SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing PfGW456L13_2522 3-oxoacyl-[acyl-carrier protein] reductase (EC 1.1.1.100) 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)

6xewA Structure of serratia marcescens 2,3-butanediol dehydrogenase (see paper)
41% identity, 96% coverage: 3:239/248 of query aligns to 2:243/251 of 6xewA

query
sites
6xewA

R

R

L

F

Q

D

N

N

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K

V

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active site: G16 (= G17), S138 (= S132), Y151 (= Y145)
binding r,3-hydroxybutan-2-one: S138 (= S132), S140 (≠ F134), Y151 (= Y145)
binding s,3-hydroxybutan-2-one: S138 (= S132), Y151 (= Y145), S182 (≠ G176)
binding nicotinamide-adenine-dinucleotide: G12 (= G13), N15 (≠ S16), G16 (= G17), M17 (≠ I18), D36 (= D37), W37 (vs. gap), W37 (vs. gap), A38 (vs. gap), I59 (≠ L52), D60 (= D53), V61 (= V54), N87 (≠ A80), A88 (= A81), G89 (= G82), V110 (≠ I103), T136 (≠ V130), S138 (= S132), Y151 (= Y145), K155 (= K149), S182 (≠ G176), L183 (= L177), V184 (≠ I178), T186 (= T180), N187 (≠ P181), M188 (= M182), T189 (= T183)

6vspB Structure of serratia marcescens 2,3-butanediol dehydrogenase mutant q247a (see paper)
41% identity, 96% coverage: 3:239/248 of query aligns to 4:245/252 of 6vspB

query
sites
6vspB

R

R

L

F

Q

D

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N

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K

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active site: G18 (= G17), S140 (= S132), Y153 (= Y145)
binding adenosine-5'-diphosphate: G14 (= G13), N17 (≠ S16), D38 (= D37), W39 (vs. gap), I61 (≠ L52), D62 (= D53), V63 (= V54), G91 (= G82)

6vspA Structure of serratia marcescens 2,3-butanediol dehydrogenase mutant q247a (see paper)
41% identity, 96% coverage: 3:239/248 of query aligns to 2:243/251 of 6vspA

query
sites
6vspA

R

R

L

F

Q

D

N

N

K

K

V

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active site: G16 (= G17), S138 (= S132), Y151 (= Y145)
binding nicotinamide-adenine-dinucleotide: G12 (= G13), N15 (≠ S16), G16 (= G17), M17 (≠ I18), D36 (= D37), W37 (vs. gap), W37 (vs. gap), A38 (vs. gap), I59 (≠ L52), D60 (= D53), V61 (= V54), N87 (≠ A80), A88 (= A81), G89 (= G82), V90 (= V83), V110 (≠ I103), T136 (≠ V130), S138 (= S132), Y151 (= Y145), K155 (= K149), P181 (= P175), S182 (≠ G176), L183 (= L177), V184 (≠ I178), T186 (= T180), N187 (≠ P181), M188 (= M182), T189 (= T183)

H9XP47 Meso-2,3-butanediol dehydrogenase; BDH; meso-2,3-BDH; (R,S)-butane-2,3-diol dehydrogenase; NAD(H)-dependent meso-2,3-BDH; SmBdh; EC 1.1.1.- from Serratia marcescens (see paper)
41% identity, 96% coverage: 3:239/248 of query aligns to 2:243/251 of H9XP47

query
sites
H9XP47

R

R

L

F

Q

D

N

N

K

K

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V

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V

V

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T

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G

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N15 (≠ S16) binding
M17 (≠ I18) binding
D36 (= D37) binding
D60 (= D53) binding
V61 (= V54) binding
N87 (≠ A80) binding
S138 (= S132) binding ; binding
V139 (≠ I133) mutation to Q: Retains 50% of activity with acetoin as substrate; when associated with A-247.
S140 (≠ F134) binding
Y151 (= Y145) binding ; binding ; binding
K155 (= K149) binding
V184 (≠ I178) binding
T186 (= T180) binding
RDK 197:199 (≠ RDN 187:189) mutation to SEAAGKPLGYGTET: Mimics longer alpha6 helix. Retains 3% of activity with acetoin as substrate.

Sites not aligning to the query:

247 Q→A: Retains 10% of activity with acetoin as substrate. Retains 50% of activity with acetoin as substrate; when associated with Q-139.

5itvA Crystal structure of bacillus subtilis bacc dihydroanticapsin 7- dehydrogenase in complex with nadh (see paper)
40% identity, 95% coverage: 4:239/248 of query aligns to 5:254/255 of 5itvA

query
sites
5itvA

L

L

Q

T

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D

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K

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D

Q

I

V

N

N

L

L

T

T

G

G

S

M

M

F

L

L

T

M

S

S

K

K

Y

H

A

A

L

L

A

K

S

H

M

M

V

L

E

A

Q

A

R

G

N

K

G

G

S

N

I

I

N

N

V
x
T

G

C

S
|
S

I

V

F

G

G

G

L

L

Q

V

G

A

C

W

D

P

G

D

N

I

V

P

A

A

Y
|
Y

N

N

V

A

S

S

K
|
K

G

G

I

V

N

L

Q

Q

L

L

T

T

R

K

S

S

M

M

A

A

I

V

D

D

Y

Y

G

A

Y

K

A

H

N

Q

I

I

R

R

V

V

N

N

G

C

L

V

C

C

P
|
P

G
|
G

L
x
I

I
|
I

E

D

T

T

P

P

M

L

T

N

-

E

-

K

S

S

M

F

V

L

R

E

D

N

N

N

D

E

A

G

-

T

-

L

-

E

F

I

H

K

A

K

F

E

F

K

A

A

S

K

Q

V

H

N

M

P

L

L

N

L

R

R

S

L

G

G

Q

K

P

P

E

E

V

I

A

A

N

N

V

V

A

M

L

L

F

F

L

L

A

A

S

S

D

D

E

L

A

S

S

S

F

Y

V

M

S

T

G

G

Q

S

M

A

I

I

A

T

V

A

D

D

G

G

F

Y

S

T

A

A

active site: G18 (= G17), S141 (= S132), Y154 (= Y145), K158 (= K149)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G13), S17 (= S16), G18 (= G17), I19 (= I18), D38 (= D37), I39 (= I38), T61 (≠ L52), I63 (≠ V54), N89 (≠ A80), G91 (= G82), T139 (≠ V130), S141 (= S132), Y154 (= Y145), K158 (= K149), P184 (= P175), G185 (= G176), I186 (≠ L177), I187 (= I178)

