SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_111609171.1 NCBI__GCF_003259225.1:WP_111609171.1 to proteins with known functional sites using BLASTp with E ≤ 0.001.

Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures

Found 20 (the maximum) hits to proteins with known functional sites (download)

5wjsA Crystal structure of oxidoreductase (short chain dehydrogenase/reductase family) from burkholderia thailandensis complexed with nadh
57% identity, 97% coverage: 7:255/256 of query aligns to 9:257/258 of 5wjsA

query
sites
5wjsA

A

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Y

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active site: G27 (= G25), S152 (= S150), Y162 (= Y160), Y165 (= Y163), K169 (= K167)
binding 1,4-dihydronicotinamide adenine dinucleotide: G23 (= G21), T26 (= T24), I28 (= I26), D47 (= D45), L48 (= L46), D73 (= D71), L74 (≠ I72), N100 (= N98), A102 (= A100), L150 (≠ F148), G151 (= G149), S152 (= S150), K169 (= K167), P195 (= P193), G196 (= G194), W197 (= W195), V198 (= V196), K202 (= K200)

7wwxA Crystal structure of herbaspirillum huttiense l-arabinose 1- dehydrogenase (NAD bound form) (see paper)
51% identity, 98% coverage: 7:256/256 of query aligns to 4:254/254 of 7wwxA

query
sites
7wwxA

A

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binding nicotinamide-adenine-dinucleotide: G18 (= G21), T21 (= T24), I23 (= I26), D42 (= D45), I43 (≠ L46), C68 (= C70), D69 (= D71), L70 (≠ I72), N96 (= N98), A98 (= A100), F146 (= F148), S147 (≠ G149), S148 (= S150), Y161 (= Y163), K165 (= K167), P191 (= P193), G192 (= G194), W193 (= W195), V194 (= V196), R198 (≠ K200)

7pcsB Structure of the heterotetrameric sdr family member bbscd (see paper)
36% identity, 95% coverage: 12:254/256 of query aligns to 2:241/247 of 7pcsB

query
sites
7pcsB

L

I

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Q

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K

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binding nicotinamide-adenine-dinucleotide: G11 (= G21), M16 (≠ I26), D35 (= D45), I36 (≠ L46), I62 (= I72), N88 (= N98), G90 (≠ A100), I138 (≠ F148), S140 (= S150), Y152 (= Y163), K156 (= K167), I185 (≠ V196)

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, 95% coverage: 12:254/256 of query aligns to 3:242/248 of Q9KJF1

query
sites
Q9KJF1

L

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K

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S15 (≠ T24) binding NAD(+)
D36 (= D45) binding NAD(+)
D62 (= D71) binding NAD(+)
I63 (= I72) binding NAD(+)
N89 (= N98) binding NAD(+)
Y153 (= Y163) binding NAD(+)
K157 (= K167) binding NAD(+)

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

5itvA Crystal structure of bacillus subtilis bacc dihydroanticapsin 7- dehydrogenase in complex with nadh (see paper)
31% identity, 96% coverage: 11:255/256 of query aligns to 4:252/255 of 5itvA

query
sites
5itvA

D

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V

V

C

P
|
P

G
|
G

W
x
I

V
x
I

M

D

T

T

E

P

K

L

Q

N

L

E

R

K

M

S

W

F

V

L

D

E

-

N

D

E

A

G

A

T

E

L

E

E

K

E

I

I

K

K

Q

K

S

E

Q

K

C

A

L

K

T

V

G

N

K

P

V

L

L

L

-

R

-

L

-

G

-

K

P

P

E

E

H

E

I

I

A

A

N

N

M

V

A

M

L

L

F

F

L

L

G

A

S

S

D

D

A

L

A

S

M

Y

C

M

S

T

A

G

Q

S

N

A

F

I

I

T

V

A

D

D

G

G

W

Y

active site: G18 (= G25), S141 (= S150), Y154 (= Y163), K158 (= K167)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G21), S17 (≠ T24), G18 (= G25), I19 (= I26), D38 (= D45), I39 (≠ L46), T61 (≠ C70), I63 (= I72), N89 (= N98), G91 (≠ A100), T139 (≠ F148), S141 (= S150), Y154 (= Y163), K158 (= K167), P184 (= P193), G185 (= G194), I186 (≠ W195), I187 (≠ V196)

