SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_010440528.1 NCBI__GCF_000192475.1:WP_010440528.1 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)

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)
38% identity, 99% coverage: 3:244/244 of query aligns to 2:248/251 of H9XP47

query
sites
H9XP47

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N15 (≠ S16) binding NAD(+)
M17 (≠ I18) binding NAD(+)
D36 (≠ Q37) binding NAD(+)
D60 (= D50) binding NAD(+)
V61 (≠ F51) binding NAD(+)
N87 (= N77) binding NAD(+)
S138 (= S128) binding (R)-acetoin; binding (S)-acetoin
V139 (≠ I129) mutation to Q: Retains 50% of activity with acetoin as substrate; when associated with A-247.
S140 (≠ E130) binding (R)-acetoin
Y151 (= Y141) binding (R)-acetoin; binding (S)-acetoin; binding NAD(+)
K155 (= K145) binding NAD(+)
V184 (≠ I174) binding NAD(+)
T186 (= T176) binding NAD(+)
RDK 197:199 (≠ DDP 187:189) mutation to SEAAGKPLGYGTET: Mimics longer alpha6 helix. Retains 3% of activity with acetoin as substrate.
Q247 (≠ L243) mutation to A: Retains 10% of activity with acetoin as substrate. Retains 50% of activity with acetoin as substrate; when associated with Q-139.

6vspB Structure of serratia marcescens 2,3-butanediol dehydrogenase mutant q247a (see paper)
38% identity, 99% coverage: 3:244/244 of query aligns to 4:250/252 of 6vspB

query
sites
6vspB

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active site: G18 (= G17), S140 (= S128), Y153 (= Y141)
binding adenosine-5'-diphosphate: G14 (= G13), N17 (≠ S16), D38 (≠ Q37), W39 (≠ R38), I61 (≠ A49), D62 (= D50), V63 (≠ F51), G91 (= G79)

6vspA Structure of serratia marcescens 2,3-butanediol dehydrogenase mutant q247a (see paper)
38% identity, 99% coverage: 3:244/244 of query aligns to 2:248/251 of 6vspA

query
sites
6vspA

R

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active site: G16 (= G17), S138 (= S128), Y151 (= Y141)
binding nicotinamide-adenine-dinucleotide: G12 (= G13), N15 (≠ S16), G16 (= G17), M17 (≠ I18), D36 (≠ Q37), W37 (≠ R38), W37 (≠ R38), A38 (≠ G39), I59 (≠ A49), D60 (= D50), V61 (≠ F51), N87 (= N77), A88 (= A78), G89 (= G79), V90 (≠ M80), V110 (= V100), T136 (≠ I126), S138 (= S128), Y151 (= Y141), K155 (= K145), P181 (= P171), S182 (≠ G172), L183 (≠ W173), V184 (≠ I174), T186 (= T176), N187 (≠ D177), M188 (≠ L178), T189 (≠ N179)

6xewA Structure of serratia marcescens 2,3-butanediol dehydrogenase (see paper)
38% identity, 99% coverage: 3:244/244 of query aligns to 2:248/251 of 6xewA

query
sites
6xewA

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active site: G16 (= G17), S138 (= S128), Y151 (= Y141)
binding r,3-hydroxybutan-2-one: S138 (= S128), S140 (≠ E130), Y151 (= Y141)
binding s,3-hydroxybutan-2-one: S138 (= S128), Y151 (= Y141), S182 (≠ G172)
binding nicotinamide-adenine-dinucleotide: G12 (= G13), N15 (≠ S16), G16 (= G17), M17 (≠ I18), D36 (≠ Q37), W37 (≠ R38), W37 (≠ R38), A38 (≠ G39), I59 (≠ A49), D60 (= D50), V61 (≠ F51), N87 (= N77), A88 (= A78), G89 (= G79), V110 (= V100), T136 (≠ I126), S138 (= S128), Y151 (= Y141), K155 (= K145), S182 (≠ G172), L183 (≠ W173), V184 (≠ I174), T186 (= T176), N187 (≠ D177), M188 (≠ L178), T189 (≠ N179)

2d1yA Crystal structure of tt0321 from thermus thermophilus hb8 (see paper)
41% identity, 98% coverage: 4:241/244 of query aligns to 3:240/240 of 2d1yA

