SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_157499288.1 NCBI__GCF_000769915.1:WP_157499288.1 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)

Q9LBG2 Levodione reductase; (6R)-2,2,6-trimethyl-1,4-cyclohexanedione reductase; EC 1.1.1.- from Leifsonia aquatica (Corynebacterium aquaticum) (see paper)
47% identity, 98% coverage: 4:260/263 of query aligns to 11:267/267 of Q9LBG2

query
sites
Q9LBG2

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17:42 (vs. 10:35, 58% identical) binding NAD(+)
E103 (= E96) mutation E->A,D,N,Q: 26-fold increase in Km and a much lower enantiomeric excess of the reaction products.

1iy8A Crystal structure of levodione reductase (see paper)
47% identity, 98% coverage: 4:260/263 of query aligns to 2:258/258 of 1iy8A

query
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1iy8A

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active site: G15 (= G17), S143 (= S145), Q153 (= Q155), Y156 (= Y158), K160 (= K162)
binding nicotinamide-adenine-dinucleotide: G11 (= G13), S14 (≠ M16), G15 (= G17), L16 (= L18), D35 (= D37), V36 (≠ Y38), A62 (= A64), D63 (= D65), V64 (= V66), N90 (= N92), G92 (= G94), I93 (= I95), T141 (≠ V143), S143 (= S145), Y156 (= Y158), K160 (= K162), P186 (= P188), G187 (= G189), T191 (= T193), P192 (= P194), M193 (= M195)

6ixmC Crystal structure of the ketone reductase chkred20 from the genome of chryseobacterium sp. Ca49 complexed with NAD (see paper)
40% identity, 96% coverage: 4:255/263 of query aligns to 3:244/248 of 6ixmC

query
sites
6ixmC

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active site: G16 (= G17), S142 (= S145), Y155 (= Y158), K159 (= K162)
binding nicotinamide-adenine-dinucleotide: G12 (= G13), S15 (≠ M16), G16 (= G17), I17 (≠ L18), D36 (= D37), I37 (≠ Y38), A61 (= A64), D62 (= D65), T63 (≠ V66), N89 (= N92), A90 (= A93), M140 (≠ V143), S142 (= S145), Y155 (= Y158), K159 (= K162), P185 (= P188), A186 (≠ G189), Y187 (≠ A190), I188 (= I191), L192 (≠ M195)

4nbuB Crystal structure of fabg from bacillus sp (see paper)
41% identity, 97% coverage: 1:255/263 of query aligns to 2:241/244 of 4nbuB

query
sites
4nbuB

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active site: G18 (= G17), N111 (= N117), S139 (= S145), Q149 (= Q155), Y152 (= Y158), K156 (= K162)
binding acetoacetyl-coenzyme a: D93 (≠ Q99), K98 (≠ E104), S139 (= S145), N146 (≠ V152), V147 (≠ L153), Q149 (= Q155), Y152 (= Y158), F184 (≠ A190), M189 (= M195), K200 (≠ E214)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G13), N17 (≠ M16), G18 (= G17), I19 (≠ L18), D38 (= D37), F39 (≠ Y38), V59 (≠ A64), D60 (= D65), V61 (= V66), N87 (= N92), A88 (= A93), G89 (= G94), I90 (= I95), T137 (≠ V143), S139 (= S145), Y152 (= Y158), K156 (= K162), P182 (= P188), F184 (≠ A190), T185 (≠ I191), T187 (= T193), M189 (= M195)

6zzsD Crystal structure of (r)-3-hydroxybutyrate dehydrogenase from acinetobacter baumannii complexed with NAD+ and 3-oxovalerate (see paper)
36% identity, 96% coverage: 4:255/263 of query aligns to 5:257/261 of 6zzsD

query
sites
6zzsD

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Q

K

K

V

L

I

V

D

Q

I

V

N

M

L

L

M

T

G

G

V

A

Y

F

Y

I

G

G

M

I

R

K

Y

H

V

V

I

L

P

P

V

I

M

M

Q

K

K

A

Q

Q

K

K

Y

Y

G

G

R

R

I

I

V

I

N

N

V
x
M

A
|
A

S
|
S

V

I

G
x
N

G

G

I

L

R

I

G

G

V

F

L

A

N

G

Q
x
K

T

A

P

G

Y
|
Y

V

N

A

S

S

A

K
|
K

H

H

A

G

V

V

S

I

G

G

M

L

T

T

K

K

N

V

A

A

I

L

E

E

Y

C

G

A

K

R

D

D

G

G

I

I

L

T

T

V

N

N

A

A

I

L

A

C

P
|
P

G
|
G

A

Y

I
x
V

L

D

T
|
T

P

P

M
x
L

V

V

-

R

-

G

-
x
Q

-

I

A

A

E

D

A

L

F

A

K

K

Q

T

V

R

N

N

P

V

D

S

D

L

P

D

K

S

A

A

A

L

E

E

A

D

E

V

Y

I

A

L

Q

A

R

M

N

V

P

P

T

Q

R

K

A

R

L

L

G

L

D

S

P

V

K

E

D

E

V

I

G

A

K

D

L

Y

V

A

S

I

F

F

L

L

I

A

S

S

D

S

E

K

N

A

G

G

Y

G

V

V

N

T

G

G

Q

Q

T

A

I

V

A

V

I

M

D

D

G

G

active site: G18 (= G17), S143 (= S145), Y156 (= Y158)
binding nicotinamide-adenine-dinucleotide: G14 (= G13), S17 (≠ M16), I19 (≠ L18), D38 (= D37), M39 (≠ Y38), D64 (= D65), V65 (= V66), N91 (= N92), A92 (= A93), G93 (= G94), M141 (≠ V143), A142 (= A144), S143 (= S145), Y156 (= Y158), K160 (= K162), P186 (= P188), G187 (= G189), V189 (≠ I191), T191 (= T193), L193 (≠ M195)
binding 3-oxidanylidenepentanoic acid: Q95 (≠ E96), S143 (= S145), N145 (≠ G147), K153 (≠ Q155), Y156 (= Y158), Q197 (vs. gap)

6zzqA Crystal structure of (r)-3-hydroxybutyrate dehydrogenase from acinetobacter baumannii complexed with NAD+ and acetoacetate (see paper)
36% identity, 96% coverage: 4:255/263 of query aligns to 4:256/260 of 6zzqA