4jroC Crystal structure of 3-oxoacyl-[acyl-carrier protein]reductase (fabg) from listeria monocytogenes in complex with NADP+
33% identity, 96% coverage: 12:256/256 of query aligns to 3:246/247 of 4jroC

query
sites
4jroC

L

L

K

Q

G

G

R

K

S

V

V

A

F

V

I

V

S

T

G
|
G

G

G

A
x
S

T
x
R

G
|
G

I
|
I

G

G

A

R

A

D

I

I

V

A

E

I

A

N

Y

L

A

A

K

K

Q

E

G

G

A

A

K

N

T

I

A

F

F

F

-
x
N

V
x
Y

D
x
N

L
x
G

D
x
S

E

P

K

E

A

A

G

A

T

E

A

E

L

T

A

A

K

K

R

L

L

V

K

A

K

E

D

H

G

G

H

V

E

E

V

V

R

E

F

A

E

M

V

K

C

A

D
x
N

I
x
V

T

A

N

I

I

A

Q

E

D

D

Y

V

Q

D

G

A

K

F

I

F

R

K

A

Q

A

A

A

I

D

E

A

R

F

F

G

G

P

R

I

V

S

D

V

I

L

L

L

V

N

N

N
|
N

A
|
A

A

G

N
x
I

D

T

V

R

R

D

H

N

S

L

L

L

E

M

S

R

L

M

T

K

E

E

E

D

R

E

F

W

D

D

E

D

L

V

V

I

G

N

V
x
I

N

N

I

L

K

K

H

G

A

T

M

F

F

L

A

C

A

T

Q

K

A

A

V

V

A

S

P

R

M

T

M

M

R

M

K

K

L

Q

G

R

G

A

G

G

S

K

I

I

N

N

F

M

G

A

S
|
S

V

V

G

V

W

G

M

L

M

I

A

G

T

N

A

A

G

G

Y
x
Q

P

A

T

N

Y
|
Y

G

V

T

A

S

S

K
|
K

A

A

A

G

T

V

H

I

G

G

L

L

T

T

R

K

S

T

L

T

A

A

R

R

D

E

L

L

G

A

G

P

A

R

G

G

I

I

R

N

V

V

N

N

T

A

L

V

V

A

P
|
P

G

G

W

F

V
x
I

M

T

T
|
T

E

D

K

M

Q

T

L

D

R

K

M

L

W

-

V

-

D

D

D

E

A

K

A

T

E

K

E

E

K

A

I

M

K

L

Q

A

S

Q

Q

I

C

P

L

L

T

G

G

A

K

Y

V

G

L

T

P

T

E

E

H

D

I

I

A

A

N

N

M

A

A

V

L

L

F

F

L

L

G

A

S

S

D

D

A

A

A

S

A

K

M

Y

C

I

S

T

A

G

Q

Q

N

T

F

L

I

S

V

V

D

D

G

G

W

M

V

V

active site: G16 (= G25), S142 (= S150), Q152 (≠ Y160), Y155 (= Y163), K159 (= K167)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G21), S14 (≠ A23), R15 (≠ T24), G16 (= G25), I17 (= I26), N35 (vs. gap), Y36 (≠ V44), N37 (≠ D45), G38 (≠ L46), S39 (≠ D47), N63 (≠ D71), V64 (≠ I72), N90 (= N98), A91 (= A99), I93 (≠ N101), I113 (≠ V121), S142 (= S150), Y155 (= Y163), K159 (= K167), P185 (= P193), I188 (≠ V196), T190 (= T198)

1vl8B Crystal structure of gluconate 5-dehydrogenase (tm0441) from thermotoga maritima at 2.07 a resolution
29% identity, 96% coverage: 11:255/256 of query aligns to 3:249/252 of 1vl8B