query
sites
2d1yA

F

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G

S

S

I

A

D

L

D

T

M

V

S

R

L

L

V

P

D

E

W

W

Q

R

R

R

N

V

L

L

T

E

V

V

N

N

L

L

T

T

A

A

P

P

F

M

L

H

L

L

I

S

K

A

A

L

A

A

L

A

P

R

H

E

L

M

R

R

K

K

T

V

K

G

G

G

-

G

S

A

I

I

V

V

N

N

I
x
V

G

A

S
|
S

I

V

E

Q

G

G

F

L

G

F

S

A

N

E

P

Q

G

E

H
x
N

T

A

A

A

Y
|
Y

C

N

A

A

S

S

K
|
K

A

G

G

G

L

L

H

V

G

N

L

L

T

T

R

R

A

S

V

L

A

A

V

L

D

D

H

L

G

A

A

P

E

L

G

R

I

I

R

R

C

V

N

N

A

A

V

V

A

A

P
|
P

G
|
G

W

A

I
|
I

D

A

T
|
T

D

E

L
x
A

N
x
V

L

L

D

E

F

A

I

I

D

A

S

-

M

-

D

-

P

-

A

-

F

-

R

R

D

D

I

W

A

E

R

D

I

L

H

H

P

A

V

L

G

R

R

R

T

L

G

G

D

K

P

P

Q

E

E

E

V

V

A

A

A

E

L

A

V

V

A

L

F

F

L

L

A

A

A

S

D

E

E

K

A

A

G

S

F

F

V

I

T

T

G

G

Q

A

V

I

Y

L

T

P

V

V

D

D

G

G

R

M

M

T

A

A

K

S

L

F

active site: G16 (= G17), S135 (= S128), N145 (≠ H138), Y148 (= Y141), K152 (= K145)
binding nicotinamide-adenine-dinucleotide: G12 (= G13), R15 (≠ S16), I17 (= I18), D36 (≠ Q37), L37 (vs. gap), R38 (= R38), V55 (≠ A49), D56 (= D50), L57 (≠ F51), N83 (= N77), A84 (= A78), A85 (≠ G79), I86 (≠ M80), V133 (≠ I126), S135 (= S128), Y148 (= Y141), K152 (= K145), P178 (= P171), G179 (= G172), I181 (= I174), T183 (= T176), A185 (≠ L178), V186 (≠ N179)

7xqmB Indel-mutant short chain dehydrogenase bound to sah (see paper)
41% identity, 100% coverage: 1:243/244 of query aligns to 1:248/253 of 7xqmB

query
sites
7xqmB

M

M

N

G

R

L

F

F

S

A

G

G

K

K

T

G

A

V

L

L

V

V

T

T

G
|
G

G

G

R

-

S

-

G

G

I
|
I

G

G

R

-

A

A

I

I

A

A

Q

Q

R

A

L

F

R

A

D

R

E

E

G

G

A

A

D

L

V

V

Y

A

T

L

A

C

Q
x
D

-
x
L

R
|
R

G

P

Q

E

D

G

D

K

D

E

F

V

P

A

S

E

-

A

-

I

-

G

-

A

-

F

F

F

H

Q

A
x
V

D

D

F
x
L

S

E

D

D

P

E

D

R

S

E

P

R

A

V

Q

R

I

F

I

V

E

E

Q

E

V

A

F

Y

D

A

A

L

G

G

Q

R

L

V

D

D

V

V

L

L

V

V

N

N

N
|
N

A
|
A

G
x
A

M

I

M

A

Q

A

E

P

A

G

S

S

I

A

D

L

D

T

M

V

S

R

L

L

V

P

D

E

W

W

Q

R

R

R

N

V

L

L

T

E

V

V

N

N

L

L

T

T

A

A

P

P

F

M

L

H

L

L

I

S

K

A

A

L

A

A

L

A

P

R

H

E

L

M

R

R

K

K

T

V

K

G

G

G

-

G

S

A

I

I

V

V

N

N

I

V

G

A

S

S

I

V

E

Q

G

G

F

L

G

F

S

A

N

E

P

Q

G

E

H

N

T

A

A

A

Y
|
Y

C

N

A

A

S

S

K

K

A

G

G

G

L

L

H

V

G

N

L

L

T

T

R

R

A

S

V

L

A

A

V

L

D

D

H

L

G

A

A

P

E

L

G

R

I

I

R

R

C

V

N

N

A

A

V

V

A

A

P

P

G

G

W

A

I

I

D

A

T

T

D

E

L

A

N

V

L

L

D

E

F

A

I

I

D

A

S

L

M

S

D

P

D

D

P

P

A

E

A

R

F

T

R

R

D

D

I

W

A

E

R

D

I

L

H

H

P

A

V

L

G

R

R

R

T

L

G

G

D

K

P

P

Q

E

E

E

V

V

A

A

A

E

L

A

V

V

A

L

F

F

L

L

A

A

A

S

D

E

E

K

A

A

G

S

F

F

V

I

T

T

G

G

Q

A

V

I

Y

L

T

P

V

V

D

D

G

G

R

M

M

T

A

A

K

S

L

F

S

M

L

M

binding s-adenosyl-l-homocysteine: G13 (= G13), I16 (= I18), D34 (≠ Q37), L35 (vs. gap), R36 (= R38), V53 (≠ A49), L55 (≠ F51), N81 (= N77), A82 (= A78), A83 (≠ G79), Y146 (= Y141)

5itvA Crystal structure of bacillus subtilis bacc dihydroanticapsin 7- dehydrogenase in complex with nadh (see paper)
38% identity, 98% coverage: 3:240/244 of query aligns to 4:255/255 of 5itvA

