q

R

R

I

V

Y

Q

T

D

V

I

N

N

V

L

E

K

G

S

V

V

F

Y

L

L

G

S

C

C

K

R

H

A

A

A

I

L

P

R

A

H

I

M

A

V

A

P

A

A

G

G

G

K

G

G

A

S

I

I

V

I

N

N

M
x
T

S

A

S
|
S

I

F

G

V

A

A

L

V

V

M

P

G

T

S

P

A

F

T

L

S

S
x
Q

-

I

A

S

Y
|
Y

G

T

A

A

S

S

K
|
K

A

G

V

V

M

L

Q

A

F

M

T

S

R

R

S

E

V

L

A

G

L

V

H

Q

C

Y

C

A

E

R

Q

Q

G

G

H

-

A

-

I

I

R

R

C

V

N

N

S

A

V

L

H

C

P
|
P

G

G

Q
x
P

V
|
V

R

N

T

T

P

P

M

L

H

L

D

Q

E

E

L

L

I

F

A

A

R

K

T

-

A

-

E

-

H

-

G

-

L

-

D

D

A

P

E

E

Q

R

A

A

Q

R

A

R

F

-

L

L

S

V

K

H

V

I

P

P

M

L

K

G

K

R

W

F

Q

A

E

E

A

P

V

E

D

E

I

L

A

A

N

A

G

A

V

V

L

A

F

F

L

L

M

A

S

S

D

D

E

D

A

A

R

S

F

F

V

I

T

T

G

G

T

S

S

T

L

F

V

L

V

V

D

D

G

G

M

I

S

S

active site: G21 (= G18), S143 (= S131), Q154 (≠ S142), Y157 (= Y144), K161 (= K148)
binding nicotinamide-adenine-dinucleotide: G17 (= G14), A19 (= A16), S20 (≠ A17), G21 (= G18), I22 (≠ L19), D41 (= D38), I42 (= I39), V61 (≠ Q48), D62 (= D49), V63 (= V50), N89 (= N76), T141 (≠ M129), Y157 (= Y144), K161 (= K148), P187 (= P176), P189 (≠ Q178), V190 (= V179)

2dtxA Structure of thermoplasma acidophilum aldohexose dehydrogenase (aldt) in complex with d-mannose (see paper)
38% identity, 96% coverage: 8:249/251 of query aligns to 8:247/255 of 2dtxA

query
sites
2dtxA

K

K

V

V

I

V

I

I

V

V

T

T

G

G

A

A

A

S

A

M

G
|
G

L

I

G

G

A

R

A

A

I

I

A

A

A

E

R

R

L

F

A

V

E

D

E

E

G

G

A

S

T

K

V

V

V

I

R

D

T

L

D

S

I

I

M

H

G

D

-

P

G

G

D

E

G

A

V

K

-

Y

-

D

-

H

V

I

R

E

Q

C

D

D

V

V

T

T

D

N

E

P

G

D

Q

Q

W

V

Q

K

A

A

L

S

I

I

A

D

E

H

V

I

V

F

G

K

T

E

H

Y

G

G

R

S

L

I

D

S

G

V

L

L

V

V

N

N

A

A

G

G

I

I

A

E

D

S

-

Y

G

G

K

K

G

-

P

-

D

-

P

I

E

E

G

S

A

M

L

S

A

M

E

G

D

E

W

W

R

R

I

I

Y

I

T

D

V

V

N

N

V

L

E

F

G

G

V

Y

F

Y

L

Y

G

A

C

S

K

K

H

F

A

A

I

I

P

P

A

Y

I

M

A

I

A

R

A

S

G

R

G

D

G

P

A

S

I

I

V

V

N

N

M

I

S

S

S
|
S

I
x
V

G
x
Q

A

A

L

S

V

I

P

I

T

T

P

K

F

N

L

A

S

S

A

A

Y
|
Y

G

V

A

T

S
|
S

K
|
K

A

H

A

A

V

V

M

I

Q

G

F

L

T

T

R

K

S

S

V

I

A

A

L

L

H

-

C

-

E

D

Q

Y

G

A

H

P

A

L

I

L

R

R

C

C

N

N

S

A

V

V

H

C

P

P

G
x
A

Q
x
T

V

I

R

D

T

T

P

P

M

L

H

-

D

-

E

-

L

-

I

-

A

V

R

R

T

K

A

A

E

E

-

L

-

E

-

V

-

G

-

S

H

D

G

P

L

M

D

R

A

I

E

E

Q

K

A

K

A

I

Q

S

A

E

F

W

L

G

S

H

K

E

V

H

P

P

M

M

K

Q

K

R

W

I

Q

G

E

K

A

P

V

Q

D

E

I

V

A

A

N

S

G

A

V

V

L

A

F

F

L

L

M

A

S

S

D

R

E

E

A

A

R

S

F

F

V

I

T

T

G

G

T

T

S

C

L

L

V

Y

V

V

D

D

G

G

M

L

S

S

L

I

active site: G18 (= G18), S132 (= S131), Y145 (= Y144), S148 (= S147), K149 (= K148)
binding beta-D-mannopyranose: V133 (≠ I132), Q134 (≠ G133), Y145 (= Y144), A175 (≠ G177), T176 (≠ Q178)