query
sites
1vl8B

D

D

L

L

K

R

G

G

R

R

S

V

V

A

F

L

I

V

S

T

G
|
G

G

G

A

S

T
x
R

G
|
G

I
x
L

G

G

A

F

A

G

I

I

V

A

E

Q

A

G

Y

L

A

A

K

E

Q

A

G

G

A

C

K

S

T

V

A

V

F

V

V

A

D
x
S

L
x
R

D

N

-

L

E

E

K

E

A

A

G

S

T

E

A

A

L

A

A

Q

K

K

R

L

L

T

K

E

K

K

D

Y

G

G

H

V

E

E

V

T

R

M

F

A

E

F

V

R

C
|
C

D
|
D

I
x
V

T

S

N

N

I

Y

Q

E

D

E

Y

V

Q

K

G

K

K

L

I

L

R

E

A

A

A

V

A

K

D

E

A

K

F

F

G

G

P

K

I

L

S

D

V

T

L

V

N

N

N
x
A

A
|
A

A
x
G

N
x
I

D

N

V

R

R

R

H

H

S

P

L

A

E

E

S

E

L

F

T

P

E

L

E

D

R

E

F

F

D

R

E

Q

L

V

V

I

G

E

V
|
V

N

N

I

L

K

F

H

G

A

T

M

Y

F

Y

A

V

A

C

Q

R

A

E

V

A

A

F

P

S

M

L

R

R

K

E

L

S

G

D

G

N

G

P

S

S

I

I

N

N

F
x
I

G

G

S
|
S

V

L

G

T

W

V

M

E

A

V

T

T

-

M

A

P

G

N

Y
x
I

P

S

T

A

Y
|
Y

G

A

T

A

S

S

K
|
K

A

G

T

V

H

A

G

S

L

L

T

T

R

K

S

A

L

L

A

A

R

K

D

E

L

W

G

G

G

R

A

Y

G

G

I

I

R

R

V

V

N

N

T

V

L

I

V

A

P
|
P

G
|
G

W

W

V
x
Y

M

R

T
|
T

E

K

K
x
M

Q
x
T

L

E

R

A

M

V

W

F

V

S

D

D

D

P

A

E

A

K

E

L

E

D

K

Y

I

M

K

L

Q

K

S

R

Q

I

C

P

L

L

T

G

G

R

K

T

V

G

L

V

P

P

E

E

H

D

I

L

A

K

N

G

M

V

A

A

L

V

F

F

L

L

G

A

S

S

D

E

A

E

A

A

A

K

M

Y

C

V

S

T

A

G

Q

Q

N

I

F

I

I

F

V

V

D

D

G

G

W

W

active site: G17 (= G25), S143 (= S150), I154 (≠ Y160), Y157 (= Y163), K161 (= K167)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G21), R16 (≠ T24), G17 (= G25), L18 (≠ I26), S37 (≠ D45), R38 (≠ L46), C63 (= C70), D64 (= D71), V65 (≠ I72), A91 (≠ N98), A92 (= A99), G93 (≠ A100), I94 (≠ N101), V114 (= V121), I141 (≠ F148), S143 (= S150), Y157 (= Y163), K161 (= K167), P187 (= P193), G188 (= G194), Y190 (≠ V196), T192 (= T198), M194 (≠ K200), T195 (≠ Q201)

6zzqA Crystal structure of (r)-3-hydroxybutyrate dehydrogenase from acinetobacter baumannii complexed with NAD+ and acetoacetate (see paper)
31% identity, 95% coverage: 12:255/256 of query aligns to 4:257/260 of 6zzqA