query
sites
5itvA

R

N

F

L

S

T

G

D

K

K

T

T

A

V

L

L

V

I

T

T

G
|
G

G

G

R

A

S
|
S

G
|
G

I
|
I

G

G

R

Y

A

A

I

A

A

V

Q

Q

R

A

L

F

R

L

D

G

E

Q

G

Q

A

A

D

N

V

V

Y

V

T

V

A

A

Q
x
D

-
x
I

-

D

-

E

-

A

-

Q

-

G

-

E

-

A

-

M

-

V

R

R

G

K

Q

E

D

N

D

D

F

R

P

L

S

H

F

F

-

V

H

Q

A
x
T

D

D

F
x
I

S

T

D

D

P

E

D

A

S

A

P

C

A

Q

Q

H

I

A

I

V

E

E

Q

S

V

A

V

V

F

H

D

T

A

F

G

G

Q

G

L

L

D

D

V

V

L

L

V

I

N

N

N
|
N

A

A

G
|
G

M

I

M

E

Q

I

E

V

A

A

S

P

I

I

D

H

D

E

M

M

S

E

L

L

V

S

D

D

W

W

Q

N

R

K

N

V

L

L

T

Q

V

V

N

N

L

L

T

T

A

G

P

M

F

F

L

L

L

M

I

S

K

K

A

H

A

A

L

L

P

K

H

H

-

M

L

L

R

A

K

A

T

G

K

K

G

G

S

N

I

I

V

I

N

N

I
x
T

G

C

S
|
S

I

V

E

G

G

G

F

L

G

V

S

A

N

W

P

P

G

D

H

I

T

P

A

A

Y
|
Y

C

N

A

A

S

S

K
|
K

A

G

G

G

L

V

H

L

G

Q

L

L

T

T

R

K

A

S

V

M

A

A

V

V

D

D

H

Y

G

A

A

K

E

H

G

Q

I

I

R

R

C

V

N

N

A

C

V

V

A

C

P
|
P

G
|
G

W
x
I

I
|
I

D

D

T

T

D

P

L

L

N

N

-

E

L

K

D

S

F

F

I

L

D

E

S

N

M

N

D

E

D

G

P

T

-

L

A

E

F

I

R

K

D

E

I

K

A

A

R

K

I

V

H

N

P

P

V

L

G

L

R

R

T

L

G

G

D

K

P

P

Q

E

E

E

V

I

A

A

A

N

L

V

V

M

A

L

F

F

L

L

A

A

A

S

D

D

E

L

A

S

G

S

F

Y

V

M

T

T

G

G

Q

S

V

A

Y

I

T

T

V

A

D

D

G

G

R

Y

M

T

A

A

K

Q

active site: G18 (= G17), S141 (= S128), Y154 (= Y141), K158 (= K145)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G13), S17 (= S16), G18 (= G17), I19 (= I18), D38 (≠ Q37), I39 (vs. gap), T61 (≠ A49), I63 (≠ F51), N89 (= N77), G91 (= G79), T139 (≠ I126), S141 (= S128), Y154 (= Y141), K158 (= K145), P184 (= P171), G185 (= G172), I186 (≠ W173), I187 (= I174)

2dtxA Structure of thermoplasma acidophilum aldohexose dehydrogenase (aldt) in complex with d-mannose (see paper)
38% identity, 94% coverage: 7:236/244 of query aligns to 8:244/255 of 2dtxA

query
sites
2dtxA

K

K

T

V

A

V

L

I

V

V

T

T

G

G

G

A

R

S

S

M

G
|
G

I

I

G

G

R

R

A

A

I

I

A

A

Q

E

R

R

L

F

R

V

D

D

E

E

G

G

A

S

D

K

V

V

-

I

-

D

Y

L

T

S

A

I

Q

H

R

D

G

P

Q

G

D

E

D

A

D

K

F

Y

P

D

S

H

F

I

H

E

A

C

D

D

F

V

S

T

D

N

P

P

D

D

S

Q

P

V

A

K

Q

A

I

S

I

I

E

D

Q

H

V

I

V

F

F

K

D

E

A

Y

G

G

Q

S

L

I

D

S

V

V

L

L

V

V

N

N

A

A

G

G

M

I

M

E

Q

S

E

Y

A

G

S

K

I

I

D

E

D

S

M

M

S

S

L

M

V

G

D

E

W

W

Q

R

R

R

N

I

L

I

T

D

V

V

N

N

L

L

T

F

A

G

P

Y

F

Y

L

Y

L

A

I

S

K

K

A

F

A

A

L

I

P

P

H

Y

L

M

R

I

K

R

T

S

K

R

G

D

-

P

S

S

I

I

V

V

N

N

I

I

G

S

S
|
S

I
x
V

E
x
Q

G

A

F

S

G

I

S

I

N

T

P

K

G

N

H

A

T

S

A

A

Y
|
Y

C

V

A

T

S
|
S

K
|
K

A

H

G

A

L

V

H

I

G

G

L

L

T

T

R

K

A

S

V

I

A

A

V

L

D

D

H

Y

G

-

A

A

E

P

G

L

I

L

R

R

C

C

N

N

A

A

V

V

A

C

P

P

G
x
A

W
x
T

I

I

D

D

T

T

D

P

L

L

-

V

-

R

N

K

L

A

D

A

F

E

I

L

D

E

S

V

M

G

D

S

D

D

P

P

A

M

A

R

F

I

R

E

R

K

D

K

I

I

A

S

R

E

I

W

-

G

-

H

-

E

H

H

P

P

V

M

G

Q

R

R

T

I

G

G

D

K

P

P

Q

Q

E

E

V

V

A

A

A

S

L

A

V

V

A

A

F

F

L

L

A

A

A

S

D

R

E

E

A

A

G

S

F

F

V

I

T

T

G

G

Q

T

V

C

Y

L

T

Y

V

V

D

D

G

G

active site: G18 (= G17), S132 (= S128), Y145 (= Y141), S148 (= S144), K149 (= K145)
binding beta-D-mannopyranose: V133 (≠ I129), Q134 (≠ E130), Y145 (= Y141), A175 (≠ G172), T176 (≠ W173)