query
sites
6zzqA

M

L

K

D

N

G

K

K

V

V

I

A

I

F

I

I

T

T

G
|
G

A

S

A

A

M
x
S

G
|
G

L
x
I

G

G

F

L

A

E

A

I

A

A

E

K

L

F

A

A

S

Q

K

E

G

G

A

A

K

K

L

V

V

V

L

I

V

S

D
|
D

Y
x
M

N

N

E

A

D

E

A

K

L

C

K

Q

D

E

A

T

L

A

E

N

K

S

L

L

S

-

N

K

N

E

N

Q

G

G

L

F

D

D

A

A

I

L

S

S

I

A

K

P

A

C

D
|
D

V
|
V

S

T

D

D

E

E

E

D

Q

A

V

Y

K

K

N

Q

Y

A

V

I

N

E

K

L

T

T

V

Q

E

K

K

T

Y

F

G

G

R

T

I

V

D

D

G

I

F

L

Y

I

N

N

N
|
N

A
|
A

G
|
G

I

F

E
x
Q

G

-

R

H

Q

V

A

A

P

P

L

I

T

E

E

E

Y

F

D

P

I

T

D

A

I

V

F

F

K

Q

K

K

V

L

I

V

D

Q

I

V

N

M

L

L

M

T

G

G

V

A

Y

F

Y

I

G

G

M

I

R

K

Y

H

V

V

I

L

P

P

V

I

M

M

Q

K

K

A

Q

Q

K

K

Y

Y

G

G

R

R

I

I

V

I

N

N

V
x
M

A
|
A

S
|
S

V

I

G

N

G

G

I

L

R

I

G

G

V

F

L

A

N

G

Q
x
K

T

A

P

G

Y
|
Y

V

N

A

S

S

A

K
|
K

H

H

A

G

V

V

S

I

G

G

M

L

T

T

K

K

N

V

A

A

I

L

E

E

Y

C

G

A

K

R

D

D

G

G

I

I

L

T

T

V

N

N

A

A

I

L

A

C

P

P

G

G

A
x
Y

I
x
V

L

D

T
|
T

P

P

M

L

V

V

-

R

-

G

-
x
Q

-

I

A

A

E

D

A

L

F

A

K

K

Q

T

V

R

N

N

P

V

D

S

D

L

P

D

K

S

A

A

A

L

E

E

A

D

E

V

Y

I

A

L

Q

A

R

M

N

V

P

P

T

Q

R

K

A

R

L

L

G

L

D

S

P

V

K

E

D

E

V

I

G

A

K

D

L

Y

V

A

S

I

F

F

L

L

I

A

S

S

D

S

E

K

N

A

G

G

Y

G

V

V

N

T

G

G

Q

Q

T

A

I

V

A

V

I

M

D

D

G

G

active site: G17 (= G17), S142 (= S145), Y155 (= Y158)
binding acetoacetic acid: Q94 (≠ E96), S142 (= S145), K152 (≠ Q155), Y155 (= Y158), Q196 (vs. gap)
binding nicotinamide-adenine-dinucleotide: G13 (= G13), S16 (≠ M16), G17 (= G17), I18 (≠ L18), D37 (= D37), M38 (≠ Y38), D63 (= D65), V64 (= V66), N90 (= N92), A91 (= A93), G92 (= G94), M140 (≠ V143), A141 (= A144), S142 (= S145), Y155 (= Y158), K159 (= K162), Y187 (≠ A190), V188 (≠ I191), T190 (= T193)

4fn4A Short-chain NAD(h)-dependent dehydrogenase/reductase from sulfolobus acidocaldarius (see paper)
36% identity, 98% coverage: 3:259/263 of query aligns to 4:254/254 of 4fn4A

query
sites
4fn4A

T

S

M

L

K

K

N

N

K

K

V

V

I

V

I

I

I

V

T

T

G
|
G

A

A

A

G

M
x
S

G
|
G

L
x
I

G

G

F

R

A

A

A

I

A

A

E

K

L

F

A

A

S

L

K

N

G

D

A

S

K

I

L

V

V

V

L

A

V

V

D
x
E

Y
x
L

N

L

E

E

D

D

A
x
R

L

L

K

N

D

Q

A

I

L

V

E

Q

K

E

L

L

S

-

N

R

N

G

N

M

G

G

L

K

D

E

A

V

I

L

S

G

I

V

K

K

A
|
A

D
|
D

V
|
V

S

S

D

K

E

K

Q

D

V

V

K

E

N

E

Y

F

V

V

N

R

K

R

T

T

V

F

E

E

K

T

Y

Y

G

S

R

R

I

I

D

D

G

V

F

L

Y

C

N

N

N
|
N

A

A

G
|
G

I
|
I

E

M

G

D

R

G

Q

V

A

T

P

P

L

V

T

A

E

E

Y

V

D

S

I

D

D

E

I

L

F

W

K

E

K

R

V

V

I

L

D

A

I

V

N

N

L

L

M

Y

G

S

V

A

Y

F

Y

Y

G

S

M

S

R

R

Y

A

V

V

I

I

P

P

V

I

M

M

Q

L

K

K

Q

Q

K

G

Y

K

G

G

R

V

I

I

V

V

N

N

V
x
T

A

A

S
|
S

V

I

G

A

G

G

I

I

R

R

G

G

V

G

L

F

N

A

Q

G

T

A

P

P

Y
|
Y

V

T

A

V

S

A

K
|
K

H

H

A

G

V

L

S

I

G

G

M

L

T

T

K

R

N

S

A

I

A

A

I

A

E

H

Y

Y

G

G

K

D

D

Q

G

G

I

I

L

R

T

A

N

V

A

A

I

V

A

L

P
|
P

G

G

A

T

I
x
V

L

K

T
|
T

P

-

M

-

V

-

A

-

E

-

A

-

F

-

K

-

Q

-

V

-

N
|
N

P
x
I

D

G

D

L

P

G

K

S

A

S

A

K

E

P

A
x
S

E

E

Y

L

A

G

Q

M

R

R

N

T

P

L

T

T

R

K

A

L

-

M

-

S

-

L

-

S

-

R

L

L

G

A

D

E

P

P

K

E

D

D

V

I

G

A

K

N

L

V

V

I

S

V

F

F

L

L

I

A

S

S

D

D

E

E

N

A

G

S

Y

F

V

V

N

N

G

G

Q

D

T

A

I

V

A

V

I

V

D

D

G

G

E

L

S

T

N

V

L

L

active site: G18 (= G17), S144 (= S145), Y157 (= Y158), K161 (= K162), S202 (≠ A213)
binding nicotinamide-adenine-dinucleotide: G14 (= G13), S17 (≠ M16), G18 (= G17), I19 (≠ L18), E38 (≠ D37), L39 (≠ Y38), R43 (≠ A42), A63 (= A64), D64 (= D65), V65 (= V66), N91 (= N92), G93 (= G94), I94 (= I95), T142 (≠ V143), S144 (= S145), Y157 (= Y158), K161 (= K162), P187 (= P188), V190 (≠ I191), T192 (= T193), N193 (= N204), I194 (≠ P205)

5b4tA Crystal structure of d-3-hydroxybutyrate dehydrogenase from alcaligenes faecalis complexed with NAD+ and a substrate d-3- hydroxybutyrate (see paper)
35% identity, 97% coverage: 4:257/263 of query aligns to 2:258/260 of 5b4tA