query
sites
6zzqA

L

L

K

D

G

G

R

K

S

V

V

A

F

F

I

I

S

T

G
|
G

G

S

A

A

T
x
S

G
|
G

I
|
I

G

G

A

L

A

E

I

I

V

A

E

K

A

K

Y

F

A

A

K

Q

Q

E

G

G

A

A

K

K

T

V

A

V

F

I

V

S

D
|
D

L
x
M

D

N

E

A

K

E

A

K

G

C

T

Q

A

E

L

T

A

A

K

N

R

S

L

L

K

K

K

E

D

Q

G

G

H

F

E

D

V

A

R

L

F

S

E

A

V

P

C

C

D
|
D

I
x
V

T

T

N

D

I

E

Q

D

D

A

Y

Y

Q

K

G

Q

K

A

I

I

R

E

A

L

A

T

A

Q

D

K

A

T

F

F

G

G

P

T

I

V

S

D

V

I

L

L

L

I

N

N

N
|
N

A
|
A

A
x
G

N

F

D
x
Q

V

H

R

V

H

A

S

P

L

I

E

E

S

E

L

F

T

P

E

T

E

A

R

V

F

F

D

Q

E

K

L

L

V

V

G

Q

V

V

N

M

I

L

K

T

H

G

A

A

M

F

F

I

A

G

A

I

Q

K

A

H

V

V

A

L

P

P

M

I

M

M

R

K

K

A

L

Q

G

K

G

Y

G

G

S

R

I

I

N

N

F
x
M

G
x
A

S
|
S

V

I

G

N

W

G

M

L

M

I

A

G

T

F

A

A

G

G

Y
x
K

P

A

T

G

Y
|
Y

G

N

T

S

S

A

K
|
K

A

H

A

G

T

V

H

I

G

G

L

L

T

T

R

K

S

V

L

A

A

A

R

L

D

E

L

C

G

A

G

R

A

D

G

G

I

I

R

T

V

V

N

N

T

A

L

L

V

C

P

P

G

G

W
x
Y

V
|
V

M

D

T
|
T

E

P

-

L

-

V

-

R

-

G

-
x
Q

-

I

-

A

-

D

-

L

-

A

K

K

Q

T

L

R

R

N

M

V

W

S

V

L

D

D

D

S

A

A

A

L

E

E

E

D

K

V

I

I

-

L

-

A

-

M

-

V

K

P

Q

Q

S

K

Q

R

C

L

L

L

T

S

G

-

K

-

V

-

L

-

P

V

E

E

H

E

I

I

A

A

N

D

M

Y

A

A

L

I

F

F

L

L

G

A

S

S

D

S

A

K

A

A

A

G

M

G

C

V

S

T

A

G

Q

Q

N

A

F

V

I

V

V

M

D

D

G

G

W

Y

active site: G17 (= G25), S142 (= S150), Y155 (= Y163)
binding acetoacetic acid: Q94 (≠ D102), S142 (= S150), K152 (≠ Y160), Y155 (= Y163), Q196 (vs. gap)
binding nicotinamide-adenine-dinucleotide: G13 (= G21), S16 (≠ T24), G17 (= G25), I18 (= I26), D37 (= D45), M38 (≠ L46), D63 (= D71), V64 (≠ I72), N90 (= N98), A91 (= A99), G92 (≠ A100), M140 (≠ F148), A141 (≠ G149), S142 (= S150), Y155 (= Y163), K159 (= K167), Y187 (≠ W195), V188 (= V196), T190 (= T198)

6zzsD Crystal structure of (r)-3-hydroxybutyrate dehydrogenase from acinetobacter baumannii complexed with NAD+ and 3-oxovalerate (see paper)
31% identity, 95% coverage: 12:255/256 of query aligns to 5:258/261 of 6zzsD