4wecA Crystal structure of a short chain dehydrogenase from mycobacterium smegmatis
42% identity, 96% coverage: 3:239/248 of query aligns to 7:252/258 of 4wecA

query
sites
4wecA

R

R

L

L

Q

A

N

G

K

K

V

V

A

A

V

V

V

I

T

T

G
|
G

G

G

A
|
A

S
|
S

G
|
G

I
|
I

G

G

L

L

A

A

C

T

V

G

R

R

F

L

S

R

A

A

E

E

G

G

A

A

Q

T

V

V

I

V

G

V

L

G

D
|
D

I
|
I

-

D

-

P

-

T

G

G

S

K

A

A

P

A

A

A

D

D

-

E

F

L

P

E

G

G

L

L

F

F

M

V

T

P

L
x
V

D
|
D

V
|
V

R

S

D

E

E

Q

A

E

Q

A

V

V

Q

D

Q

N

V

L

M

F

Q

D

E

T

V

A

I

A

S

S

R

T

F

F

G

G

R

R

I

V

D

D

V

I

L

A

V

F

N

N

A
x
N

A

A

G

G

V

I

A

S

-

P

D

E

Q

D

G

D

S

L

V

I

T

E

Q

N

T

T

T

D

T

L

A

P

N

A

W

W

Q

Q

R

R

V

V

M

Q

D

D

I

I

N

N

L

L

T

K

G

S

S

V

M

Y

L

L

T

S

S

C

K

R

Y

A

A

A

L

L

A

R

S

H

M

M

V

V

E

P

Q

A

R

G

N

K

G

G

S

S

I

I

N

N

V
x
T

G

A

S
|
S

I

F

F

V

G

A

L

V

Q

M

G

G

-

S

C

A

D

T

G

S

N
x
Q

V

I

A

S

Y
|
Y

N

T

V

A

S

S

K
|
K

G

G

I

V

N

L

Q

A

L

M

T

S

R

R

S

E

M

L

A

G

I

V

D

Q

Y

Y

G

A

Y

R

A

Q

N

G

I

I

R

R

V

V

N

N

G

A

L

L

C

C

P
|
P

G

G

L
x
P

I
x
V

E

N

T

T

P

P

M

L

T

L

S

Q

M

E

V

L

R

F

D

A

N

K

D

D

A

P

F

E

H

R

A

A

F

A

F

R

A

R

S

L

Q

V

H

H

M

I

-

P

L

L

N

G

R

R

S

F

G

A

Q

E

P

P

E

E

V

L

A

A

N

A

V

A

A

V

L

A

F

F

L

L

A

A

S

S

D

D

E

D

A

A

S

S

F

F

V

I

S

T

G

G

Q

S

M

T

I

F

A

L

V

V

D

D

G

G

F

I

S

S

A

S

active site: G21 (= G17), S143 (= S132), Q154 (≠ N142), Y157 (= Y145), K161 (= K149)
binding nicotinamide-adenine-dinucleotide: G17 (= G13), A19 (= A15), S20 (= S16), G21 (= G17), I22 (= I18), D41 (= D37), I42 (= I38), V61 (≠ L52), D62 (= D53), V63 (= V54), N89 (≠ A80), T141 (≠ V130), Y157 (= Y145), K161 (= K149), P187 (= P175), P189 (≠ L177), V190 (≠ I178)

4nbtA Crystal structure of fabg from acholeplasma laidlawii (see paper)
42% identity, 95% coverage: 3:237/248 of query aligns to 2:237/239 of 4nbtA

query
sites
4nbtA

R

K

L

L

Q

E

N

G

K

K

V

V

A

A

V

V

V

I

T

T

G
|
G

G

G

A

A

S
x
K

G
|
G

I
x
L

G

G

L

Q

A

A

C

I

V

A

R

L

R

A

F

Y

S

A

A

E

E

E

G

G

A

A

Q

K

V

V

I

I

G

A

L

G

D
|
D

I
x
L

G

G

S

D

A

L

P

T

A

Y

D

S

F

H

P

P

G

N

L

V

F

E

-

G

M

M

T

Y

L
|
L

D
x
N

V
|
V

R

T

D

D

E

V

A

T

Q

G

V

V

Q

E

Q

K

V

F

M

Y

Q

Q

E

S

V

V

I

I

S

D

R

K

F

Y

G

G

R

K

I

I

D

D

V

I

L

L

V

V

N

N

A
x
N

A
|
A

G
|
G

V

I

A

T

D

K

Q

D

G

A

S

M

V

T

T

R

Q

K

T

M

T

T

T

E

A

A

N

Q

W

W

Q

D

R

A

V

V

M

I

D

D

I

V

N

N

L

L

T

K

G

G

S

V

M

F

L

N

T

L

S

T

K

R

Y

L

A

V

L

G

A

P

S

Q

M

M

V

Q

E

T

Q

N

R

G

N

Y

G

G

S

S

I

I

N

N

V
x
I

G

S

S
|
S

I

V

F

V

G

G

L

V

Q

F

G

G

C

N

D

I

G

G

N

Q

V

A

A

N

Y
|
Y

N

A

V

A

S

T

K
|
K

G

A

G

G

I

V

N

I

Q

G

L

L

T

T

R

M

S

T

M

W

A

A

I

K

D

E

Y

F

G

A

Y

L

-

K

-

G

A

A

N

N

I

V

R

R

V

V

N

N

G

A

L

I

C

A

P
|
P

G
|
G

L

Y

I
|
I

E

M

T
|
T

P

D

M

I

T

L

S

K

M

T

V

V

R

P

D

Q

N

D

D

-

A

-

F

L

H

L

A

D

F

K

F

F

A

A

S

A

Q

L

H

T

M

M

L

L

N

N

R

R

S

L

G

G

Q

Q

P

P

E

E

V

I

A

A

N

K

V

V

A

A

L

L

F

F

L

L

A

A

S

S

D

D

E

D

A

A

S

S

F

Y

V

V

S

T

G

G

Q

Q

M

T

I

I

A

N

V

V

D

N

G

G

F

M

active site: G16 (= G17), S132 (= S132), Y145 (= Y145), K149 (= K149)
binding nicotinamide-adenine-dinucleotide: G12 (= G13), K15 (≠ S16), G16 (= G17), L17 (≠ I18), D36 (= D37), L37 (≠ I38), L52 (= L52), N53 (≠ D53), V54 (= V54), N80 (≠ A80), A81 (= A81), G82 (= G82), I130 (≠ V130), S132 (= S132), Y145 (= Y145), K149 (= K149), P177 (= P175), G178 (= G176), I180 (= I178), T182 (= T180)

5itvD Crystal structure of bacillus subtilis bacc dihydroanticapsin 7- dehydrogenase in complex with nadh (see paper)
39% identity, 95% coverage: 4:239/248 of query aligns to 5:226/227 of 5itvD