query
sites
5b4tA

M

L

K

K

N

G

K

K

V

K

I

A

I

V

T

T

G
|
G

A

S

A
x
T

M

S

G
|
G

L
x
I

G

G

F

L

A

A

A

M

A

A

E

T

E

E

L

L

A

A

S

K

K

A

G

G

A

A

K

D

L

V

V

V

L

I

V

N

D

G

Y
x
F

N

G

E

Q

D

P

A

E

L

D

K

I

D

E

A

R

L

E

E

R

K

S

L

T

S

L

S

E

N

S

N

K

N

F

G

G

L

V

D

K

A

A

I

Y

S

Y

I

L

K

N

A

A

D
|
D

V
x
L

S

S

D

D

E

A

E

Q

Q

A

V

T

K

R

N

D

Y

F

V

I

N

A

K

K

T

A

V

A

E

E

K

A

Y

L

G

G

R

G

I

L

D

D

G

I

F

L

Y

V

N

N

N
|
N

A

A

G
|
G

I

I

E
x
Q

G

-

R

H

Q

T

A

A

P

P

L

I

T

E

E

E

Y

F

D

P

I

V

D

D

I

K

F

W

K

N

K

A

V

I

I

I

D

A

I
x
L

N
|
N

L

L

M

S

G

A

V

V

Y

F

Y

H

G

G

M

T

R

A

Y

A

V

A

I

L

P

P

V

I

M

M

Q

Q

K

K

Q

Q

K

G

Y

W

G

G

R

R

I

I

V

I

N

N

V
x
I

A

A

S
|
S

V

A

G
x
H

G

G

I

L

R

V

G

A

V

S

L

V

N

N

Q
x
K

T

S

P

A

Y
|
Y

V

V

A

A

S

A

K
|
K

H

H

A

G

V

V

S

V

G

G

M

L

T

T

K

K

N

V

A

T

A

A

I

L

E

E

Y

N

G

A

K

G

D

K

G

G

I

I

L

T

T

C

N

N

A

A

I

I

A

C

P
|
P

G
|
G

A
x
W

I
x
V

L

R

T
|
T

P

P

M
x
L

V
|
V

A

E

-

K

-
x
Q

-

I

E

E

A

A

F
x
I

K

S

Q

Q

V

Q

N

K

P

G

D

I

D

D

P

I

K

E

A

A

E

A

A

R

E

E

-

L

Y

L

A

A

Q

E

R

K

N

Q

P

P

T

S

R

L

A

Q

L

F

G

V

D

T

P

P

K

E

D

Q

V

L

G

G

K

G

L

A

V

A

S

V

F

F

L

L

I

S

S

S

D

A

E

A

N

A

G

D

Y

Q

V

M

N

T

G

G

Q

T

T

T

I

L

A

S

I

L

D

D

G

G

E

W

S

T

active site: G15 (= G17), N114 (= N117), S142 (= S145), Y155 (= Y158), K159 (= K162), I200 (≠ F200)
binding (3R)-3-hydroxybutanoic acid: Q94 (≠ E96), S142 (= S145), H144 (≠ G147), K152 (≠ Q155), Y155 (= Y158), W187 (≠ A190), Q196 (vs. gap)
binding nicotinamide-adenine-dinucleotide: G11 (= G13), T13 (≠ A15), G15 (= G17), I16 (≠ L18), F36 (≠ Y38), D63 (= D65), L64 (≠ V66), N90 (= N92), G92 (= G94), L113 (≠ I116), I140 (≠ V143), Y155 (= Y158), K159 (= K162), P185 (= P188), G186 (= G189), W187 (≠ A190), V188 (≠ I191), T190 (= T193), L192 (≠ M195), V193 (= V196)

3w8dA Crystal structure of d-3-hydroxybutyrate dehydrogenase from alcaligenes faecalis complexed with NAD+ and an inhibitor methylmalonate
35% identity, 97% coverage: 4:257/263 of query aligns to 2:258/260 of 3w8dA

query
sites
3w8dA

M

L

K

K

N

G

K

K

V

K

I

A

I

V

T

T

G
|
G

A

S

A
x
T

M
x
S

G
|
G

L
x
I

G

G

F

L

A

A

A

M

A

A

E

T

E

E

L

L

A

A

S

K

K

A

G

G

A

A

K

D

L

V

V

V

L

I

V

N

D

G

Y
x
F

N

G

E

Q

D

P

A

E

L

D

K

I

D

E

A

R

L

E

E

R

K

S

L

T

S

L

S

E

N

S

N

K

N

F

G

G

L

V

D

K

A

A

I

Y

S

Y

I

L

K

N

A
|
A

D
|
D

V
x
L

S

S

D

D

E

A

E

Q

Q

A

V

T

K

R

N

D

Y

F

V

I

N

A

K

K

T

A

V

A

E

E

K

A

Y

L

G

G

R

G

I

L

D

D

G

I

F

L

Y

V

N

N

N
|
N

A
|
A

G
|
G

I

I

E
x
Q

G

-

R

H

Q

T

A

A

P

P

L

I

T

E

E

E

Y

F

D

P

I

V

D

D

I

K

F

W

K

N

K

A

V

I

I

I

D

A

I
x
L

N
|
N

L

L

M

S

G

A

V

V

Y

F

Y

H

G

G

M

T

R

A

Y

A

V

A

I

L

P

P

V

I

M

M

Q

Q

K

K

Q

Q

K

G

Y

W

G

G

R

R

I

I

V

I

N

N

V

I

A

A

S
|
S

V

A

G
x
H

G

G

I

L

R

V

G

A

V

S

L

V

N

N

Q
x
K

T

S

P

A

Y
|
Y

V

V

A

A

S

A

K
|
K

H

H

A

G

V

V

S

V

G

G

M

L

T

T

K

K

N

V

A

T

A

A

I

L

E

E

Y

N

G

A

K

G

D

K

G

G

I

I

L

T

T

C

N

N

A

A

I

I

A

C

P
|
P

G
|
G

A
x
W

I
x
V

L

R

T
|
T

P

P

M
x
L

V
|
V

A

E

-

K

-
x
Q

-

I

E

E

A

A

F
x
I

K

S

Q

Q

V

Q

N

K

P

G

D

I

D

D

P

I

K

E

A

A

E

A

A

R

E

E

-

L

Y

L

A

A

Q

E

R

K

N

Q

P

P

T

S

R

L

A

Q

L

F

G

V

D

T

P

P

K

E

D

Q

V

L

G

G

K

G

L

A

V

A

S

V

F

F

L

L

I

S

S

S

D

A

E

A

N

A

G

D

Y

Q

V

M

N

T

G

G

Q

T

T

T

I

L

A

S

I

L

D

D

G

G

E
x
W

S

T

active site: G15 (= G17), N114 (= N117), S142 (= S145), Y155 (= Y158), K159 (= K162), I200 (≠ F200)
binding methylmalonic acid: Q94 (≠ E96), S142 (= S145), H144 (≠ G147), K152 (≠ Q155), Y155 (= Y158), W187 (≠ A190), Q196 (vs. gap), W257 (≠ E256)
binding nicotinamide-adenine-dinucleotide: G11 (= G13), T13 (≠ A15), S14 (≠ M16), G15 (= G17), I16 (≠ L18), F36 (≠ Y38), A62 (= A64), D63 (= D65), L64 (≠ V66), N90 (= N92), A91 (= A93), G92 (= G94), L113 (≠ I116), S142 (= S145), Y155 (= Y158), K159 (= K162), P185 (= P188), G186 (= G189), W187 (≠ A190), V188 (≠ I191), T190 (= T193), L192 (≠ M195), V193 (= V196)

3vdrA Crystal structure of d-3-hydroxybutyrate dehydrogenase, prepared in the presence of the substrate d-3-hydroxybutyrate and NAD(+) (see paper)
35% identity, 97% coverage: 4:257/263 of query aligns to 2:258/260 of 3vdrA