query
sites
6zzsD

L

L

K

D

G

G

R

K

S

V

V

A

F

F

I

I

S

T

G
|
G

G

S

A

A

T
x
S

G
|
G

I
|
I

G

G

A

L

A

E

I

I

V

A

E

K

A

K

Y

F

A

A

K

Q

Q

E

G

G

A

A

K

K

T

V

A

V

F

I

V

S

D
|
D

L
x
M

D

N

E

A

K

E

A

K

G

C

T

Q

A

E

L

T

A

A

K

N

R

S

L

L

K

K

K

E

D

Q

G

G

H

F

E

D

V

A

R

L

F

S

E

A

V

P

C

C

D
|
D

I
x
V

T

T

N

D

I

E

Q

D

D

A

Y

Y

Q

K

G

Q

K

A

I

I

R

E

A

L

A

T

A

Q

D

K

A

T

F

F

G

G

P

T

I

V

S

D

V

I

L

L

L

I

N

N

N
|
N

A
|
A

A
x
G

N

F

D
x
Q

V

H

R

V

H

A

S

P

L

I

E

E

S

E

L

F

T

P

E

T

E

A

R

V

F

F

D

Q

E

K

L

L

V

V

G

Q

V

V

N

M

I

L

K

T

H

G

A

A

M

F

F

I

A

G

A

I

Q

K

A

H

V

V

A

L

P

P

M

I

M

M

R

K

K

A

L

Q

G

K

G

Y

G

G

S

R

I

I

N

N

F
x
M

G
x
A

S
|
S

V

I

G
x
N

W

G

M

L

M

I

A

G

T

F

A

A

G

G

Y
x
K

P

A

T

G

Y
|
Y

G

N

T

S

S

A

K
|
K

A

H

A

G

T

V

H

I

G

G

L

L

T

T

R

K

S

V

L

A

A

A

R

L

D

E

L

C

G

A

G

R

A

D

G

G

I

I

R

T

V

V

N

N

T

A

L

L

V

C

P
|
P

G
|
G

W

Y

V
|
V

M

D

T
|
T

E

P

-
x
L

-

V

-

R

-

G

-
x
Q

-

I

-

A

-

D

-

L

-

A

K

K

Q

T

L

R

R

N

M

V

W

S

V

L

D

D

D

S

A

A

A

L

E

E

E

D

K

V

I

I

-

L

-

A

-

M

-

V

K

P

Q

Q

S

K

Q

R

C

L

L

L

T

S

G

-

K

-

V

-

L

-

P

V

E

E

H

E

I

I

A

A

N

D

M

Y

A

A

L

I

F

F

L

L

G

A

S

S

D

S

A

K

A

A

A

G

M

G

C

V

S

T

A

G

Q

Q

N

A

F

V

I

V

V

M

D

D

G

G

W

Y

active site: G18 (= G25), S143 (= S150), Y156 (= Y163)
binding nicotinamide-adenine-dinucleotide: G14 (= G21), S17 (≠ T24), I19 (= I26), D38 (= D45), M39 (≠ L46), D64 (= D71), V65 (≠ I72), N91 (= N98), A92 (= A99), G93 (≠ A100), M141 (≠ F148), A142 (≠ G149), S143 (= S150), Y156 (= Y163), K160 (= K167), P186 (= P193), G187 (= G194), V189 (= V196), T191 (= T198), L193 (vs. gap)
binding 3-oxidanylidenepentanoic acid: Q95 (≠ D102), S143 (= S150), N145 (≠ G152), K153 (≠ Y160), Y156 (= Y163), Q197 (vs. gap)

Q9BTZ2 Dehydrogenase/reductase SDR family member 4; NADPH-dependent carbonyl reductase; CR; NADPH-dependent retinol dehydrogenase/reductase; NRDR; humNRDR; Peroxisomal short-chain alcohol dehydrogenase; PSCD; SCAD-SRL; Short chain dehydrogenase/reductase family 25C member 2; Protein SDR25C2; Short-chain dehydrogenase/reductase family member 4; EC 1.1.1.184 from Homo sapiens (Human) (see 2 papers)
30% identity, 95% coverage: 12:254/256 of query aligns to 30:273/278 of Q9BTZ2

query
sites
Q9BTZ2

L

L

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A

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G

S176 (≠ T157) Responsible for the stereoselective reduction of 3-ketosteroids into 3beta-hydroxysteroids and benzil into R-benzoin; mutation to F: Decreased reduction activity for benzil, isatin and retinal and increased activity for 5beta-Pregnane-3,20-dione and 5beta-Dihydrotestosterone. No change of stereoselectivity in 3-ketosteroids reduction and no change in 3beta-hydroxysteroid oxidation. Decreased reduction activity for isatin and increased activity for 5beta-Pregnane-3,20-dione, 5beta-Dihydrotestosterone, benzil and retinal; when associated with L-179. Change in stereoselective activity by the reduction of 5beta-Pregnane-3,20-dione predominantly to the 3alpha-hydroxysteroid; when associated with L-179. Switch from 3beta-hydroxysteroid to 3alpha-hydroxysteroid oxidation; when associated with L-179. Loss of cold catalytic inactivation; when associated with L-179 and N-195. Increased reduction activity for renital and oxidation activity for retinol; when associated with L-179 and N-195.
F179 (≠ Y160) Responsible for the stereoselective reduction of 3-ketosteroids into 3beta-hydroxysteroids and benzil into R-benzoin; mutation to L: Decreased reduction activity for isatin and increased activity for 5beta-Pregnane-3,20-dione, 5beta-Dihydrotestosterone, benzil and retinal; when associated with F-176. Change in stereoselective activity by the reduction of 5beta-Pregnane-3,20-dione predominantly to the 3alpha-hydroxysteroid; when associated with F-176. Switch from 3beta-hydroxysteroid to 3alpha-hydroxysteroid oxidation; when associated with F-176. Loss of cold catalytic inactivation; when associated with F-176 and N-195. Increased reduction activity for renital and oxidation activity for retinol; when associated with F-176 and N-195.
T195 (≠ S176) mutation to N: Loss of cold catalytic inactivation. Loss of cold catalytic inactivation; when associated with F-176 and L-179. Switch in stereoselective activity from 3beta-hydroxysteroid to 3alpha-hydroxysteroid oxidation; when associated with F-176 and L-179. Increased reduction activity for renital and oxidation activity for retinol; when associated with F-176 and L-179.

3o4rA Crystal structure of human dehydrogenase/reductase (sdr family) member 4 (dhrs4)
30% identity, 95% coverage: 12:254/256 of query aligns to 6:249/254 of 3o4rA

query
sites
3o4rA

L

L

K

A

G

N

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G
x
A

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A

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N

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G

active site: G19 (= G25), S145 (= S150), F155 (≠ Y160), Y158 (= Y163), K162 (= K167), K203 (≠ D208)
binding nadp nicotinamide-adenine-dinucleotide phosphate: A15 (≠ G21), T17 (≠ A23), D18 (≠ T24), G19 (= G25), I20 (= I26), S39 (≠ D45), R40 (≠ L46), K41 (≠ D47), N44 (≠ A50), H65 (≠ D71), V66 (≠ I72), N92 (= N98), A94 (= A100), S145 (= S150), Y158 (= Y163), K162 (= K167), P188 (= P193), G189 (= G194), L190 (≠ W195), I191 (≠ V196), T193 (= T198), F195 (≠ K200), S196 (≠ Q201)