2dteA Structure of thermoplasma acidophilum aldohexose dehydrogenase (aldt) in complex with nadh (see paper)
38% identity, 94% coverage: 7:236/244 of query aligns to 8:244/255 of 2dteA

query
sites
2dteA

K

K

T

V

A

V

L

I

V

V

T

T

G
|
G

G

A

R
x
S

S
x
M

G
|
G

I
|
I

G

G

R

R

A

A

I

I

A

A

Q

E

R

R

L

F

R

V

D

D

E

E

G

G

A

S

D

K

V

V

-

I

-

D

Y

L

T
x
S

A
x
I

Q

H

R

D

G

P

Q

G

D

E

D

A

D

K

F

Y

P

D

S

H

F

I

H

E

A
x
C

D
|
D

F
x
V

S

T

D

N

P

P

D

D

S

Q

P

V

A

K

Q

A

I

S

I

I

E

D

Q

H

V

I

V

F

F

K

D

E

A

Y

G

G

Q

S

L

I

D

S

V

V

L

L

V

V

N

N

N
|
N

A
|
A

G

G

M

I

M

E

Q

S

E

Y

A

G

S

K

I

I

D

E

D

S

M

M

S

S

L

M

V

G

D

E

W

W

Q

R

R

R

N

I

L

I

T

D

V

V

N

N

L

L

T

F

A

G

P

Y

F

Y

L

Y

L

A

I

S

K

K

A

F

A

A

L

I

P

P

H

Y

L

M

R

I

K

R

T

S

K

R

G

D

-

P

S

S

I

I

V

V

N

N

I
|
I

G

S

S
|
S

I

V

E

Q

G

A

F

S

G

I

S

I

N

T

P

K

G

N

H

A

T

S

A

A

Y
|
Y

C

V

A

T

S
|
S

K
|
K

A

H

G

A

L

V

H

I

G

G

L

L

T

T

R

K

A

S

V

I

A

A

V

L

D

D

H

Y

G

-

A

A

E

P

G

L

I

L

R

R

C

C

N

N

A

A

V

V

A

C

P
|
P

G
x
A

W
x
T

I
|
I

D

D

T
|
T

D
x
P

L
|
L

-
x
V

-

R

N

K

L

A

D

A

F

E

I

L

D

E

S

V

M

G

D

S

D

D

P

P

A

M

A

R

F

I

R

E

R

K

D

K

I

I

A

S

R

E

I

W

-

G

-

H

-

E

H

H

P

P

V

M

G

Q

R

R

T

I

G

G

D

K

P

P

Q

Q

E

E

V

V

A

A

A

S

L

A

V

V

A

A

F

F

L

L

A

A

A

S

D

R

E

E

A

A

G

S

F

F

V

I

T

T

G

G

Q

T

V

C

Y

L

T

Y

V

V

D

D

G

G

active site: G18 (= G17), S132 (= S128), Y145 (= Y141), S148 (= S144), K149 (= K145)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G13), S16 (≠ R15), M17 (≠ S16), G18 (= G17), I19 (= I18), S38 (≠ T35), I39 (≠ A36), C52 (≠ A49), D53 (= D50), V54 (≠ F51), N80 (= N77), A81 (= A78), I130 (= I126), S132 (= S128), Y145 (= Y141), K149 (= K145), P174 (= P171), A175 (≠ G172), T176 (≠ W173), I177 (= I174), T179 (= T176), P180 (≠ D177), L181 (= L178), V182 (vs. gap)

6t77A Crystal structure of klebsiella pneumoniae fabg(NADPH-dependent) NADP- complex at 1.75 a resolution (see paper)
38% identity, 95% coverage: 4:236/244 of query aligns to 3:240/244 of 6t77A