query
sites
3vdrA

M

L

K

K

N

G

K

K

V

K

I

A

I

V

T

T

G
|
G

A

S

A
x
T

M

S

G
|
G

L
x
I

G

G

F

L

A

A

A

M

A

A

E

T

E

E

L

L

A

A

S

K

K

A

G

G

A

A

K

D

L

V

V

V

L

I

V

N

D

G

Y
x
F

N

G

E

Q

D

P

A

E

L

D

K

I

D

E

A

R

L

E

E

R

K

S

L

T

S

L

S

E

N

S

N

K

N

F

G

G

L

V

D

K

A

A

I

Y

S

Y

I

L

K

N

A

A

D
|
D

V
x
L

S

S

D

D

E

A

E

Q

Q

A

V

T

K

R

N

D

Y

F

V

I

N

A

K

K

T

A

V

A

E

E

K

A

Y

L

G

G

R

G

I

L

D

D

G

I

F

L

Y

V

N

N

N
|
N

A
|
A

G
|
G

I

I

E
x
Q

G

-

R

H

Q

T

A

A

P

P

L

I

T

E

E

E

Y

F

D

P

I

V

D

D

I

K

F

W

K

N

K

A

V

I

I

I

D

A

I
x
L

N
|
N

L

L

M

S

G

A

V

V

Y

F

Y

H

G

G

M

T

R

A

Y

A

V

A

I

L

P

P

V

I

M

M

Q

Q

K

K

Q

Q

K

G

Y

W

G

G

R

R

I

I

V

I

N

N

V

I

A

A

S
|
S

V

A

G
x
H

G

G

I

L

R

V

G

A

V

S

L

V

N

N

Q
x
K

T

S

P

A

Y
|
Y

V

V

A

A

S

A

K
|
K

H

H

A

G

V

V

S

V

G

G

M

L

T

T

K

K

N

V

A

T

A

A

I

L

E

E

Y

N

G

A

K

G

D

K

G

G

I

I

L

T

T

C

N

N

A

A

I

I

A

C

P

P

G
|
G

A
x
W

I
x
V

L

R

T
|
T

P

P

M
x
L

V
|
V

A

E

-

K

-
x
Q

-

I

E

E

A

A

F
x
I

K

S

Q

Q

V

Q

N

K

P

G

D

I

D

D

P

I

K

E

A

A

E

A

A

R

E

E

-

L

Y

L

A

A

Q

E

R

K

N

Q

P

P

T

S

R

L

A

Q

L

F

G

V

D

T

P

P

K

E

D

Q

V

L

G

G

K

G

L

A

V

A

S

V

F

F

L

L

I

S

S

S

D

A

E

A

N

A

G

D

Y

Q

V

M

N

T

G

G

Q

T

T

T

I

L

A

S

I

L

D

D

G

G

E
x
W

S

T

active site: G15 (= G17), N114 (= N117), S142 (= S145), Y155 (= Y158), K159 (= K162), I200 (≠ F200)
binding (3R)-3-hydroxybutanoic acid: Q94 (≠ E96), H144 (≠ G147), K152 (≠ Q155), Y155 (= Y158), W187 (≠ A190), Q196 (vs. gap), W257 (≠ E256)
binding acetoacetic acid: Q94 (≠ E96), H144 (≠ G147), K152 (≠ Q155), Y155 (= Y158), W187 (≠ A190), Q196 (vs. gap), W257 (≠ E256)
binding nicotinamide-adenine-dinucleotide: G11 (= G13), T13 (≠ A15), I16 (≠ L18), F36 (≠ Y38), D63 (= D65), L64 (≠ V66), N90 (= N92), A91 (= A93), G92 (= G94), L113 (≠ I116), K159 (= K162), G186 (= G189), V188 (≠ I191), T190 (= T193), L192 (≠ M195), V193 (= V196)
binding 1,4-dihydronicotinamide adenine dinucleotide: G11 (= G13), T13 (≠ A15), I16 (≠ L18), F36 (≠ Y38), D63 (= D65), L64 (≠ V66), N90 (= N92), A91 (= A93), G92 (= G94), L113 (≠ I116), S142 (= S145), Y155 (= Y158), K159 (= K162), G186 (= G189), V188 (≠ I191), T190 (= T193), L192 (≠ M195), V193 (= V196)

3vdqA Crystal structure of alcaligenes faecalis d-3-hydroxybutyrate dehydrogenase in complex with NAD(+) and acetate (see paper)
35% identity, 97% coverage: 4:257/263 of query aligns to 2:258/260 of 3vdqA

query
sites
3vdqA

M

L

K

K

N

G

K

K

V

K

I

A

I

V

T

T

G
|
G

A

S

A

T

M
x
S

G
|
G

L
x
I

G

G

F

L

A

A

A

M

A

A

E

T

E

E

L

L

A

A

S

K

K

A

G

G

A

A

K

D

L

V

V

V

L

I

V

N

D

G

Y
x
F

N

G

E

Q

D

P

A

E

L

D

K

I

D

E

A

R

L

E

E

R

K

S

L

T

S

L

S

E

N

S

N

K

N

F

G

G

L

V

D

K

A

A

I

Y

S

Y

I

L

K

N

A

A

D
|
D

V
x
L

S

S

D

D

E

A

E

Q

Q

A

V

T

K

R

N

D

Y

F

V

I

N

A

K

K

T

A

V

A

E

E

K

A

Y

L

G

G

R

G

I

L

D

D

G

I

F

L

Y

V

N

N

N
|
N

A
|
A

G
|
G

I

I

E
x
Q

G

-

R

H

Q

T

A

A

P

P

L

I

T

E

E

E

Y

F

D

P

I

V

D

D

I

K

F

W

K

N

K

A

V

I

I

I

D

A

I
x
L

N
|
N

L

L

M

S

G

A

V

V

Y

F

Y

H

G

G

M

T

R

A

Y

A

V

A

I

L

P

P

V

I

M

M

Q

Q

K

K

Q

Q

K

G

Y

W

G

G

R

R

I

I

V

I

N

N

V
x
I

A

A

S
|
S

V

A

G
x
H

G

G

I

L

R

V

G

A

V

S

L

V

N

N

Q
x
K

T

S

P

A

Y
|
Y

V

V

A

A

S

A

K
|
K

H

H

A

G

V

V

S

V

G

G

M

L

T

T

K

K

N

V

A

T

A

A

I

L

E

E

Y

N

G

A

K

G

D

K

G

G

I

I

L

T

T

C

N

N

A

A

I

I

A

C

P
|
P

G
|
G

A
x
W

I
x
V

L

R

T
|
T

P

P

M
x
L

V
|
V

A

E

-

K

-
x
Q

-

I

E

E

A

A

F
x
I

K

S

Q

Q

V

Q

N

K

P

G

D

I

D

D

P

I

K

E

A

A

E

A

A

R

E

E

-

L

Y

L

A

A

Q

E

R

K

N

Q

P

P

T

S

R

L

A

Q

L

F

G

V

D

T

P

P

K

E

D

Q

V

L

G

G

K

G

L

A

V

A

S

V

F

F

L

L

I

S

S

S

D

A

E

A

N

A

G

D

Y

Q

V

M

N

T

G

G

Q

T

T

T

I

L

A

S

I

L

D

D

G

G

E

W

S

T

active site: G15 (= G17), N114 (= N117), S142 (= S145), Y155 (= Y158), K159 (= K162), I200 (≠ F200)
binding acetate ion: Q94 (≠ E96), H144 (≠ G147), K152 (≠ Q155), W187 (≠ A190), L192 (≠ M195), Q196 (vs. gap)
binding nicotinamide-adenine-dinucleotide: G11 (= G13), S14 (≠ M16), I16 (≠ L18), F36 (≠ Y38), D63 (= D65), L64 (≠ V66), N90 (= N92), A91 (= A93), G92 (= G94), L113 (≠ I116), I140 (≠ V143), S142 (= S145), Y155 (= Y158), K159 (= K162), P185 (= P188), G186 (= G189), W187 (≠ A190), V188 (≠ I191), T190 (= T193), L192 (≠ M195), V193 (= V196)