4nbtA Crystal structure of fabg from acholeplasma laidlawii (see paper)
33% identity, 95% coverage: 12:254/256 of query aligns to 3:236/239 of 4nbtA

query
sites
4nbtA

L

L

K

E

G

G

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G

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L

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G

active site: G16 (= G25), S132 (= S150), Y145 (= Y163), K149 (= K167)
binding nicotinamide-adenine-dinucleotide: G12 (= G21), K15 (≠ T24), G16 (= G25), L17 (≠ I26), D36 (= D45), L37 (= L46), L52 (≠ F67), N53 (≠ E68), V54 (= V69), N80 (= N98), A81 (= A99), G82 (≠ A100), I130 (≠ F148), S132 (= S150), Y145 (= Y163), K149 (= K167), P177 (= P193), G178 (= G194), I180 (≠ V196), T182 (= T198)

2hsdA The refined three-dimensional structure of 3alpha,20beta- hydroxysteroid dehydrogenase and possible roles of the residues conserved in short-chain dehydrogenases (see paper)
33% identity, 96% coverage: 11:255/256 of query aligns to 2:241/253 of 2hsdA

query
sites
2hsdA

D

D

L

L

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S

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G

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V

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I

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G

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L

G

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A

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A

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A

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D

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V

D

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D

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E

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E

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G

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A

A

A

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A

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R

E

L

L

K

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D

-

G

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H

D

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C
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L

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E

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D

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A

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A

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D

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A

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F

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S

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G

L

L

L

V

N

N

N
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A
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A

A

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N

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R

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H

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L

L

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E

E

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F

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N

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A

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M

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D

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A

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G

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S

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N

F

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G

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Y

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L

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G

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N

N

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P

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G

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x
T

M

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T

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E

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K

M

Q

-

L

-

R

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M

-

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D

-

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A

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E

E

T

K

G

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K

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Q

S

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G

-

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-

Y

-

P

-

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C

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M

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G

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R

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V

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G

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W

W

active site: G16 (= G25), S138 (= S150), Y151 (= Y163), K155 (= K167)
binding nicotinamide-adenine-dinucleotide: G12 (= G21), R15 (≠ T24), G16 (= G25), L17 (≠ I26), D36 (= D45), V37 (≠ L46), L58 (≠ C70), V60 (≠ I72), N86 (= N98), A87 (= A99), S138 (= S150), Y151 (= Y163), K155 (= K167), P181 (= P193), G182 (= G194), T184 (≠ V196)

1hdcA Mechanism of inhibition of 3alpha,20beta-hydroxysteroid dehydrogenase by a licorice-derived steroidal inhibitor (see paper)
33% identity, 96% coverage: 11:255/256 of query aligns to 2:241/253 of 1hdcA

query
sites
1hdcA

D

D

L

L

K

S

G

G

R

K

S

T

V

V

F

I

I

I

S

T

G

G

A

A

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G
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G