2dteA Structure of thermoplasma acidophilum aldohexose dehydrogenase (aldt) in complex with nadh (see paper)
38% identity, 96% coverage: 8:249/251 of query aligns to 8:247/255 of 2dteA

query
sites
2dteA

K

K

V

V

I

V

I

I

V

V

T

T

G
|
G

A

A

A
x
S

A
x
M

G
|
G

L
x
I

G

G

A

R

A

A

I

I

A

A

A

E

R

R

L

F

A

V

E

D

E

E

G

G

A

S

T

K

V

V

V

I

R

D

T

L

D
x
S

I
|
I

M

H

G

D

-

P

G

G

D

E

G

A

V

K

-

Y

-

D

-

H

V

I

R

E

Q
x
C

D
|
D

V
|
V

T

T

D

N

E

P

G

D

Q

Q

W

V

Q

K

A

A

L

S

I

I

A

D

E

H

V

I

V

F

G

K

T

E

H

Y

G

G

R

S

L

I

D

S

G

V

L

L

V

V

N

N

N
|
N

A
|
A

G

G

I

I

A

E

D

S

-

Y

G

G

K

K

G

-

P

-

D

-

P

I

E

E

G

S

A

M

L

S

A

M

E

G

D

E

W

W

R

R

I

I

Y

I

T

D

V

V

N

N

V

L

E

F

G

G

V

Y

F

Y

L

Y

G

A

C

S

K

K

H

F

A

A

I

I

P

P

A

Y

I

M

A

I

A

R

A

S

G

R

G

D

G

P

A

S

I

I

V

V

N

N

M
x
I

S

S

S
|
S

I

V

G

Q

A

A

L

S

V

I

P

I

T

T

P

K

F

N

L

A

S

S

A

A

Y
|
Y

G

V

A

T

S
|
S

K
|
K

A

H

A

A

V

V

M

I

Q

G

F

L

T

T

R

K

S

S

V

I

A

A

L

L

H

-

C

-

E

D

Q

Y

G

A

H

P

A

L

I

L

R

R

C

C

N

N

S

A

V

V

H

C

P
|
P

G
x
A

Q
x
T

V
x
I

R

D

T
|
T

P
|
P

M
x
L

H

-

D

-

E

-

L

-

I

-

A
x
V

R

R

T

K

A

A

E

E

-

L

-

E

-

V

-

G

-

S

H

D

G

P

L

M

D

R

A

I

E

E

Q

K

A

K

A

I

Q

S

A

E

F

W

L

G

S

H

K

E

V

H

P

P

M

M

K

Q

K

R

W

I

Q

G

E

K

A

P

V

Q

D

E

I

V

A

A

N

S

G

A

V

V

L

A

F

F

L

L

M

A

S

S

D

R

E

E

A

A

R

S

F

F

V

I

T

T

G

G

T

T

S

C

L

L

V

Y

V

V

D

D

G

G

M

L

S

S

L

I

active site: G18 (= G18), S132 (= S131), Y145 (= Y144), S148 (= S147), K149 (= K148)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G14), S16 (≠ A16), M17 (≠ A17), G18 (= G18), I19 (≠ L19), S38 (≠ D38), I39 (= I39), C52 (≠ Q48), D53 (= D49), V54 (= V50), N80 (= N76), A81 (= A77), I130 (≠ M129), S132 (= S131), Y145 (= Y144), K149 (= K148), P174 (= P176), A175 (≠ G177), T176 (≠ Q178), I177 (≠ V179), T179 (= T181), P180 (= P182), L181 (≠ M183), V182 (≠ A189)

Query Sequence

>WP_079650740.1 NCBI__GCF_900167915.1:WP_079650740.1
MSGRVSGKVIIVTGAAAGLGAAIAARLAEEGATVVRTDIMGGDGVVRQDVTDEGQWQALI
AEVVGTHGRLDGLVNNAGIADGKGPPDPEGALAEDWRRIYTVNVEGVFLGCKHAIPAIAA
AGGGAIVNMSSIGALVPTPFLSAYGASKAAVMQFTRSVALHCCEQGHAIRCNSVHPGQVR
TPMHDELIARTAAEHGLDAEQAAQAFLSKVPMKKWQEAVDIANGVLFLMSDEARFVTGTS
LVVDGGMSLTN

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