query
sites
5itvD

L

L

Q

T

N

D

K

K

V

T

A

V

V

L

V

I

T

T

G
|
G

G

G

A

A

S
|
S

G
|
G

I
|
I

G

G

L

Y

A

A

C

A

V

V

R

Q

R

A

F

F

S

L

A

G

E

Q

G

Q

A

A

Q

N

V

V

I

V

G

V

L

A

D
|
D

I
|
I

G

D

S

E

A

A

P

Q

A

G

D

E

F

A

-

M

-

V

-

R

-

K

-

E

-

N

-

D

P

R

G

L

L

H

F

F

M

V

T

Q

L
x
T

D
|
D

V
x
I

R

T

D

D

E

E

A

A

Q

A

V

C

Q

Q

Q

H

V

A

M

V

Q

E

E

S

V

A

I

V

S

H

R

T

F

F

G

G

R

G

I

L

D

D

V

V

L

L

V

I

N

N

A
x
N

A

A

G

G

V

I

A

E

D

I

Q

V

G

A

S

P

V

I

T

H

Q

E

T

M

T

E

T

L

A

S

N

D

W

W

Q

N

R

K

V

V

M

L

D

Q

I

V

N

N

L

L

T

T

G

G

S

M

M

F

L

L

T

M

S

S

K

K

Y

H

A

A

L

L

A

K

S

H

M

M

V

L

E

A

Q

A

R

G

N

K

G

G

S

N

I

I

N

N

V
x
T

G

C

S
|
S

I

V

F

G

G

G

L

L

Q

V

G

A

C

W

D

P

G

D

N

I

V

P

A

A

Y
|
Y

N

N

V

A

S

S

K
|
K

G

G

I

V

N

L

Q

Q

L

L

T

T

R

K

S

S

M

M

A

A

I

V

D

D

Y

Y

G

A

Y

K

A

H

N

Q

I

I

R

R

V

V

N

N

G

C

L

V

C

C

P
|
P

G
|
G

L

I

I
|
I

E

D

T

T

P

L

M

-

T

-

S

-

M

-

V

-

R

-

D

-

N

-

D

-

A

-

F

-

H

-

A

-

F

-

A

-

S

-

Q

-

H

-

M

-

L

-

N

-

R

R

S

L

G

G

Q

K

P

P

E

E

V

I

A

A

N

N

V

V

A

M

L

L

F

F

L

L

A

A

S

S

D

D

E

L

A

S

S

S

F

Y

V

M

S

T

G

G

Q

S

M

A

I

I

A

T

V

A

D

D

G

G

F

Y

S

T

A

A

active site: G18 (= G17), S141 (= S132), Y154 (= Y145), K158 (= K149)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G13), S17 (= S16), G18 (= G17), I19 (= I18), D38 (= D37), I39 (= I38), T61 (≠ L52), D62 (= D53), I63 (≠ V54), N89 (≠ A80), T139 (≠ V130), S141 (= S132), Y154 (= Y145), K158 (= K149), P184 (= P175), G185 (= G176), I187 (= I178)

4nbuB Crystal structure of fabg from bacillus sp (see paper)
37% identity, 96% coverage: 1:237/248 of query aligns to 2:242/244 of 4nbuB

query
sites
4nbuB

M

M

A

S

R

R

L

L

Q

Q

N

D

K

K

V

V

A

A

V

I

T

T

G
|
G

G

A

A

A

S
x
N

G
|
G

I
|
I

G

G

L

L

A

E

C

A

V

A

R

R

R

V

F

F

S

M

A

K

E

E

G

G

A

A

Q

K

V

V

I

V

G

I

L

A

D
|
D

I
x
F

G

N

S

E

A

A

P

A

A

G

D

K

F

E

-

A

-

V

-

E

-

A

-

N

P

P

G

G

L

V

-

V

F

F

M

I

T

R

L
x
V

D
|
D

V
|
V

R

S

D

D

E

R

A

E

Q

S

V

V

Q

H

Q

R

V

L

M

V

Q

E

E

N

V

V

I

A

S

E

R

R

F

F

G

G

R

K

I

I

D

D

V

I

L

L

V

I

N

N

A
x
N

A
|
A

G
|
G

V
x
I

A

T

D

R

Q
x
D

G

S

S

M

V

L

T

S

Q
x
K

T

M

T

T

T

V

A

D

N

Q

W

F

Q

Q

R

Q

V

V

M

I

D

N

I

V

N
|
N

L

L

T

T

G

G

S

V

M

F

L

H

T

C

S

T

K

Q

Y

A

A

V

L

L

A

P

S

Y

M

M

V

A

E

E

Q

Q

R

G

N

K

G

G

S

K

I

I

N

N

V
x
T

G

S

S
|
S

I

V

F

T

G

G

L

T

Q

Y

G

G

C
x
N

D
x
V

G

G

N
x
Q

V

T

A

N

Y
|
Y

N

A

V

A

S

A

K
|
K

G

A

G

G

I

V

N

I

Q

G

L

M

T

T

R

K

S

T

M

W

A

A

I

K

D

E

Y

L

G

A

Y

R

A

K

N

G

I

I

R

N

V

V

N

N

G

A

L

V

C

A

P
|
P

G

G

L
x
F

I
x
T

E

E

T
|
T

P

A

M
|
M

T

V

S

A

M

E

V

V

R

P

D

E

N

K

D

-

A

-

F

V

H

I

A

E

F
x
K

F

M

A

K

S

A

Q

Q

H

V

M

P

L

M

N

G

R

R

S

L

G

G

Q

K

P

P

E

E

E

D

V

I

A

A

N

N

V

A

A

Y

L

L

F

F

L

L

A

A

S

S

D

H

E

E

A

S

S

D

F

Y

V

V

S

N

G

G

Q

H

M

V

I

L

A

H

V

V

D

D

G

G

F

I

active site: G18 (= G17), N111 (= N104), S139 (= S132), Q149 (≠ N142), Y152 (= Y145), K156 (= K149)
binding acetoacetyl-coenzyme a: D93 (≠ Q86), K98 (≠ Q91), S139 (= S132), N146 (≠ C139), V147 (≠ D140), Q149 (≠ N142), Y152 (= Y145), F184 (≠ L177), M189 (= M182), K200 (≠ F195)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G13), N17 (≠ S16), G18 (= G17), I19 (= I18), D38 (= D37), F39 (≠ I38), V59 (≠ L52), D60 (= D53), V61 (= V54), N87 (≠ A80), A88 (= A81), G89 (= G82), I90 (≠ V83), T137 (≠ V130), S139 (= S132), Y152 (= Y145), K156 (= K149), P182 (= P175), F184 (≠ L177), T185 (≠ I178), T187 (= T180), M189 (= M182)

2d1yA Crystal structure of tt0321 from thermus thermophilus hb8 (see paper)
41% identity, 94% coverage: 7:239/248 of query aligns to 6:238/240 of 2d1yA