query
sites
6t77A

F

F

S

E

G

G

K

K

T

I

A

A

L

L

V

V

T

T

G
|
G

G

A

R
x
S

S
x
R

G
|
G

I

I

G

G

R

R

A

A

I

I

A

A

Q

E

R

T

L

L

R

V

D

A

E

R

G

G

A

A

D

K

V

V

Y

I

-

G

-

T

-

A

T
|
T

A

S

Q

E

R

S

G

G

Q

A

D

Q

-

A

-

I

D

S

D

D

F

Y

-

L

-

G

-

A

-

N

-

G

P

K

S

G

F

L

H

M

A
x
L

D
x
N

F
x
V

S

T

D

D

P

P

D

A

S

S

P

I

A

E

Q

S

I

V

I

L

E

E

Q

N

V

V

V

R

F

A

D

E

A

F

G

G

Q

E

L

V

D

D

V

I

L

L

V

V

N

N

A
|
A

G
|
G

M
x
I

M

T

Q

R

E

D

A

N

S

L

I

L

D

M

D

R

M

M

S

K

L

D

V

D

D

E

W

W

Q

N

R

D

N

I

L

I

T

E

V

T

N

N

L

L

T

S

A

S

P

V

F

F

L

R

L

L

I

S

K

K

A

A

A

V

L

M

-

R

P

A

H

M

L

M

R

K

K

K

T

R

K

H

G

G

S

R

I

I

V

I

N

T

I

I

G

G

S
|
S

I

V

E

V

G

G

F

T

G

M

S

G

N

N

P

A

G

G

H

Q

T

A

A

N

Y
|
Y

C

A

A

A

S

A

K

K

A

A

G

G

L

L

H

I

G

G

L

F

T

S

R

K

A

S

V

L

A

A

V

R

D

E

H

V

G

A

A

S

E

R

G

G

I

I

R

T

C

V

N

N

A

V

V

V

A

A

P

P

G

G

W

F

I

I

D

E

T

T

D

D

L

M

N

T

L

R

D

A

F

L

I

T

D

D

S

E

M

Q

D

-

P

-

A

-

F

-

R

R

R

A

D

G

I

T

A

L

R

A

I

A

H

V

P

P

V

A

G

G

R

R

T

L

G

G

D

T

P

P

Q

N

E

E

V

I

A

A

A

S

L

A

V

V

A

A

F

F

L

L

A

A

A

S

D

D

E

E

A

A

G

S

F

Y

V

I

T

T

G

G

Q

E

V

T

Y

L

T

H

V

V

D

N

G

G

active site: G16 (= G17), S138 (= S128), Y151 (= Y141)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G13), S14 (≠ R15), R15 (≠ S16), T37 (= T35), L58 (≠ A49), N59 (≠ D50), V60 (≠ F51), A87 (= A78), G88 (= G79), I89 (≠ M80)

3op4A Crystal structure of putative 3-ketoacyl-(acyl-carrier-protein) reductase from vibrio cholerae o1 biovar eltor str. N16961 in complex with NADP+ (see paper)
36% identity, 95% coverage: 4:236/244 of query aligns to 6:243/247 of 3op4A

query
sites
3op4A

F

L

S

E

G

G

K

K

T

V

A

A

L

L

V

V

T

T

G
|
G

G

A

R
x
S

S
x
R

G

G

I
|
I

G

G

R

K

A

A

I

I

A

A

Q

E

R

L

L

L

R

A

D

E

E

R

G

G

A

A

D

K

V

V

Y

I

-

G

-

T

-

A

T
|
T

A

S

Q

E

R

S

G

G

Q

A

D

Q

-

A

-

I

-

S

-

D

-

Y

-

L

-

G

D

D

D

N

F

G

P

K

S

G

F

M

H

A

A

L

D
x
N

F
x
V

S

T

D

N

P

P

D

E

S

S

P

I

A

E

Q

A

I

V

I

L

E

K

Q

A

V

I

V

T

F

D

D

E

A

F

G

G

Q

G

L

V

D

D

V

I

L

L

V

V

N

N

N
|
N

A
|
A

G

G

M
x
I

M

T

Q

R

E

D

A

N

S

L

I

L

D

M

D

R

M

M

S

K

L

E

V

E

D

E

W

W

Q

S

R

D

N

I

L

M

T

E

V

T

N

N

L

L

T

T

A

S

P

I

F

F

L

R

L

L

I

S

K

K

A

A

A

V

L

L

P

R

-

G

H

M

L

M

R

K

K

K

T

R

K

Q

G

G

S

R

I

I

V

I

N

N

I
x
V

G

G

S
|
S

I

V

E

V

G

G

F

T

G

M

S

G

N

N

P

A

G

G

H

Q

T

A

A

N

Y
|
Y

C

A

A

A

S

A

K
|
K

A

A

G

G

L

V

H

I

G

G

L

F

T

T

R

K

A

S

V

M

A

A

V

R

D

E

H

V

G

A

A

S

E

R

G

G

I

V

R

T

C

V

N

N

A

T

V

V

A

A

P
|
P

G
|
G

W

F

I
|
I

D

E

T
|
T

D

D

L
x
M

N

T

L

K

D

A

F

L

I

N

D

D

S

E

M

Q

D

R

D

T

P

A

A

T

A

-

F

-

R

-

D

-

I

L

A

A

R

Q

I

V

H

-

P

P

V

A

G

G

R

R

T

L

G

G

D

D

P

P

Q

R

E

E

V

I

A

A

A

S

L

A

V

V

A

A

F

F

L

L

A

A

A

S

D

P

E

E

A

A

G

A

F

Y

V

I

T

T

G

G

Q

E

V

T

Y

L

T

H

V

V

D

N

G

G

binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G13), S17 (≠ R15), R18 (≠ S16), I20 (= I18), T40 (= T35), N62 (≠ D50), V63 (≠ F51), N89 (= N77), A90 (= A78), I92 (≠ M80), V139 (≠ I126), S141 (= S128), Y154 (= Y141), K158 (= K145), P184 (= P171), G185 (= G172), I187 (= I174), T189 (= T176), M191 (≠ L178)

4i08A Crystal structure of beta-ketoacyl-acyl carrier protein reductase (fabg) from vibrio cholerae in complex with NADPH (see paper)
36% identity, 95% coverage: 4:236/244 of query aligns to 6:239/243 of 4i08A