2q2qD Structure of d-3-hydroxybutyrate dehydrogenase from pseudomonas putida (see paper)
35% identity, 96% coverage: 3:255/263 of query aligns to 1:251/255 of 2q2qD

query
sites
2q2qD

T

T

M

L

K

K

N

G

K

K

V

T

I

A

I

L

I

V

T

T

G
|
G

A

S

A
x
T

M
x
S

G
|
G

L
x
I

G

G

F

L

A

G

A

I

A

A

E

Q

E

V

L

L

A

A

S

R

K

A

G

G

A

A

K

N

L

I

V

V

L

L

V

N

D

G

Y
x
F

N

G

E

D

D

P

A

A

L

-

K

-

D

P

A

A

L

L

E

A

K

E

L

I

S

A

S

-

N

-

N

R

N

H

G

G

L

V

D

K

A

A

I

V

S

H

I

H

K

P

A

A

D
|
D

V
x
L

S

S

D

D

E

V

E

A

Q

Q

V

I

K

E

N

A

Y

L

V

F

N

A

K

L

T

A

V

E

E

R

K

E

Y

F

G

G

R

G

I

V

D

D

G

I

F

L

Y

V

N

N

N
|
N

A

A

G
|
G

I

I

E

Q

G

-

R

H

Q

V

A

A

P

P

L

V

T

E

E

Q

Y

F

D

P

I

L

D

E

I

S

F

W

K

D

K

K

V

I

I

I

D

A

I
x
L

N

N

L

L

M

S

G

A

V

V

Y

F

Y

H

G

G

M

T

R

R

Y

L

V

A

I

L

P

P

V

G

M

M

Q

R

K

A

Q

R

K

N

Y

W

G

G

R

R

I

I

V

I

N

N

V
x
I

A

A

S
|
S

V

V

G

H

G

G

I

L

R

V

G

G

V

S

L

T

N

G

Q

K

T

A

P

A

Y
|
Y

V

V

A

A

S

A

K
|
K

H

H

A

G

V

V

S

V

G

G

M

L

T

T

K

K

N

V

A

V

A

G

I

L

E

E

Y

T

G

A

K

T

D

S

G

N

I

V

L

T

T

C

N

N

A

A

I

I

A

C

P
|
P

G
|
G

A
x
W

I
x
V

L

L

T
|
T

P

P

M
x
L

V
|
V

A

Q

E

K

A

Q

F

I

-

D

K
x
R

Q

A

V

A

N

N

P

G

D

G

D

D

P

P

K

L

A

Q

A

A

E

Q

A

H

E

D

-

L

Y

L

A

A

Q

E

R

K

N

Q

P

P

T

S

R

L

A

A

L

F

G

V

D

T

P

P

K

E

D

H

V

L

G

G

K

E

L

L

V

V

S

L

F

F

L

L

I

C

S

S

D

E

E

A

N

G

G

S

Y

Q

V

V

N

R

G

G

Q

A

T

A

I

W

A

N

I

V

D

D

G

G

active site: G15 (= G17), S138 (= S145), Y151 (= Y158), K155 (= K162), R196 (≠ K201)
binding nicotinamide-adenine-dinucleotide: G11 (= G13), T13 (≠ A15), S14 (≠ M16), G15 (= G17), I16 (≠ L18), F36 (≠ Y38), D59 (= D65), L60 (≠ V66), N86 (= N92), G88 (= G94), L109 (≠ I116), I136 (≠ V143), S138 (= S145), Y151 (= Y158), K155 (= K162), P181 (= P188), G182 (= G189), W183 (≠ A190), V184 (≠ I191), T186 (= T193), L188 (≠ M195), V189 (= V196)

6qheA Alcohol dehydrogenase from arthrobacter sp. Ts-15 in complex with NAD+
38% identity, 97% coverage: 1:254/263 of query aligns to 2:252/261 of 6qheA

query
sites
6qheA

M

M

I

I

T

N

M

M

K

R

N

N

K

R

V

V

I

A

I

I

I

V

T

T

G
|
G

A

G

A

A

M
|
M

G
|
G

L
x
M

G

G

F

N

A

G

A

C

A

A

E

R

E

K

L

L

A

A

S

E

K

A

G

G

A

A

K

K

L

V

V

Y

L

L

V

I

D
|
D

Y
x
R

N

S

E

N

-

L

-

V

-

A

D

A

A

A

L

A

K

Q

D

D

A

M

L

R

E

E

K

A

L

-

S

-

N

-

G

G

L

L

D

N

A

A

I

N

S

H

I

V

K

Q

A

V

D
|
D

V
x
I

S

T

D

D

E

Q

E

E

Q

S

V

L

K

T

N

S

Y

A

V

Y

N

D

K

G

T

I

V

A

E

A

K

E

Y

S

G

G

R

R

I

L

D

D

G

V

F

L

Y

V

N

N

N
x
A

A
|
A

G

G

I

V

E

-

G

G

R

D

Q

S

A

R

P

M

L

F

T

L

E

D

Y

V

D

D

I

D

D

A

I

H

F

Y

K

K

V

V

I

I

D

D

I

V

N

N

L

V

M

R

G

G

V

T

Y

W

Y

N

G

S

M

C

R

R

Y

A

V

A

I

V

P

P

V

H

M

M

Q

L

K

S

Q

N

K

K

Y

H

G

G

R

R

I

I

V

I

N

N

V

F

A

G

S
|
S

V

I

G

S

G

G

-

P

I

I

R

V

G

A

V

D

L

P

N

G

Q

W

T

T

P

V

Y
|
Y

V

A

A

L

S

S

K
|
K

H

G

A

A

V

I

S

F

G

G

M

F

T

T

K

K

N

A

A

L

A

A

I

S

E

E

Y

F

G

A

K

G

D

Q

G

N

I

I

L

L

T

V

N

N

A

A

I

I

A

L

P
|
P

G
|
G

A

S

I
x
M

L

D

T
|
T

P
|
P

M
|
M

V

M

A

R

E

A

A

A

F

A

K

A

Q

D

V

T

N

N

P

P

D

A

D

D

P

P

K

Q

A

S

A

V

E

I

A

D

E

E

Y

I

A

A

Q

A

R

A

N

V

P

P

T

L

R

K

A

R

L

L

G

G

D

T

P

I

K

D

D

D

V

A

G

G

K

N

L

L

V

A

S

L

F

F

L

L

I

A

S

S

D

D

E

L

N

A

G

S

Y

Y

V

L

N

T

G

G

Q

Q

T

A

I

I

A

V

I

L

D

D

G

G

binding nicotinamide-adenine-dinucleotide: G14 (= G13), M17 (= M16), G18 (= G17), M19 (≠ L18), D38 (= D37), R39 (≠ Y38), D63 (= D65), I64 (≠ V66), A90 (≠ N92), A91 (= A93), S142 (= S145), Y156 (= Y158), K160 (= K162), P186 (= P188), G187 (= G189), M189 (≠ I191), T191 (= T193), P192 (= P194), M193 (= M195)

8y83A Crystal structure of a ketoreductase from sphingobacterium siyangense sy1 with co-enzyme (see paper)
38% identity, 97% coverage: 1:255/263 of query aligns to 1:245/249 of 8y83A