query
sites
2d1yA

K

K

V

G

A

V

V

L

V

V

T

T

G
|
G

G

G

A

A

S
x
R

G
|
G

I
|
I

G

G

L

R

A

A

C

I

V

A

R

Q

R

A

F

F

S

A

A

R

E

E

G

G

A

A

Q

L

V

V

I

A

G

L

L

C

D
|
D

I
x
L

-
x
R

-

P

-

E

G

G

S

K

A

E

P

V

A

A

D

E

-

A

F

I

P

G

G

G

L

A

F

F

M

F

T

Q

L
x
V

D
|
D

V
x
L

R

E

D

D

E

E

A

R

Q

E

V

R

Q

V

Q

R

V

F

M

V

Q

E

E

E

V

A

I

A

S

Y

R

A

F

L

G

G

R

R

I

V

D

D

V

V

L

L

V

V

N

N

A
x
N

A
|
A

G
x
A

V
x
I

A

A

D

A

Q

P

G

G

S

S

V

A

T

L

Q

T

T

V

T

R

T

L

A

P

N

E

W

W

Q

R

R

R

V

V

M

L

D

E

I

V

N

N

L

L

T

T

G

A

S

P

M

M

L

H

T

L

S

S

K

A

Y

L

A

A

L

A

A

R

S

E

M

M

V

R

E

K

Q

V

R

G

N

G

G

G

S

A

I

I

I

V

N

N

V
|
V

G

A

S
|
S

I

V

F

Q

G

G

L

L

Q

F

G

A

C

E

D

Q

G

E

N
|
N

V

A

A

A

Y
|
Y

N

N

V

A

S

S

K
|
K

G

G

I

L

N

V

Q

N

L

L

T

T

R

R

S

S

M

L

A

A

I

L

D

D

Y

L

G

A

Y

P

A

L

N

R

I

I

R

R

V

V

N

N

G

A

L

V

C

A

P
|
P

G
|
G

L

A

I
|
I

E

A

T
|
T

P

E

-
x
A

-
x
V

M

L

T

E

S

A

M

I

V

A

R

R

D

R

N

D

D

-

A

-

F

-

H

-

A

-

F

-

F

W

A

E

S

D

Q

L

H

H

M

A

L

L

N

R

R

R

S

L

G

G

Q

K

P

P

E

E

V

V

A

A

N

E

V

A

A

V

L

L

F

F

L

L

A

A

S

S

D

E

E

K

A

A

S

S

F

F

V

I

S

T

G

G

Q

A

M

I

I

L

A

P

V

V

D

D

G

G

F

M

S

T

A

A

active site: G16 (= G17), S135 (= S132), N145 (= N142), Y148 (= Y145), K152 (= K149)
binding nicotinamide-adenine-dinucleotide: G12 (= G13), R15 (≠ S16), I17 (= I18), D36 (= D37), L37 (≠ I38), R38 (vs. gap), V55 (≠ L52), D56 (= D53), L57 (≠ V54), N83 (≠ A80), A84 (= A81), A85 (≠ G82), I86 (≠ V83), V133 (= V130), S135 (= S132), Y148 (= Y145), K152 (= K149), P178 (= P175), G179 (= G176), I181 (= I178), T183 (= T180), A185 (vs. gap), V186 (vs. gap)

1nfqA Rv2002 gene product from mycobacterium tuberculosis (see paper)
39% identity, 96% coverage: 3:240/248 of query aligns to 3:240/244 of 1nfqA

query
sites
1nfqA

R

R

L

L

Q

T

N

G

K

K

V

V

A

A

V

L

V

V

T

S

G

G

A

A

S
x
R

G
|
G

I
x
M

G

G

L

A

A

S

C

H

V

V

R

R

R

A

F

M

S

V

A

A

E

E

G

G

A

A

Q

K

V

V

I

V

G

F

L

G

D
|
D

I

I

G
x
L

S

D

A

E

P

E

A

G

D

K

F

A

P

M

G

A

L

A

-

E

-

L

-

A

-

D

-

A

-

R

F

Y

M

V

T

H

L
|
L

D
|
D

V
|
V

R

T

D

Q

E

P

A

A

Q

Q

V

W

Q

K

Q

A

V

A

M

V

Q

D

E

T

V

A

I

V

S

T

R

A

F

F

G

G

R

G

I

L

D

H

V

V

L

L

V

V

N

N

A
x
N

A
|
A

G

G

V

I

A
x
L

D

N

Q

I

G

G

S

T

V

I

T

E

Q

D

T

Y

T

A

T

L

A

T

N

E

W

W

Q

Q

R

R

V

I

M

L

D

D

I

V

N

N

L

L

T

T

G

G

S

V

M

F

L

L

T

G

S

I

K

R

Y

A

A

V

L

V

A

K

S

P

M

M

V

K

E

E

Q

A

R

G

N

R

G

G

S

S

I

I

N

N

V
x
I

G

S

S
|
S

I

I

F
x
E

G

G

L

L

Q

A

G

G

C

T

D

V

G

A

N
x
C

V

H

A

G

Y
|
Y

N

T

V

A

S

T

K
|
K

G

F

G

A

I

V

N

R

Q

G

L

L

T

T

R

K

S

S

M

T

A

A

I

L

D

E

Y

L

G

G

Y

P

A

S

N

G

I

I

R

R

V

V

N

N

G

S

L

I

C

H

P
|
P

G

G

L

L

I
x
V

E

K

T
|
T

P
|
P

M
|
M

T
|
T

S

D

M

W

V
|
V

R

P

D

E

N

-

D

D

A
x
I

F
|
F

H

-

A

-

F

-

A

-

S

-

Q

Q

H

T

M

A

L

L

N

G

R

R

S

A

G

A

Q

E

P

P

E

V

E

E

V

V

A

S

N

N

V

L

A

V

L

V

F

Y

L

L

A

A

S

S

D

D

E

E

A

S

S

S

F

Y

V

S

S

T

G

G

Q

A

M

E

I

F

A

V

V

V

D

D

G

G

F

T

S

V

A

A

G

G

active site: G17 (= G17), S139 (= S132), Y152 (= Y145), K156 (= K149)
binding Androsterone: L91 (≠ A84), E141 (≠ F134), C149 (≠ N142), Y152 (= Y145), V193 (= V186), I197 (≠ A191), F198 (= F192)
binding 1,4-dihydronicotinamide adenine dinucleotide: R16 (≠ S16), G17 (= G17), M18 (≠ I18), D37 (= D37), L39 (≠ G39), L59 (= L52), D60 (= D53), V61 (= V54), N87 (≠ A80), A88 (= A81), I137 (≠ V130), S139 (= S132), Y152 (= Y145), K156 (= K149), P182 (= P175), V185 (≠ I178), T187 (= T180), P188 (= P181), M189 (= M182), T190 (= T183)

1nffA Crystal structure of rv2002 gene product from mycobacterium tuberculosis (see paper)
39% identity, 96% coverage: 3:240/248 of query aligns to 3:240/244 of 1nffA