query
sites
4i08A

F

L

S

E

G

G

K

K

T

V

A

A

L

L

V

V

T

T

G
|
G

G

A

R
x
S

S
x
R

G
|
G

I
|
I

G

G

R

K

A

A

I

I

A

A

Q

E

R

L

L

L

R

A

D

E

E

R

G

G

A

A

D

K

V

V

Y

I

-

G

-

T

-

A

T
|
T

A

S

Q

E

R

S

G

G

Q

A

D

Q

-

A

-

I

-

S

-

D

-

Y

-

L

-

G

D

D

D

N

F

G

P

K

S

G

F

M

H

A

A

L

D
x
N

F
x
V

S

T

D

N

P

P

D

E

S

S

P

I

A

E

Q

A

I

V

I

L

E

K

Q

A

V

I

V

T

F

D

D

E

A

F

G

G

Q

G

L

V

D

D

V

I

L

L

V

V

N

N

N
|
N

A
|
A

G

G

M

I

M

T

Q

R

E

D

A

N

S

L

I

L

D

M

D

R

M

M

S

K

L

E

V

E

D

E

W

W

Q

S

R

D

N

I

L

M

T

E

V

T

N
|
N

L

L

T

T

A

S

P

I

F

F

L

R

L

L

I

S

K

K

A

A

A

V

L

L

P

R

-

G

H

M

L

M

R

K

K

K

T

R

K

Q

G

G

S

R

I

I

V

I

N

N

I

V

G
|
G

S
|
S

I

V

E

V

G

G

F

T

G

M

S

G

N

N

P

A

G

G

H
x
Q

T

A

A

N

Y
|
Y

C

A

A

A

S

A

K
|
K

A

A

G

G

L

V

H

I

G

G

L

F

T

T

R

K

A

S

V

M

A

A

V

R

D

E

H

V

G

A

A

S

E

R

G

G

I

V

R

T

C

V

N

N

A

T

V

V

A

A

P
|
P

G
|
G

W

F

I

I

D

E

T
|
T

D

D

L

M

N

N

L

-

D

-

F

-

I

-

D

-

S

-

M

-

D

D

D

E

P

Q

A

R

A

T

F

-

R

-

R

A

D

T

I

L

A

A

R

Q

I

V

H

-

P

P

V

A

G

G

R

R

T

L

G

G

D

D

P

P

Q

R

E

E

V

I

A

A

A

S

L

A

V

V

A

A

F

F

L

L

A

A

A

S

D

P

E

E

A

A

G

A

F

Y

V

I

T

T

G

G

Q

E

V

T

Y

L

T

H

V

V

D

N

G

G

active site: G19 (= G17), N113 (= N101), S141 (= S128), Q151 (≠ H138), Y154 (= Y141), K158 (= K145)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G15 (= G13), S17 (≠ R15), R18 (≠ S16), I20 (= I18), T40 (= T35), N62 (≠ D50), V63 (≠ F51), N89 (= N77), A90 (= A78), G140 (= G127), S141 (= S128), Y154 (= Y141), K158 (= K145), P184 (= P171), G185 (= G172), T189 (= T176)

P0AEK2 3-oxoacyl-[acyl-carrier-protein] reductase FabG; 3-ketoacyl-acyl carrier protein reductase; Beta-Ketoacyl-acyl carrier protein reductase; Beta-ketoacyl-ACP reductase; EC 1.1.1.100 from Escherichia coli (strain K12) (see 2 papers)
38% identity, 95% coverage: 4:236/244 of query aligns to 3:240/244 of P0AEK2