query
sites
8y83A

M

M

I

K

T

I

M

L

K

A

N

D

K

K

V

V

I

A

I

L

I

V

T

T

G
|
G

A

S

A

G

M
x
S

G
|
G

L
x
I

G

G

F

L

A

A

A

V

A

A

E

L

E

A

L

Y

A

G

S

K

K

E

G

G

A

A

K

K

L

V

V

V

L

I

V

S

D
|
D

Y
x
I

N

N

E

E

D

Q

A

A

L

G

K

N

D

E

A

T

L

V

E

K

K

Q

L

I

S

E

S

S

N

L

N

-

G

G

L

G

D

E

A

A

I

V

S

F

I

F

K

K

A
|
A

D
|
D

V
x
S

S

S

D

S

E

P

E

A

Q

D

V

N

K

E

N

A

Y

L

V

V

N

G

K

Y

T

A

V

V

E

K

K

T

Y

F

G

G

R

R

I

L

D

D

G

I

F

A

Y

C

N

N

N
|
N

A

A

G

G

I

I

E

G

G

G

R

E

Q

A

A

A

P

L

L

T

T

G

E

D

Y

Y

D

S

I

L

D

D

I

G

F

W

K

K

V

V

I

I

D

D

I

I

N

N

L

F

M

N

G

G

V

V

Y

F

Y

Y

G

G

M

C

R

K

Y

Y

V

Q

I

I

P

E

V

A

M

M

Q

E

K

R

Q

N

K

G

Y

G

G

G

R

V

I

I

V

V

N

N

V
x
M

A

A

S

S

V

I

G

H

G

G

I

T

R

V

G

A

V

A

L

P

N

M

Q

S

T

S

P

A

Y
|
Y

V

T

A

S

S

A

K
|
K

H

H

A

A

V

V

S

V

G

G

M

L

T

T

K

K

N

N

A

I

A

G

I

A

E

E

Y

Y

G

G

K

Q

D

K

G

N

I

I

L

R

T

C

N

N

A

A

I

V

A

G

P
|
P

G
|
G

A
x
Y

I
|
I

L

D

T

T

P

P

M
x
L

V

L

A

A

E

K

A

L

F

D

K

K

Q

E

-

H

V

I

N

N

P

A

D

-

P

-

K

-

A

-

E

-

A

-

E

-

Y

L

A

I

Q

S

R

K

N

H

P

P

T

I

R

G

A

R

L

L

G

G

D

K

P

A

K

E

D

E

V

V

G

A

K

E

L

L

V

V

S

L

F

F

L

L

I

S

S

S

D

D

E

K

N

S

G

S

Y

F

V

M

N

T

G

G

Q

G

T

Y

I

Y

A

L

I

V

D

D

G

G

binding nicotinamide-adenine-dinucleotide: G13 (= G13), S16 (≠ M16), G17 (= G17), I18 (≠ L18), D37 (= D37), I38 (≠ Y38), A62 (= A64), D63 (= D65), S64 (≠ V66), N90 (= N92), M141 (≠ V143), Y156 (= Y158), K160 (= K162), P186 (= P188), G187 (= G189), Y188 (≠ A190), I189 (= I191), L193 (≠ M195)

2ztlA Closed conformation of d-3-hydroxybutyrate dehydrogenase complexed with NAD+ and l-3-hydroxybutyrate (see paper)
33% identity, 97% coverage: 4:257/263 of query aligns to 2:258/260 of 2ztlA

query
sites
2ztlA

M

L

K

K

N

G

K

K

V

V

I

A

I

V

T

T

G
|
G

A

S

A

T

M

S

G
|
G

L
x
I

G

G

F

L

A

G

A

I

A

A

E

T

E

A

L

L

A

A

S

A

K

Q

G

G

A

A

K

D

L

I

V

V

L

L

V

N

D

G

Y
x
F

N

G

E

D

D

A

A

A

L

E

K

I

D

E

A

K

L

V

E

R

K

A

L

G

S

L

S

A

N

A

N

Q

N

H

G

G

L

V

D

K

A

V

I

L

S

Y

I

D

K

G

A

A

D

D

V
x
L

S

S

D

K

E

G

E

E

Q

A

V

V

K

R

N

G

Y

L

V

V

N

D

K

N

T

A

V

V

E

R

K

Q

Y

M

G

G

R

R

I

I

D

D

G

I

F

L

Y

V

N

N

N
|
N

A
|
A

G
|
G

I

I

E
x
Q

G

-

R

H

Q

T

A

A

P

L

L

I

T

E

E

D

Y

F

D

P

I

T

D

E

I

K

F

W

K

D

K

A

V

I

I

L

D

A

I
x
L

N
|
N

L

L

M

S

G

A

V

V

Y

F

Y

H

G

G

M

T

R

A

Y

A

V

A

I

L

P

P

V

H

M

M

Q

K

K

K

Q

Q

K

G

Y

F

G

G

R

R

I

I

V

I

N

N

V

I

A

A

S
|
S

V

A

G
x
H

G

G

I

L

R

V

G

A

V

S

L

A

N

N

Q
x
K

T

S

P

A

Y
|
Y

V

V

A

A

S

A

K
|
K

H

H

A

G

V

V

S

V

G

G

M

F

T

T

K

K

N

V

A

T

A

A

I

L

E

E

Y

T

G

A

K

G

D

Q

G

G

I

I

L

T

T

A

N

N

A

A

I

I

A

C

P
|
P

G

G

A
x
W

I
x
V

L

R

T
|
T

P

P

M

L

V
|
V

A

E

E

-

A

-

F

-

K

K

Q
|
Q

V

I

N

S

P

A

-
x
L

-

A

-

E

-

K

-

N

-

G

-

V

D

D

D

Q

P

E

K

T

A

A

E

R

A

E

E

L

Y

L

A

S

Q

E

R

K

N

Q

P

P

T

S

R

L

A

Q

L

F

G

V

D

T

P

P

K

E

D

Q

V

L

G

G

K

G

L

T

V

A

S

V

F

F

L

L

I

A

S

S

D

D

E

A

N

A

G

A

Y

Q

V

I

N

T

G

G

Q

T

T

T

I

V

A

S

I

V

D

D

G

G

E

W

S

T

active site: G15 (= G17), N114 (= N117), S142 (= S145), Y155 (= Y158), K159 (= K162), L200 (vs. gap)
binding (3s)-3-hydroxybutanoic acid: Q94 (≠ E96), S142 (= S145), H144 (≠ G147), K152 (≠ Q155), Y155 (= Y158), Q196 (= Q202)
binding nicotinamide-adenine-dinucleotide: G11 (= G13), G15 (= G17), I16 (≠ L18), F36 (≠ Y38), L64 (≠ V66), N90 (= N92), A91 (= A93), G92 (= G94), L113 (≠ I116), Y155 (= Y158), K159 (= K162), P185 (= P188), W187 (≠ A190), V188 (≠ I191), T190 (= T193), V193 (= V196)

1wmbA Crystal structure of NAD dependent d-3-hydroxybutylate dehydrogenase (see paper)
33% identity, 97% coverage: 4:257/263 of query aligns to 2:258/260 of 1wmbA