query
sites
1nffA

R

R

L

L

Q

T

N

G

K

K

V

V

A

A

V

L

V

V

T

S

G
|
G

G

G

A

A

S
x
R

G
|
G

I
x
M

G

G

L

A

A

S

C

H

V

V

R

R

R

A

F

M

S

V

A

A

E

E

G

G

A

A

Q

K

V

V

I

V

G

F

L

G

D
|
D

I
|
I

G
x
L

S

D

A

E

P

E

A

G

D

K

F

A

P

M

G

A

L

A

-

E

-

L

-

A

-

D

-

A

-

R

F

Y

M

V

T

H

L
|
L

D
|
D

V
|
V

R

T

D

Q

E

P

A

A

Q

Q

V

W

Q

K

Q

A

V

A

M

V

Q

D

E

T

V

A

I

V

S

T

R

A

F

F

G

G

R

G

I

L

D

H

V

V

L

L

V

V

N

N

A
x
N

A
|
A

G
|
G

V
x
I

A

L

D

N

Q

I

G

G

S

T

V

I

T

E

Q

D

T

Y

T

A

T

L

A

T

N

E

W

W

Q

Q

R

R

V

I

M

L

D

D

I

V

N

N

L

L

T

T

G

G

S

V

M

F

L

L

T

G

S

I

K

R

Y

A

A

V

L

V

A

K

S

P

M

M

V

K

E

E

Q

A

R

G

N

R

G

G

S

S

I

I

N

N

V
x
I

G

S

S
|
S

I

I

F

E

G

G

L

L

Q

A

G

G

C

T

D

V

G

A

N

C

V

H

A

G

Y
|
Y

N

T

V

A

S

T

K
|
K

G

F

G

A

I

V

N

R

Q

G

L

L

T

T

R

K

S

S

M

T

A

A

I

L

D

E

Y

L

G

G

Y

P

A

S

N

G

I

I

R

R

V

V

N

N

G

S

L

I

C

H

P
|
P

G

G

L

L

I
x
V

E

K

T
|
T

P
|
P

M
|
M

T
|
T

S

D

M

W

V

V

R

P

D

E

N

-

D

D

A

I

F

F

H

-

A

-

F

-

A

-

S

-

Q

Q

H

T

M

A

L

L

N

G

R

R

S

A

G

A

Q

E

P

P

E

V

E

E

V

V

A

S

N

N

V

L

A

V

L

V

F

Y

L

L

A

A

S

S

D

D

E

E

A

S

S

S

F

Y

V

S

S

T

G

G

Q

A

M

E

I

F

A

V

V

V

D

D

G

G

F

T

S

V

A

A

G

G

active site: G17 (= G17), S139 (= S132), Y152 (= Y145), K156 (= K149)
binding nicotinamide-adenine-dinucleotide: G13 (= G13), R16 (≠ S16), G17 (= G17), M18 (≠ I18), D37 (= D37), I38 (= I38), L39 (≠ G39), L59 (= L52), D60 (= D53), V61 (= V54), N87 (≠ A80), A88 (= A81), G89 (= G82), I90 (≠ V83), I137 (≠ V130), S139 (= S132), Y152 (= Y145), K156 (= K149), P182 (= P175), V185 (≠ I178), T187 (= T180), P188 (= P181), M189 (= M182), T190 (= T183)

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)
39% identity, 96% coverage: 3:240/248 of query aligns to 4:241/260 of P9WGT1

query
sites
P9WGT1

R

R

L

L

Q
x
I

N

G

K

K

V

V

A

A

V

L

V

V

T

S

G

G

A

A

S
x
R

G
|
G

I
x
M

G

G

L

A

A

S

C

H

V

V

R

R

R

A

F

M

S

V

A

A

E

E

G

G

A

A

Q

K

V

V

I

V

G

F

L

G

D
|
D

I

I

G

L

S

D

A

E

P

E

A

G

D

K

F

A

P
x
V

G

A

L

A

-

E

-

L

-

A

-

D

-

A

-

R

F

Y

M

V

T

H

L

L

D
|
D

V
|
V

R

T

D

Q

E

P

A

A

Q

Q

V

W

Q
x
T

Q

A

V

A

M

V

Q

D

E

T

V

A

I

V

S

T

R

A

F

F

G

G

R

G

I

L

D

H

V

V

L

L

V

V

N

N

A
x
N

A

A

G

G

V

I

A

L

D

N

Q

I

G

G

S

T

V

I

T

E

Q

D

T

Y

T

A

T

L

A

T

N

E

W

W

Q

Q

R

R

V

I

M

L

D

D

I

V

N

N

L

L

T

T

G

G

S

V

M

F

L

L

T

G

S

I

K

R

Y

A

A

V

L

V

A

K

S

P

M

M

V

K

E

E

Q

A

R

G

N

R

G

G

S

S

I

I

N

N

V

I

G

S

S
|
S

I

I

F

E

G

G

L

L

Q

A

G

G

C

T

D

V

G

A

N

C

V

H

A

G

Y
|
Y

N

T

V

A

S

T

K
|
K

G

F

G

A

I

V

N

R

Q

G

L

L

T

T

R

K

S

S

M

T

A

A

I

L

D

E

Y

L

G

G

Y

P

A

S

N

G

I

I

R

R

V

V

N

N

G

S

L

I

C

H

P
|
P

G
|
G

L
|
L

I
x
V

E
x
K

T
|
T

P
|
P

M
|
M

T
|
T

S

D

M

W

V

V

R

P

D

E

N

-

D

D

A

I

F

F

H

-

A

-

F

-

A

-

S

-

Q

Q

H

T

M

A

L

L

N

G

R

R

S

A

G

A

Q

E

P

P

E

V

E

E

V

V

A

S

N

N

V

L

A

V

L

V

F

Y

L

L

A

A

S

S

D

D

E

E

A

S

S

S

F

Y

V

S

S

T

G

G

Q

A

M

E

I

F

A

V

V

V

D

D

G

G

F

T

S

V

A

A

G

G

I6 (≠ Q5) mutation to T: Maximal improvement in solubility; when associated with M-47 and K-69.
RGM 17:19 (≠ SGI 16:18) binding
D38 (= D37) binding
V47 (≠ P46) mutation to M: Maximal improvement in solubility; when associated with T-6 and K-69.
DV 61:62 (= DV 53:54) binding
T69 (≠ Q61) mutation to K: Maximal improvement in solubility; when associated with T-6 and M-47.
N88 (≠ A80) binding
S140 (= S132) mutation to A: Complete loss of both oxidation of androsterone and reduction of progesterone; when associated with T6; M-47 and K-69.
Y153 (= Y145) binding ; mutation to F: Complete loss of both oxidation of androsterone and reduction of progesterone; when associated with T6; M-47 and K-69.
K157 (= K149) binding
183:191 (vs. 175:183, 78% identical) binding

2dtxA Structure of thermoplasma acidophilum aldohexose dehydrogenase (aldt) in complex with d-mannose (see paper)
35% identity, 95% coverage: 4:238/248 of query aligns to 5:246/255 of 2dtxA