I

L

G

G

A

A

A

E

I

A

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A

E

R

A

Q

Y

A

A

V

K

A

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A

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G

A

A

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A

V

F

L

V

A

D

D

L

V

D

L

E

D

K

E

A

E

G

G

T

A

A

A

L

T

A

A

K

R

R

E

L

L

K

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D

-

G

G

H

D

E

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A

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R

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E

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C

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D

D

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I

I

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Q

E

D

D

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Q

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A

A

Y

A

A

A

R

D

E

A

E

F

F

G

G

P

S

I

V

S

D

V

G

L

L

L

V

N

N

A

A

A

G

N

I

D
x
S

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x
T

R
x
G

H

M

S

F

L

L

E

E

S

T

L

E

T

S

E

V

E

E

R

R

F

F

D

R

E

K

L

V

V

V

G

E

V

I

N

N

I

L

K

T

H

G

A

V

M

F

F

I

A

G

A

M

Q

K

A

T

V

V

A

I

P

P

M

A

M

M

R

K

K

D

L

A

G

G

S

S

I

I

I

V

N

N

F

I

G

S

S
|
S

V

A

G

A

W

G

M

L

M

M

A

G

T

L

A

A

G
x
L

Y

T

P

S

T

S

Y
|
Y

G

G

T

A

S

S

K
|
K

A

W

A

G

T

V

H

R

G

G

L

L

T

S

R

K

S

L

L

A

A

A

R

V

D

E

L

L

G

G

G

T

A

D

G

R

I

I

R

R

V

V

N

N

T

S

L

V

V

H

P

P

G

G

W
x
M

V

T

M

Y

T

T

E

P

K
x
M

Q

-

L

-

R

-

M

-

W

-

V

-

D

-

A
x
T

A

A

E

E

E
x
T

K

G

I

I

K

R

Q

Q

S

G

Q

E

-

G

-

N

-

Y

-

P

-

N

C

T

L

P

T

M

G

G

K

R

V

V

-

G

L

E

P

P

E

G

H

E

I

I

A

A

N

G

M

A

A

V

L

V

F

K

L

L

G

L

S

S

D

D

A

T

A

S

M

Y

C

V

S

T

A

G

Q

A

N

E

F

L

I

A

V

V

D

D

G

G

W

W

active site: G16 (= G25), S138 (= S150), Y151 (= Y163), K155 (= K167)
binding carbenoxolone: S90 (≠ D102), T91 (≠ V103), G92 (≠ R104), L147 (≠ G159), Y151 (= Y163), M183 (≠ W195), M188 (≠ K200), T189 (≠ A209), T192 (≠ E212)

4nbuB Crystal structure of fabg from bacillus sp (see paper)
32% identity, 95% coverage: 12:254/256 of query aligns to 5:241/244 of 4nbuB

query
sites
4nbuB

L

L

K

Q

G

D

R

K

S

V

V

A

F

I

I

I

S

T

G
|
G

G

A

A

A

T
x
N

G
|
G

I
|
I

G

G

A

L

A

E

I

A

V

A

E

R

A

V

Y

F

A

M

K

K

Q

E

G

G

A

A

K

K

T

V

A

V

F

I

V

A

D
|
D

L
x
F

D

N

E

E

K

A

A

A

G

G

T

-

A

-

L

-

A

-

K

K

R

E

L

A

K

V

K

E

D

A

G

N

H

P

E

G

V

V

R

V

F

F

E

I

V

R

C
x
V

D
|
D

I
x
V

T

S

N

D

I

R

Q

E

D

S

Y

V

Q

H

G

R

K

L

I

V

R

E

A

N

A

V

A

A

D

E

A

R

F

F

G

G

P

K

I

I

S

D

V

I

L

L

L

I

N

N

N
|
N

A
|
A

A
x
G

N
x
I

D

T

V

R

R
x
D

H

S

S

M

L

L

E

S

S
x
K

L

M

T

T

E

V

E

D

R

Q

F

F

D

Q

E

Q

L

V

V

I

G

N

V

V

N
|
N

I

L

K

T

H

G

A

V

M

F

F

H

A

C

A

T

Q

Q

A

A

V

V

A

L

P

P

M

Y

M

M

R

A

K

E

L

Q

G

G

G

K

G

G

S

K

I

I

N

N

F
x
T

G

S

S
|
S

V

V

G

T

W

G

M

T

M

Y

A

G

T
x
N

A
x
V

G

G

Y
x
Q

P

T

T

N

Y
|
Y

G

A

T

A

S

A

K
|
K

A

A

A

G

T

V

H

I

G

G

L

M

T

T

R

K

S

T

L

W

A

A

R

K

D

E

L

L

G

A

G

R

A

K

G

G

I

I

R

N

V

V

N

N

T

A

L

V

V

A

P
|
P

G

G

W
x
F

V

-

M

-

T
|
T

E

E

K
x
T

Q

A

L
x
M

R

V

M

A

W

E

V

V

D

P

D

E

A

K

A

V

E

I

E

E

K
|
K

I

M

K

K

Q

-

S

A

Q

Q

C

V

L

P

T

M

G

G

K

R

V

L

-

G

L

K

P

P

E

E

H

D

I

I

A

A

N

N

M

A

A

Y

L

L

F

F

L

L

G

A

S

S

D

H

A

E

A

S

A

D

M

Y

C

V

S

N

A

G

Q

H

N

V

F

L

I

H

V

V

D

D

G

G

active site: G18 (= G25), N111 (= N122), S139 (= S150), Q149 (≠ Y160), Y152 (= Y163), K156 (= K167)
binding acetoacetyl-coenzyme a: D93 (≠ R104), K98 (≠ S109), S139 (= S150), N146 (≠ T157), V147 (≠ A158), Q149 (≠ Y160), Y152 (= Y163), F184 (≠ W195), M189 (≠ L202), K200 (= K213)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G21), N17 (≠ T24), G18 (= G25), I19 (= I26), D38 (= D45), F39 (≠ L46), V59 (≠ C70), D60 (= D71), V61 (≠ I72), N87 (= N98), A88 (= A99), G89 (≠ A100), I90 (≠ N101), T137 (≠ F148), S139 (= S150), Y152 (= Y163), K156 (= K167), P182 (= P193), F184 (≠ W195), T185 (= T198), T187 (≠ K200), M189 (≠ L202)