query
sites
1wmbA

M

L

K

K

N

G

K

K

V

V

I

A

I

V

T

T

G

G

A

S

A

T

M

S

G
|
G

L

I

G

G

F

L

A

G

A

I

A

A

E

T

E

A

L

L

A

A

S

A

K

Q

G

G

A

A

K

D

L

I

V

V

L

L

V

N

D

G

Y

F

N

G

E

D

D

A

A

A

L

E

K

I

D

E

A

K

L

V

E

R

K

A

L

G

S

L

S

A

N

A

N

Q

N

H

G

G

L

V

D

K

A

V

I

L

S

Y

I

D

K

G

A

A

D

D

V

L

S

S

D

K

E

G

E

E

Q

A

V

V

K

R

N

G

Y

L

V

V

N

D

K

N

T

A

V

V

E

R

K

Q

Y

M

G

G

R

R

I

I

D

D

G

I

F

L

Y

V

N

N

A

A

G

G

I

I

E

Q

G

-

R

H

Q

T

A

A

P

L

L

I

T

E

E

D

Y

F

D

P

I

T

D

E

I

K

F

W

K

D

K

A

V

I

I

L

D

A

I

L

N
|
N

L

L

M

S

G

A

V

V

Y

F

Y

H

G

G

M

T

R

A

Y

A

V

A

I

L

P

P

V

H

M

M

Q

K

K

K

Q

Q

K

G

Y

F

G

G

R

R

I

I

V

I

N

N

V

I

A

A

S
|
S

V

A

G

H

G

G

I

L

R

V

G

A

V

S

L

A

N

N

Q

K

T

S

P

A

Y
|
Y

V

V

A

A

S

A

K
|
K

H

H

A

G

V

V

S

V

G

G

M

F

T

T

K

K

N

V

A

T

A

A

I

L

E

E

Y

T

G

A

K

G

D

Q

G

G

I

I

L

T

T

A

N

N

A

A

I

I

A

C

P

P

G

G

A

W

I

V

L

R

T

T

P

P

M

L

V

V

A

E

E

-

A

-

F

-

K

K

Q

Q

V

I

N

S

P

A

-
x
L

-

A

-

E

-

K

-

N

-

G

-

V

D

D

D

Q

P

E

K

T

A

A

E

R

A

E

E

L

Y

L

A

S

Q

E

R

K

N

Q

P

P

T

S

R

L

A

Q

L

F

G

V

D

T

P

P

K

E

D

Q

V

L

G

G

K

G

L

T

V

A

S

V

F

F

L

L

I

A

S

S

D

D

E

A

N

A

G

A

Y

Q

V

I

N

T

G

G

Q

T

T

T

I

V

A

S

I

V

D

D

G

G

E
x
W

S

T

active site: G15 (= G17), N114 (= N117), S142 (= S145), Y155 (= Y158), K159 (= K162), L200 (vs. gap)
binding cacodylate ion: S142 (= S145), Y155 (= Y158), W257 (≠ E256)

7pcsB Structure of the heterotetrameric sdr family member bbscd (see paper)
36% identity, 98% coverage: 4:261/263 of query aligns to 2:247/247 of 7pcsB

query
sites
7pcsB

M

I

K

Q

N

N

K

R

V

V

I

A

I

L

I

I

T

T

G
|
G

A

S

A

A

M

S

G

G

L
x
M

G

G

F

K

A

Q

A

T

A

A

E

L

E

R

L

F

A

A

S

E

K

Q

G

G

A

A

K

A

L

V

V

V

L

I

V

N

D
|
D

Y
x
I

N

D

E

A

D

E

A

K

L

V

K

R

D

A

A

T

L

V

E

D

K

E

L

F

S

S

S

A

N

R

N

-

G

G

L

H

D

R

A

V

I

L

S

G

I

A

K

V

A

A

D

D

V
x
I

S

G

D

N

E

K

E

A

Q

A

V

V

K

D

N

G

Y

M

V

V

N

K

K

Q

T

T

V

I

E

D

K

A

Y

F

G

G

R

R

I

I

D

D

G

I

F

L

Y

V

N

N

N
|
N

A

A

G
|
G

I

M

E

E

-

R

-

A

G

G

R

A

Q

L

A

R

P

K

L

L

T

S

E

E

Y

A

D

D

I

W

D

D

I

V

F

-

K

-

V

T

I

I

D

N

I

V

N

N

L

L

M

K

G

G

V

T

Y

F

Y

L

G

C

M

T

R

Q

Y

A

V

V

I

H

P

G

V

H

M

M

Q

V

K

E

Q

N

K

K

Y

H

G

G

R

R

I

I

V

V

N

N

V
x
I

A

A

S
|
S

V

R

G

A

G

W

I

L

R

G

G

G

V

A

L

-

N

G

Q

Q

T

T

P

P

Y
|
Y

V

S

A

S

S

A

K
|
K

H

A

A

G

V

V

S

V

G

G

M

M

T

T

K

R

N

A

A

L

A

A

I

I

E

E

Y

L

G

G

K

R

D

A

G

G

I

I

L

T

T

V

N

N

A

C

I

V

A

A

P

P

G

G

A

L

I
|
I

L

H

T

T

P

P

M

M

V

W

A

D

E

E

A

L

F

-

K

-

Q

-

V

-

N

-

P

-

D

-

P

P

K

E

A

K

A

D

E

Q

A

Q

E

F

Y

L

A

L

Q

S

R

R

N

Q

P

P

T

T

R

G

A

K

L

L

G

G

D

E

P

P

K

D

D

D

V

I

G

A

K

N

L

T

V

L

S

L

F

F

L

L

I

A

S

D

D

D

E

D

N

S

G

G

Y

F

V

V

N

T

G

G

Q

Q

T

V

I

L

A

Y

I

V

D

C

G

G

E

R

S

S

N

L

L

F

Y

A

G

G

binding nicotinamide-adenine-dinucleotide: G11 (= G13), M16 (≠ L18), D35 (= D37), I36 (≠ Y38), I62 (≠ V66), N88 (= N92), G90 (= G94), I138 (≠ V143), S140 (= S145), Y152 (= Y158), K156 (= K162), I185 (= I191)

Q9KJF1 (2S)-[(R)-hydroxy(phenyl)methyl]succinyl-CoA dehydrogenase subunit BbsD; (S,R)-2-(alpha-hydroxybenzyl)succinyl-CoA dehydrogenase subunit BbsD; EC 1.1.1.429 from Thauera aromatica (see 2 papers)
36% identity, 98% coverage: 4:261/263 of query aligns to 3:248/248 of Q9KJF1

query
sites
Q9KJF1

M

I

K

Q

N

N

K

R

V

V

I

A

I

L

I

I

T

T

G

G

A

S

A

A

M
x
S

G

G

L

M

G

G

F

K

A

Q

A

T

A

A

E

L

E

R

L

F

A

A

S

E

K

Q

G

G

A

A

K

A

L

V

V

V

L

I

V

N

D
|
D

Y

I

N

D

E

A

D

E

A

K

L

V

K

R

D

A

A

T

L

V

E

D

K

E

L

F

S

S

S

A

N

R

N

-

G

G

L

H

D

R

A

V

I

L

S

G

I

A

K

V

A

A

D
|
D

V
x
I

S

G

D

N

E

K

E

A

Q

A

V

V

K

D

N

G

Y

M

V

V

N

K

K

Q

T

T

V

I

E

D

K

A

Y

F

G

G

R

R

I

I

D

D

G

I

F

L

Y

V

N

N

N
|
N

A

A

G

G

I

M

E

E

-

R

-

A

G

G

R

A

Q

L

A

R

P

K

L

L

T

S

E

E

Y

A

D

D

I

W

D

D

I

V

F

-

K

-

V

T

I

I

D

N

I

V

N

N

L

L

M

K

G

G

V

T

Y

F

Y

L

G

C

M

T

R

Q

Y

A

V

V

I

H

P

G

V

H

M

M

Q

V

K

E

Q

N

K

K

Y

H

G

G

R

R

I

I

V

V

N

N

V

I

A

A

S

S

V

R

G

A

G

W

I

L

R

G

G

G

V

A

L

-

N

G

Q

Q

T

T

P

P

Y
|
Y

V

S

A

S

S

A

K
|
K

H

A

A

G

V

V

S

V

G

G

M

M

T

T

K

R

N

A

A

L

A

A

I

I

E

E

Y

L

G

G

K

R

D

A

G

G

I

I

L

T

T

V

N

N

A

C

I

V

A

A

P

P

G

G

A

L

I

I

L

H

T

T

P

P

M

M

V

W

A

D

E

E

A

L

F

-

K

-

Q

-

V

-

N

-

P

-

D

-

P

P

K

E

A

K

A

D

E

Q

A

Q

E

F

Y

L

A

L

Q

S

R

R

N

Q

P

P

T

T

R

G

A

K

L

L

G

G

D

E

P

P

K

D

D

D

V

I

G

A

K

N

L

T

V

L

S

L

F

F

L

L

I

A

S

D

D

D

E

D

N

S

G

G

Y

F

V

V

N

T

G

G

Q

Q

T

V

I

L

A

Y

I

V

D

C

G

G

E

R

S

S

N

L

L

F

Y

A

G

G

S15 (≠ M16) binding NAD(+)
D36 (= D37) binding NAD(+)
D62 (= D65) binding NAD(+)
I63 (≠ V66) binding NAD(+)
N89 (= N92) binding NAD(+)
Y153 (= Y158) binding NAD(+)
K157 (= K162) binding NAD(+)