query
sites
2dtxA

L

L

Q

R

N

D

K

K

V

V

A

V

V

I

V

V

T

T

G

G

G

A

A

S

S

M

G
|
G

I

I

G

G

L

R

A

A

C

I

V

A

R

E

R

R

F

F

S

V

A

D

E

E

G

G

A

S

Q

K

V

V

I

I

G

D

L

L

D

S

I

I

G

H

S

D

A

-

P

P

A

G

D

E

F

A

P

K

G

Y

L

D

F

H

M

I

T

E

L

C

D

D

V

V

R

T

D

N

E

P

A

D

Q

Q

V

V

Q

K

Q

A

V

S

M

I

Q

D

E

H

V

I

I

F

S

K

R

E

F

Y

G

G

R

S

I

I

D

S

V

V

L

L

V

V

N

N

A

N

A

A

G

G

V

I

A

E

D

S

Q

Y

G

G

S

K

V

I

T

E

Q

S

T

M

T

S

T

M

A

G

N

E

W

W

Q

R

R

R

V

I

M

I

D

D

I

V

N

N

L

L

T

F

G

G

S

Y

M

Y

L

Y

T

A

S

S

K

K

Y

F

A

A

L

I

A

P

S

Y

M

M

V

I

E

R

Q

S

R

R

N

D

G

P

S

S

I

I

I

V

N

N

V

I

G

S

S
|
S

I
x
V

F
x
Q

G

A

L

S

Q

I

G

I

C

T

D

K

G

N

N

A

V

S

A

A

Y
|
Y

N

V

V

T

S
|
S

K
|
K

G

H

G

A

I

V

N

I

Q

G

L

L

T

T

R

K

S

S

M

I

A

A

I

L

D

D

Y

Y

G

A

Y

-

A

P

N

L

I

L

R

R

V

C

N

N

G

A

L

V

C

C

P

P

G
x
A

L
x
T

I

I

E

D

T

T

P

P

M

L

T

V

S

R

M

K

V

A

R

A

D

E

-

L

-

E

-

V

-

G

N

S

D

D

A

P

F

M

H

R

-

I

-

E

-

K

-

I

A

S

F

E

F

W

A

G

S

H

Q

E

H

H

M

P

L

M

N

Q

R

R

S

I

G

G

Q

K

P

P

E

Q

E

E

V

V

A

A

N

S

V

A

A

V

L

A

F

F

L

L

A

A

S

S

D

R

E

E

A

A

S

S

F

F

V

I

S

T

G

G

Q

T

M

C

I

L

A

Y

V

V

D

D

G

G

F

L

S

S

active site: G18 (= G17), S132 (= S132), Y145 (= Y145), S148 (= S148), K149 (= K149)
binding beta-D-mannopyranose: V133 (≠ I133), Q134 (≠ F134), Y145 (= Y145), A175 (≠ G176), T176 (≠ L177)

2dteA Structure of thermoplasma acidophilum aldohexose dehydrogenase (aldt) in complex with nadh (see paper)
35% identity, 95% coverage: 4:238/248 of query aligns to 5:246/255 of 2dteA

query
sites
2dteA

L

L

Q

R

N

D

K

K

V

V

A

V

V

I

V

V

T

T

G
|
G

G

A

A
x
S

S
x
M

G
|
G

I
|
I

G

G

L

R

A

A

C

I

V

A

R

E

R

R

F

F

S

V

A

D

E

E

G

G

A

S

Q

K

V

V

I

I

G

D

L

L

D
x
S

I
|
I

G

H

S

D

A

-

P

P

A

G

D

E

F

A

P

K

G

Y

L

D

F

H

M

I

T

E

L
x
C

D
|
D

V
|
V

R

T

D

N

E

P

A

D

Q

Q

V

V

Q

K

Q

A

V

S

M

I

Q

D

E

H

V

I

I

F

S

K

R

E

F

Y

G

G

R

S

I

I

D

S

V

V

L

L

V

V

N

N

A
x
N

A
|
A

G

G

V

I

A

E

D

S

Q

Y

G

G

S

K

V

I

T

E

Q

S

T

M

T

S

T

M

A

G

N

E

W

W

Q

R

R

R

V

I

M

I

D

D

I

V

N

N

L

L

T

F

G

G

S

Y

M

Y

L

Y

T

A

S

S

K

K

Y

F

A

A

L

I

A

P

S

Y

M

M

V

I

E

R

Q

S

R

R

N

D

G

P

S

S

I

I

I

V

N

N

V
x
I

G

S

S
|
S

I

V

F

Q

G

A

L

S

Q

I

G

I

C

T

D

K

G

N

N

A

V

S

A

A

Y
|
Y

N

V

V

T

S
|
S

K
|
K

G

H

G

A

I

V

N

I

Q

G

L

L

T

T

R

K

S

S

M

I

A

A

I

L

D

D

Y

Y

G

A

Y

-

A

P

N

L

I

L

R

R

V

C

N

N

G

A

L

V

C

C

P
|
P

G
x
A

L
x
T

I
|
I

E

D

T
|
T

P
|
P

M
x
L

T
x
V

S

R

M

K

V

A

R

A

D

E

-

L

-

E

-

V

-

G

N

S

D

D

A

P

F

M

H

R

-

I

-

E

-

K

-

I

A

S

F

E

F

W

A

G

S

H

Q

E

H

H

M

P

L

M

N

Q

R

R

S

I

G

G

Q

K

P

P

E

Q

E

E

V

V

A

A

N

S

V

A

A

V

L

A

F

F

L

L

A

A

S

S

D

R

E

E

A

A

S

S

F

F

V

I

S

T

G

G

Q

T

M

C

I

L

A

Y

V

V

D

D

G

G

F

L

S

S

active site: G18 (= G17), S132 (= S132), Y145 (= Y145), S148 (= S148), K149 (= K149)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G13), S16 (≠ A15), M17 (≠ S16), G18 (= G17), I19 (= I18), S38 (≠ D37), I39 (= I38), C52 (≠ L52), D53 (= D53), V54 (= V54), N80 (≠ A80), A81 (= A81), I130 (≠ V130), S132 (= S132), Y145 (= Y145), K149 (= K149), P174 (= P175), A175 (≠ G176), T176 (≠ L177), I177 (= I178), T179 (= T180), P180 (= P181), L181 (≠ M182), V182 (≠ T183)

7pcsB Structure of the heterotetrameric sdr family member bbscd (see paper)
36% identity, 95% coverage: 4:238/248 of query aligns to 2:243/247 of 7pcsB