F1SWA0 Zerumbone synthase; EC 1.1.1.326 from Zingiber zerumbet (Shampoo ginger) (Amomum zerumbet) (see paper)
29% identity, 95% coverage: 12:255/256 of query aligns to 3:256/267 of F1SWA0

query
sites
F1SWA0

L

L

K

E

G

G

R

K

S

V

V

A

F

L

I

V

S

T

G

G

A

A

T

S

G

G

I

I

G

G

A

E

A

S

I

I

V

A

E

R

A

L

Y

F

A

I

K

E

Q

H

G

G

A

A

K

K

T

I

A

C

F

I

V

V

D

D

L

V

D

Q

E

D

K

E

A

L

G

G

T

Q

A

Q

L

V

A

S

K

Q

R

R

L

L

K

G

D

D

G

P

H

H

E

A

V

C

R

Y

F

F

E

H

V

-

C

C

D

D

I

V

T

T

N

V

I

E

Q

D

D

D

Y

V

Q

R

G

R

K

A

I

V

R

D

A

F

A

T

A

A

D

E

A

K

F

Y

G

G

P

T

I

I

S

D

V

I

L

M

L

V

N

N

A

A

-

G

-

I

A

T

N

G

D

D

V

K

R

V

H

I

S

D

L

I

E

R

S

D

L

A

T

D

E

F

E

N

R

E

F

F

D

K

E

K

L

V

V

F

G

D

V

I

N

N

I

V

K

N

H

G

A

V

M

F

F

L

A

G

A

M

Q

K

A

H

V

A

A

A

P

R

M

I

M

M

R

I

K

P

L

K

G

M

G

K

G

G

S

S

I

I

I

V

N

S

F

L

G

A

S
|
S

V

V

G
x
S

W

S

M

V

M

I

A

A

T

G

A

A

G

G

Y

P

P

H

T

G

Y
|
Y

G

T

T

G

S

A

K
|
K

A

H

A

A

T

V

H

V

G

G

L

L

T

T

R

K

S

S

L

V

A

A

R

A

D

E

L

L

G

G

G

R

A

H

G

G

I

I

R

R

V

V

N

N

T

C

L

V

V

S

P

P

G

Y

W

A

V

V

M

P

T

T

E

R

K

L

Q

S

L

M

R

P

M

Y

W

L

V

P

D

E

D

S

A

E

A

M

E

Q

E

E

K

D

-

A

-

L

-

R

-

G

-

F

-

L

-

T

-

F

I

V

K

R

Q

S

S

N

Q

A

C

N

L

L

T

K

G

G

-

V

K

D

V

L

L

M

P

P

E

N

H

D

I

V

A

A

N

E

M

A

A

V

L

L

F

Y

L

L

G

A

S

T

D

E

A

E

A

S

A

K

M

Y

C

V

S

S

A

G

Q

L

N

N

F

L

I

V

V

I

D

D

G

G

W

F

S142 (= S150) mutation to A: Strong reduction in oxidoreductase activity toward 8-hydroxy-alpha-humulene and borneol.
S144 (≠ G152) mutation to A: Increased oxidoreductase activity toward 8-hydroxy-alpha-humulene and borneol.
Y155 (= Y163) mutation to A: Strong reduction in oxidoreductase activity toward 8-hydroxy-alpha-humulene and borneol.
K159 (= K167) mutation to A: Abolishes all oxidoreductase activity.

2zatA Crystal structure of a mammalian reductase (see paper)
31% identity, 95% coverage: 12:254/256 of query aligns to 3:246/251 of 2zatA

query
sites
2zatA

L

L

K

E

G

N

R

K

S

V

V

A

F

L

I

V

S

T

G
x
A

G

S

A
x
T

T
x
D

G
|
G

I
|
I

G

G

A

L

A

A

I

I

V

A

E

R

A

R

Y

L

A

A

K

Q

Q

D

G

G

A

A

K

H

T

V

A

V

F

V

V

S

D
x
S

L
x
R

D
x
K

E

Q

K

E

A
x
N

G

V

T

D

A

R

L

T

A

V

K

A

R

T

L

L

K

Q

K

G

D

E

G

G

H

L

E

S

V

V

R

T

F

G

E

T

V

V

C

C

D
x
H

I

V

T

G