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

5yssB Crystal structure of aminocaproic acid cyclase in complex with NAD (+) (see paper)
34% identity, 96% coverage: 4:255/263 of query aligns to 2:251/255 of 5yssB

query
sites
5yssB

M

L

K

T

N

G

K

K

V

T

I

A

I

L

I

V

T

T

G
|
G

A

S

A
x
T

M
x
S

G
|
G

L
x
I

G

G

F

L

A

G

A

I

A

A

E

Q

E

V

L

L

A

A

S

Q

K

A

G

G

A

A

K

T

L

L

V

I

L

L

V

N

D
x
G

Y
x
F

N

G

E

D

-

V

D

D

A

A

L

A

K

K

D

D

A

A

L

V

E

A

K

Q

L

Y

-

G

-

K

S

T

S

P

N

G

N

Y

N

H

G

G

L

-

D

-

A

-

I

-

S

-

I

-

K

-

A

A

D

D

V
x
L

S

S

D

D

E

E

E

A

Q

Q

V

I

K

A

N

D

Y

M

V

M

N

R

K

Y

T

A

V

E

E

S

K

E

Y

F

G

G

R

G

I

V

D

D

G

I

F

L

Y

I

N

N

N
|
N

A

A

G
|
G

I
|
I

E

Q

G

-

R

H

Q

V

A

S

P

P

L

I

T

E

E

T

Y

F

D

P

I

V

D

D

I

K

F

W

K

N

K

A

V

I

I

I

D

A

I

I

N

N

L

L

M

S

G

S

V

V

Y

F

Y

H

G

T

M

T

R

R

Y

L

V

A

I

L

P

P

V

G

M

M

Q

R

K

A

Q

R

K

N

Y

W

G

G

R

R

I

I

V

I

N

N

V

I

A
|
A

S

S

V

V

G

H

G

G

I

L

R

V

G

A

V

S

L

K

N

E

Q

K

T

S

P

A

Y
|
Y

V

V

A

A

S

A

K
|
K

H

H

A

G

V

V

S

V

G

G

M

L

T

T

K

K

N

T

A

I

A

A

I

L

E

E

Y

T

G

A

K

Q

D

T

G

E

I

I

L

T

T

C

N

N

A

A

I

L

A

C

P
|
P

G
|
G

A

W

I
x
V

L

L

T
|
T

P

P

M

L

V

V

A

Q

E

Q

A

Q

F

I

K

D

Q

K

-

R

-

I

V

A

N

E

P

G

D

A

D

E

P

P

K

E

A

A

-

R

E

D

A

A

E

L

Y

L

A

A

Q

E

R

K

N

Q

P

P

T

S

R

R

A

E

L

F

G

V

D

T

P

P

K

E

D

Q

V

L

G

G

K

N

L

L

V

A

S

L

F

F

L

L

I

C

S

S

D

D

E

G

N

A

G

A

Y

Q

V

V

N

R

G

G

Q

V

T

A

I

W

A

N

I

M

D

D

G

G

binding nicotinamide-adenine-dinucleotide: G11 (= G13), T13 (≠ A15), S14 (≠ M16), G15 (= G17), I16 (≠ L18), G35 (≠ D37), F36 (≠ Y38), L60 (≠ V66), N86 (= N92), G88 (= G94), I89 (= I95), A137 (= A144), Y151 (= Y158), K155 (= K162), P181 (= P188), G182 (= G189), V184 (≠ I191), T186 (= T193)

4qecA Elxo with NADP bound (see paper)
35% identity, 95% coverage: 7:255/263 of query aligns to 3:244/248 of 4qecA

query
sites
4qecA

K

K

V

N

I

V

I

L

I

I

T

T

G

G

A

G

A

F

M
x
K

G
|
G

L
x
I

G

G

F

K

A

Q

A

V

A

A

E

L

E

E

L

F

A

L

S

K

K

N

G

D

A

Y

K

H

L

V

V

C

L

I

V

T

D
x
S

Y
x
R

N

Y

E

F

D

E

A
x
K

L

E

K

K

D

R

A

I

L

P

E

H

K

L

L

F

S

S

N

Y

N

E

G

N

L

I

D

S

A

F

I

Y

S

Q

I

L

K

-

A

-

D
|
D

V
|
V

S

T

D

D

E

E

Q

Q

V

V

K

N

N

E

Y

I

V

I

N

N

K

K

T

I

V

V

E

K

K

K

Y

F

G

G

R

R

I

L

D

D

G

V

F

L

Y

V

N

N

N
|
N

A
|
A

G
|
G

I

I

E

S

G

L

R

S

Q

D

A

G

P

L

L

L

T

T

E

E

Y

T

D

K

I

T

D

T

I

D

F

F

K

N

K

K

V

M

I

I

D

N

I

T

N
|
N

L

I

M

L

G

G

V

T

Y

Y

Y

F

G

C

M

M

R

K

Y

Y

V

A

I

L

P

K

V

H

M

M

Q

Q

K

K

Q

V

K

S

Y

C

G

G

R

A

I

I

V

V

N

N

V
x
I

A

S

S
|
S

V

I

G

T

G

G

I

L

R

S

G

G

V

F

L

P

N

Y

Q

S

T

I

P

L

Y
|
Y

V

G

A

S

S

T

K
|
K

H

H

A

A

V

V

S

I

G

G

M

L

T

T

K

K

N

G

A

A

I

V

E

E

Y

F

G

A

K

D

D

K

G

G

I

I

L

K

T

I

N

N

A

A

I

V

A

A

P
|
P

G

G

A

I

I
|
I

L

K

T

T

P

E

M

T

V

L

A

-

E

-

A

-

F

-

K

-

Q

Q

V

K

N

E

P

I

D

D

D

S

P

G

K

E

A

F

A

S

E

E

A

D

E

S

Y

I

A

S

Q

S

R

I

N

H

P

P

T

M

R

Q

A

K

L

L

G

G

D

T

P

T

K

L

D

D

V

V

G

A

K

K

L

G

V

I

S

Y

F

F

L

L

I

A

S

N

D

E

E

D

N

N

G

N

Y

F

V

I

N

T

G

G

Q

H

T

V

I

L

A

S

I

I

D

D

G

G

active site: G13 (= G17), N111 (= N117), S139 (= S145), Y152 (= Y158), K156 (= K162)
binding nadp nicotinamide-adenine-dinucleotide phosphate: K12 (≠ M16), G13 (= G17), I14 (≠ L18), S33 (≠ D37), R34 (≠ Y38), K38 (≠ A42), D59 (= D65), V60 (= V66), N86 (= N92), A87 (= A93), G88 (= G94), I137 (≠ V143), Y152 (= Y158), K156 (= K162), P182 (= P188), I185 (= I191)

Query Sequence

>WP_157499288.1 NCBI__GCF_000769915.1:WP_157499288.1
MITMKNKVIIITGAAMGLGFAAAEELASKGAKLVLVDYNEDALKDALEKLSSNNNGLDAI
SIKADVSDEEQVKNYVNKTVEKYGRIDGFYNNAGIEGRQAPLTEYDIDIFKKVIDINLMG
VYYGMRYVIPVMQKQKYGRIVNVASVGGIRGVLNQTPYVASKHAVSGMTKNAAIEYGKDG
ILTNAIAPGAILTPMVAEAFKQVNPDDPKAAEAEYAQRNPTRALGDPKDVGKLVSFLISD
ENGYVNGQTIAIDGGESNLYGNS

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