query
sites
7pcsB

L

I

Q

Q

N

N

K

R

V

V

A

A

V

L

V

I

T

T

G
|
G

G

S

A

A

S

S

G

G

I
x
M

G

G

L

K

A

Q

C

T

V

A

R

L

R

R

F

F

S

A

A

E

E

Q

G

G

A

A

Q

A

V

V

I

V

G

I

L

N

D
|
D

I
|
I

G

D

S

A

A

E

P

K

A

V

-

R

-

A

-

T

-

V

-

D

D

E

F

F

P

S

G

A

-

R

-

G

-

H

-

R

-

V

L

L

F

G

M

A

T

V

L

A

D

D

V
x
I

R

G

D

N

E

K

A

A

Q

A

V

V

Q

D

Q

G

V

M

M

V

Q

K

E

Q

V

T

I

I

S

D

R

A

F

F

G

G

R

R

I

I

D

D

V

I

L

L

V

V

N

N

A
x
N

A

A

G
|
G

V

M

A

E

D

R

Q

A

G

G

S

A

V

L

T

R

Q

K

T

L

T

S

T

E

A

A

N

D

W

W

Q

D

R

V

V

T

M

I

D

N

I

V

N

N

L

L

T

K

G

G

S

T

M

F

L

L

T

C

S

T

K

Q

Y

A

A

V

L

H

A

G

S

H

M

M

V

V

E

E

Q

N

R

K

N

H

G

G

S

R

I

I

I

V

N

N

V
x
I

G

A

S
|
S

I

R

F

A

G

W

L

L

Q

G

G

G

C

A

D

-

G

G

N

Q

V

T

A

P

Y
|
Y

N

S

V

S

S

A

K
|
K

G

A

G

G

I

V

N

V

Q

G

L

M

T

T

R

R

S

A

M

L

A

A

I

I

D

E

Y

L

G

G

Y

R

A

A

N

G

I

I

R

T

V

V

N

N

G

C

L

V

C

A

P

P

G

G

L

L

I
|
I

E

H

T

T

P

P

M

M

T

W

S

D

M

E

V

L

R

P

D

E

N

K

D

D

A

-

F

-

H

Q

A

Q

F

F

F

L

A

L

S

S

Q

R

H

Q

M

P

L

T

N

G

R

K

S

L

G

G

Q

E

P

P

E

D

V

I

A

A

N

N

V

T

A

L

L

L

F

F

L

L

A

A

S

D

D

D

E

D

A

S

S

G

F

F

V

V

S

T

G

G

Q

Q

M

V

I

L

A

Y

V

V

D

C

G

G

F

R

S

S

binding nicotinamide-adenine-dinucleotide: G11 (= G13), M16 (≠ I18), D35 (= D37), I36 (= I38), I62 (≠ V54), N88 (≠ A80), G90 (= G82), I138 (≠ V130), S140 (= S132), Y152 (= Y145), K156 (= K149), I185 (= I178)

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: 4:238/248 of query aligns to 3:244/248 of Q9KJF1

query
sites
Q9KJF1

L

I

Q

Q

N

N

K

R

V

V

A

A

V

L

V

I

T

T

G

G

G

S

A

A

S
|
S

G

G

I

M

G

G

L

K

A

Q

C

T

V

A

R

L

R

R

F

F

S

A

A

E

E

Q

G

G

A

A

Q

A

V

V

I

V

G

I

L

N

D
|
D

I

I

G

D

S

A

A

E

P

K

A

V

-

R

-

A

-

T

-

V

-

D

D

E

F

F

P

S

G

A

-

R

-

G

-

H

-

R

-

V

L

L

F

G

M

A

T

V

L

A

D
|
D

V
x
I

R

G

D

N

E

K

A

A

Q

A

V

V

Q

D

Q

G

V

M

M

V

Q

K

E

Q

V

T

I

I

S

D

R

A

F

F

G

G

R

R

I

I

D

D

V

I

L

L

V

V

N

N

A
x
N

A

A

G

G

V

M

A

E

D

R

Q

A

G

G

S

A

V

L

T

R

Q

K

T

L

T

S

T

E

A

A

N

D

W

W

Q

D

R

V

V

T

M

I

D

N

I

V

N

N

L

L

T

K

G

G

S

T

M

F

L

L

T

C

S

T

K

Q

Y

A

A

V

L

H

A

G

S

H

M

M

V

V

E

E

Q

N

R

K

N

H

G

G

S

R

I

I

I

V

N

N

V

I

G

A

S

S

I

R

F

A

G

W

L

L

Q

G

G

G

C

A

D

-

G

G

N

Q

V

T

A

P

Y
|
Y

N

S

V

S

S

A

K
|
K

G

A

G

G

I

V

N

V

Q

G

L

M

T

T

R

R

S

A

M

L

A

A

I

I

D

E

Y

L

G

G

Y

R

A

A

N

G

I

I

R

T

V

V

N

N

G

C

L

V

C

A

P

P

G

G

L

L

I

I

E

H

T

T

P

P

M

M

T

W

S

D

M

E

V

L

R

P

D

E

N

K

D

D

A

-

F

-

H

Q

A

Q

F

F

F

L

A

L

S

S

Q

R

H

Q

M

P

L

T

N

G

R

K

S

L

G

G

Q

E

P

P

E

D

V

I

A

A

N

N

V

T

A

L

L

L

F

F

L

L

A

A

S

D

D

D

E

D

A

S

S

G

F

F

V

V

S

T

G

G

Q

Q

M

V

I

L

A

Y

V

V

D

C

G

G

F

R

S

S

S15 (= S16) binding
D36 (= D37) binding
D62 (= D53) binding
I63 (≠ V54) binding
N89 (≠ A80) binding
Y153 (= Y145) binding
K157 (= K149) binding

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

7xqmB Indel-mutant short chain dehydrogenase bound to sah (see paper)
40% identity, 96% coverage: 1:239/248 of query aligns to 1:244/253 of 7xqmB

query
sites
7xqmB

M

M

A

G

R

L

L

F

Q

A

N

G

K

K

V

G

A

V

V

L

V

V

T

T

G
|
G

G

G

A

-

S

-

G

G

I
|
I

G

G

L

-

A

A

C

I

V

A

R

Q

R

A

F

F

S

A

A

R

E

E

G

G

A

A

Q

L

V

V

I

A

G

L

L

C

D
|
D

I
x
L

-
x
R

-

P

-

E

G

G

S

K

A

E

P

V

A

A

D

E

-

A

F

I

P

G

G

G

L

A

F

F

M

F

T

Q

L
x
V

D

D

V
x
L

R

E

D

D

E

E

A

R

Q

E

V

R

Q

V

Q

R

V

F

M

V

Q

E

E

E

V

A

I

A

S

Y

R

A

F

L

G

G

R

R

I

V

D

D

V

V

L

L

V

V

N

N

A
x
N

A
|
A

G
x
A

V

I

A

A

D

A

Q

P

G

G

S

S

V

A

T

L

Q

T

T

V

T

R

T

L

A

P

N

E

W

W

Q

R

R

R

V

V

M

L

D

E

I

V

N

N

L

L

T

T

G

A

S

P

M

M

L

H

T

L

S

S

K

A

Y

L

A

A

L

A

A

R

S

E

M

M

V

R

E

K

Q

V

R

G

N

G

G

G

S

A

I

I

I

V

N

N

V

V

G

A

S

S

I

V

F

Q

G

G

L

L

Q

F

G

A

C

E

D

Q

G

E

N

N

V

A

A

A

Y
|
Y

N

N

V

A

S

S

K

K

G

G

I

L

N

V

Q

N

L

L

T

T

R

R

S

S

M

L

A

A

I

L

D

D

Y

L

G

A

Y

P

A

L

N

R

I

I

R

R

V

V

N

N

G

A

L

V

C

A

P

P

G

G

L

A

I

I

E

A

T

T

P

E

M

A

T

V

-

L

-

E

-

A

-

I

S

A

M

L

V

S

R

P

D

D

N

P

D

E

A

R

F

T

H

R

A

R

F

D

F

W

A

E

S

D

Q

L

H

H

M

A

L

L

N

R

R

R

S

L

G

G

Q

K

P

P

E

E

V

V

A

A

N

E

V

A

A

V

L

L

F

F

L

L

A

A

S

S

D

E

E

K

A

A

S

S

F

F

V

I

S

T

G

G

Q

A

M

I

I

L

A

P

V

V

D

D

G

G

F

M

S

T

A

A

binding s-adenosyl-l-homocysteine: G13 (= G13), I16 (= I18), D34 (= D37), L35 (≠ I38), R36 (vs. gap), V53 (≠ L52), L55 (≠ V54), N81 (≠ A80), A82 (= A81), A83 (≠ G82), Y146 (= Y145)