query
sites
P0AEK2

F

F

S

E

G

G

K

K

T

I

A

A

L

L

V

V

T

T

G
|
G

G
x
A

R
x
S

S
x
R

G

G

I

I

G

G

R

R

A

A

I

I

A

A

Q

E

R

T

L

L

R

A

D

A

E

R

G

G

A

A

D

K

V

V

Y

I

-

G

-

T

-

A

T
|
T

A

S

Q

E

R

N

G

G

Q

A

D

Q

-

A

-

I

D

S

D

D

F

Y

-

L

-

G

-

A

-

N

-

G

P

K

S

G

F

L

H

M

A

L

D
x
N

F
x
V

S

T

D

D

P

P

D

A

S

S

P

I

A

E

Q

S

I

V

I

L

E

E

Q

K

V

I

V

R

F

A

D

E

A

F

G

G

Q

E

L

V

D

D

V

I

L

L

V

V

N

N

N
|
N

A

A

G

G

M

I

M

T

Q

R

E

D

A

N

S

L

I

L

D

M

D

R

M

M

S

K

L

D

V

E

D

E

W

W

Q

N

R

D

N

I

L

I

T

E

V

T

N

N

L

L

T

S

A

S

P

V

F

F

L

R

L

L

I

S

K

K

A

A

A

V

L

M

-

R

P

A

H

M

L

M

R

K

K

K

T

R

K

H

G

G

S

R

I

I

V

I

N

T

I

I

G

G

S

S

I

V

E

V

G

G

F

T

G

M

S

G

N

N

P

G

G

G

H

Q

T

A

A

N

Y
|
Y

C
x
A

A
|
A

S
x
A

K
|
K

A

A

G

G

L

L

H

I

G

G

L

F

T

S

R

K

A

S

V

L

A

A

V

R

D

E

H

V

G

A

A

S

E

R

G

G

I

I

R

T

C

V

N

N

A

V

V

V

A

A

P

P

G

G

W

F

I
|
I

D

E

T

T

D

D

L

M

N

T

L

R

D

A

F

L

I

S

D

D

S

-

M

-

D

D

D

Q

P

R

A

A

A

G

F

I

R

L

R

A

D

Q

I

V

A

-

R

-

I

-

H

-

P

P

V

A

G

G

R

R

T

L

G

G

D

G

P

A

Q

Q

E

E

V

I

A

A

A

N

L

A

V

V

A

A

F

F

L

L

A

A

A

S

D

D

E

E

A

A

G

A

F

Y

V

I

T

T

G

G

Q
x
E

V

T

Y

L

T

H

V

V

D

N

G

G

GASR 12:15 (≠ GGRS 13:16) binding NADP(+)
T37 (= T35) binding NADP(+)
NV 59:60 (≠ DF 50:51) binding NADP(+)
N86 (= N77) binding NADP(+)
Y151 (= Y141) mutation to F: Defect in the affinity for NADPH.
YAAAK 151:155 (≠ YCASK 141:145) binding NADP(+)
A154 (≠ S144) mutation to T: Decreases in the thermolability of the reductase; when associated with K-233.
K155 (= K145) mutation to A: Defect in the affinity for NADPH.
I184 (= I174) binding NADP(+)
E233 (≠ Q229) mutation to K: Decreases in the thermolability of the reductase; when associated with T-154.

P0A2C9 3-oxoacyl-[acyl-carrier-protein] reductase FabG; 3-ketoacyl-acyl carrier protein reductase; Beta-Ketoacyl-acyl carrier protein reductase; Beta-ketoacyl-ACP reductase; EC 1.1.1.100 from Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720) (see paper)
38% identity, 95% coverage: 4:236/244 of query aligns to 3:240/244 of P0A2C9

query
sites
P0A2C9

F

F

S

E

G

G

K

K

T

I

A

A

L

L

V

V

T

T

G

G

G

A

R

S

S

R

G

G

I

I

G

G

R

R

A

A

I

I

A

A

Q

E

R

T

L

L

R

V

D

A

E

R

G

G

A

A

D

K

V

V

Y

I

-

G

-

T

-

A

T

T

A

S

Q

E

R

N

G

G

Q

A

D

K

D

N

-

I

-

S

D

D

F

Y

-

L

-

G

-

A

-

N

-

G

P

K

S

G

F

L

H

M

A

L

D

N

F

V

S

T

D

D

P

P

D

A

S

S

P

I

A

E

Q

S

I

V

I

L

E

E

Q

N

V

I

V

R

F

A

D

E

A

F

G

G

Q

E

L

V

D

D

V

I

L

L

V

V

N

N

A

A

G

G

M

I

M

T

Q

R

E

D

A

N

S

L

I

L

D

M

D

R

M

M

S

K

L

D

V

D

D

E

W

W

Q

N

R

D

N

I

L

I

T

E

V

T

N

N

L

L

T

S

A

S

P

V

F

F

L

R

L

L

I

S

K

K

A

A

A

V

L

M

P

R

H

A

L
x
M

R

M

K

K

T

K

K

R

-

C

G

G

S

R

I

I

V

I

N

T

I

I

G

G

S

S

I

V

E

V

G

G

F

T

G

M

S

G

N

N

P

A

G

G

H

Q

T

A

A

N

Y

Y

C

A

A

A

S

A

K

K

A

A

G

G

L

L

H

I

G

G

L

F

T

S

R

K

A

S

V

L

A

A

V

R

D

E

H

V

G

A

A

S

E

R

G

G

I

I

R

T

C

V

N

N

A

V

V

V

A

A

P

P

G

G

W

F

I

I

D

E

T

T

D

D

L

M

N

T

L

R

D

A

F

L

I

S

D

D

S

-

M

-

D

D

D

Q

P

R

A

A

A

G

F

I

R

L

R

A

D

Q

I

V

A

-

R

-

I

-

H

-

P

P

V

A

G

G

R

R

T

L

G

G

D

G

P

A

Q

Q

E

E

V

I

A

A

A

S

L

A

V

V

A

A

F

F

L

L

A
|
A

A
x
S

D

D

E

E

A

A

G

S

F

Y

V

I

T

T

G

G

Q

E

V

T

Y

L

T

H

V

V

D

N

G

G

M125 (≠ L116) mutation to I: Loss of the temperature-sensitive phenotype; when associated with T-223.
A223 (= A219) mutation to T: Loss of the temperature-sensitive phenotype; when associated with I-125.
S224 (≠ A220) mutation to F: Distorts the local conformation and prevent stacking around Phe-221. The S224F mutation would additionally disrupt the hydrogen bond formed between Ser-224 and Glu-226.

1q7bA The structure of betaketoacyl-[acp] reductase from e. Coli in complex with NADP+ (see paper)
38% identity, 95% coverage: 4:236/244 of query aligns to 2:239/243 of 1q7bA