6ixmC Crystal structure of the ketone reductase chkred20 from the genome of chryseobacterium sp. Ca49 complexed with NAD (see paper)
35% identity, 95% coverage: 4:239/248 of query aligns to 3:247/248 of 6ixmC

query
sites
6ixmC

L

L

Q

D

N

N

K

K

V

V

A

A

V

L

V

V

T

T

G
|
G

G

A

A

G

S
|
S

G
|
G

I
|
I

G

G

L

L

A

A

C

V

V

A

R

H

R

S

F

Y

S

A

A

K

E

E

G

G

A

A

Q

K

V

V

I

I

G

V

L

S

D
|
D

I
|
I

G

N

-

E

-

D

-

H

-

G

-

N

S

K

A

A

P

V

A

E

D

D

F

I

P

K

G

A

L

Q

-

G

-

E

-

A

-

S

F

F

M

V

T

K

L
x
A

D
|
D

V
x
T

R

S

D

N

E

P

A

E

Q

E

V

V

Q

E

Q

A

V

L

M

V

Q

K

E

R

V

T

I

V

S

E

R

I

F

Y

G

G

R

R

I

L

D

D

V

I

L

A

V

C

N

N

A
x
N

A
|
A

G

G

V

I

A

G

-

G

D

E

Q

Q

G

A

S

L

V

A

T

G

Q

D

T

Y

T

G

T

L

A

D

N

S

W

W

Q

R

R

K

V

V

M

L

D

S

I

I

N

N

L

L

T

D

G

G

S

V

M

F

L

Y

T

G

S

C

K

K

Y

Y

A

E

L

L

A

E

S

Q

M

M

V

E

E

K

Q

N

R

G

N

G

G

G

S

V

I

I

I

V

N

N

V
x
M

G

A

S
|
S

I

I

F

H

G

G

L

I

Q

V

G

A

C

A

D

P

G

L

N

S

V

S

A

A

Y
|
Y

N

T

V

S

S

A

K
|
K

G

H

G

A

I

V

N

V

Q

G

L

L

T

T

R

K

S

N

M

I

A

G

I

A

D

E

Y

Y

G

G

Y

Q

A

K

N

N

I

I

R

R

V

C

N

N

G

A

L

V

C

G

P
|
P

G
x
A

L
x
Y

I
|
I

E

E

T

T

P

P

-
x
L

M

L

T

E

S

S

M

L

V

T

R

K

D

E

N

-

D

-

A

-

F

M

H

K

A

E

F

A

F

L

A

I

S

S

Q

K

H

H

M

P

L

M

N

G

R

R

S

L

G

G

Q

K

P

P

E

E

V

V

A

A

N

E

V

L

A

V

L

L

F

F

L

L

A

S

S

S

D

E

E

K

A

S

S

S

F

F

V

M

S

T

G

G

Q

G

M

Y

I

Y

A

L

V

V

D

D

G

G

F

Y

S

T

A

A

active site: G16 (= G17), S142 (= S132), Y155 (= Y145), K159 (= K149)
binding nicotinamide-adenine-dinucleotide: G12 (= G13), S15 (= S16), G16 (= G17), I17 (= I18), D36 (= D37), I37 (= I38), A61 (≠ L52), D62 (= D53), T63 (≠ V54), N89 (≠ A80), A90 (= A81), M140 (≠ V130), S142 (= S132), Y155 (= Y145), K159 (= K149), P185 (= P175), A186 (≠ G176), Y187 (≠ L177), I188 (= I178), L192 (vs. gap)

5jc8D Crystal structure of a putative short-chain dehydrogenase/reductase from burkholderia xenovorans
37% identity, 96% coverage: 3:239/248 of query aligns to 3:259/262 of 5jc8D

query
sites
5jc8D

R

R

L

L

Q

Q

N

G

K

K

V

V

A

A

V

L

V

V

T

T

G

G

G

A

A

G

S

C

-

I

-

G

-

P

-

G

-

W

G
|
G

I

N

G

G

L

R

A

A

C

I

V

A

R

V

R

R

F

F

S

A

A

E

E

E

G

G

A

A

Q

H

V

V

I

I

G

A

L

V

D

D

I

R

G

D

S

L

A

A

P

S

A

M

D

D

-

A

-

T

-

L

-

E

-

L

-

V

-

R

-

A

-

G

-

S

-

V

F

T

P

P

G

C

L

L

F

-

M

-

T

-

L

C

D

D

V

V

R

T

D

D

E

S

A

A

Q

S

V

V

Q

E

Q

R

V

L

M

V

Q

A

E

D

V

S

I

V

S

A

R

R

F

C

G

G

R

R

I

V

D

D

V

I

L

L

V

V

N

N

A

N

A

V

G

G

V

A

A

P

D

S

Q

P

G

G

S

G

V

P

T

V

Q

A

T

L

T

D

T

E

A

A

N

Q

W

W

Q

A

R

M

V

Q

M

L

D

E

I

L

N

N

L

L

T

T

G

T

S

A

M

F

L

L

T

M

S

C

K

K

Y

Y

A

V

L

L

A

P

S

V

M

M

V

E

E

Q

Q

Q

R

G

N

G

G

G

S

A

I

I

I

V

N

N

V

I

G

A

S
|
S

I

T

F

S

G

G

L

I

Q

R

G

W

C

T

D

G

-

A

G

A

N

Q

V

V

A

G

Y
|
Y

N

A

V

A

S

A

K
|
K

G

A

G

G

I

M

N

I

Q

Q

L

M

T

G

R

R

S

V

M

V

A

A

I

V

D

E

Y

Y

G

A

Y

A

A

K

N

N

I

V

R

R

V

V

N

N

G

S

L

V

C

V

P

P

G

G

L

L

I

L

E

H

T

T

P
|
P

M
|
M

-

V

-

D

T

T

S

K

M

I

V

A

R

H

D

N

N

G

D

D

A

V

F

E

H

L

A

L

F

L

F

R

A

K

S

R

Q

Q

H

A

M

R

L

I

N

P

R

M

S

P

-

F

-

M

G

G

Q

D

P

G

E

R

E

D

V

T

A

A

N

N

V

A

A

A

L

L

F

F

L

L

A

A

S

S

D

D

E

E

A

A

S

R

F

F

V

V

S

T

G

G

Q

T

M

E

I

I

A

V

V

V

D

D

G

G

F

M

S

S

A

A

active site: G22 (= G17), S147 (= S132), Y161 (= Y145), K165 (= K149)
binding magnesium ion: P197 (= P181), M198 (= M182)

Query Sequence

>PfGW456L13_2522 3-oxoacyl-[acyl-carrier protein] reductase (EC 1.1.1.100)
MARLQNKVAVVTGGASGIGLACVRRFSAEGAQVIGLDIGSAPADFPGLFMTLDVRDEAQV
QQVMQEVISRFGRIDVLVNAAGVADQGSVTQTTTANWQRVMDINLTGSMLTSKYALASMV
EQRNGSIINVGSIFGLQGCDGNVAYNVSKGGINQLTRSMAIDYGYANIRVNGLCPGLIET
PMTSMVRDNDAFHAFFASQHMLNRSGQPEEVANVALFLASDEASFVSGQMIAVDGGFSAG
RRFAPPAQ

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