query
sites
1q7bA

F

F

S

E

G

G

K

K

T

I

A

A

L

L

V

V

T

T

G
|
G

G

A

R
x
S

S
x
R

G
|
G

I

I

G

G

R

R

A

A

I

I

A

A

Q

E

R

T

L

L

R

A

D

A

E

R

G

G

A

A

D

K

V

V

Y

I

-

G

-

T

-

A

T
|
T

A

S

Q

E

R

N

G

G

Q

A

D

Q

-

A

-

I

D

S

D

D

F

Y

-

L

-

G

-

A

-

N

-

G

P

K

S

G

F

L

H

M

A

L

D
x
N

F
x
V

S

T

D

D

P

P

D

A

S

S

P

I

A

E

Q

S

I

V

I

L

E

E

Q

K

V

I

V

R

F

A

D

E

A

F

G

G

Q

E

L

V

D

D

V

I

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

M
x
I

M

T

Q

R

E

D

A

N

S

L

I

L

D

M

D

R

M

M

S

K

L

D

V

E

D
x
E

W

W

Q

N

R

D

N

I

L

I

T

E

V

T

N

N

L

L

T

S

A

S

P

V

F

F

L

R

L

L

I

S

K

K

A

A

A

V

L

M

-

R

P

A

H

M

L

M

R

K

K

K

T

R

K

H

G

G

S

R

I

I

V

I

N

T

I

I

G

G

S
|
S

I

V

E

V

G

G

F

T

G

M

S

G

N

N

P

G

G

G

H
x
Q

T

A

A

N

Y
|
Y

C

A

A

A

S

A

K
|
K

A

A

G

G

L

L

H

I

G

G

L

F

T

S

R

K

A

S

V

L

A

A

V

R

D

E

H

V

G

A

A

S

E

R

G

G

I

I

R

T

C

V

N

N

A

V

V

V

A

A

P
|
P

G
|
G

W

F

I
|
I

D

E

T

T

D

D

L

M

N

T

L

R

D

A

F

L

I

S

D

D

S

-

M

-

D

D

D

Q

P

R

A

A

A

G

F

I

R

L

R

A

D

Q

I

V

A

-

R

-

I

-

H

-

P

P

V

A

G

G

R

R

T

L

G

G

D

G

P

A

Q

Q

E

E

V

I

A

A

A

N

L

A

V

V

A

A

F

F

L

L

A

A

A

S

D

D

E

E

A

A

G

A

F

Y

V

I

T

T

G

G

Q
x
E

V
x
T

Y

L

T

H

V

V

D

N

G

G

active site: G15 (= G17), E101 (≠ D93), S137 (= S128), Q147 (≠ H138), Y150 (= Y141), K154 (= K145)
binding calcium ion: E232 (≠ Q229), T233 (≠ V230)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G11 (= G13), S13 (≠ R15), R14 (≠ S16), T36 (= T35), N58 (≠ D50), V59 (≠ F51), N85 (= N77), A86 (= A78), G87 (= G79), I88 (≠ M80), S137 (= S128), Y150 (= Y141), K154 (= K145), P180 (= P171), G181 (= G172), I183 (= I174)

1q7cA The structure of betaketoacyl-[acp] reductase y151f mutant in complex with NADPH fragment (see paper)
37% identity, 95% coverage: 4:236/244 of query aligns to 2:239/243 of 1q7cA

query
sites
1q7cA

F

F

S

E

G

G

K

K

T

I

A

A

L

L

V

V

T

T

G
|
G

G

A

R
x
S

S
x
R

G
|
G

I

I

G

G

R

R

A

A

I

I

A

A

Q

E

R

T

L

L

R

A

D

A

E

R

G

G

A

A

D

K

V

V

Y

I

-

G

-

T

-
x
A

T
|
T

A

S

Q

E

R

N

G

G

Q

A

D

Q

-

A

-

I

D

S

D

D

F

Y

-

L

-

G

-

A

-

N

-

G

P

K

S

G

F

L

H

M

A
x
L

D
x
N

F
x
V

S

T

D

D

P

P

D

A

S

S

P

I

A

E

Q

S

I

V

I

L

E

E

Q

K

V

I

V

R

F

A

D

E

A

F

G

G

Q

E

L

V

D

D

V

I

L

L

V

V

N

N

A

A

G
|
G

M
x
I

M

T

Q

R

E

D

A

N

S

L

I

L

D

M

D

R

M

M

S

K

L

D

V

E

D

E

W

W

Q

N

R

D

N

I

L

I

T

E

V

T

N

N

L

L

T

S

A

S

P

V

F

F

L

R

L

L

I

S

K

K

A

A

A

V

L

M

-

R

P

A

H

M

L

M

R

K

K

K

T

R

K

H

G

G

S

R

I

I

V

I

N

T

I

I

G

G

S
|
S

I

V

E

V

G

G

F

T

G

M

S

G

N

N

P

G

G

G

H
x
Q

T

A

A

N

Y
x
F

C

A

A

A

S

A

K
|
K

A

A

G

G

L

L

H

I

G

G

L

F

T

S

R

K

A

S

V

L

A

A

V

R

D

E

H

V

G

A

A

S

E

R

G

G

I

I

R

T

C

V

N

N

A

V

V

V

A

A

P

P

G

G

W

F

I

I

D

E

T

T

D

D

L

M

N

T

L

R

D

A

F

L

I

S

D

D

S

-

M

-

D

D

D

Q

P

R

A

A

A

G

F

I

R

L

R

A

D

Q

I

V

A

-

R

-

I

-

H

-

P

P

V

A

G

G

R

R

T

L

G

G

D

G

P

A

Q

Q

E

E

V

I

A

A

A

N

L

A

V

V

A

A

F

F

L

L

A

A

A

S

D

D

E

E

A

A

G

A

F

Y

V

I

T

T

G

G

Q

E

V

T

Y

L

T

H

V

V

D

N

G

G

active site: G15 (= G17), S137 (= S128), Q147 (≠ H138), F150 (≠ Y141), K154 (= K145)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G11 (= G13), S13 (≠ R15), R14 (≠ S16), A35 (vs. gap), T36 (= T35), L57 (≠ A49), N58 (≠ D50), V59 (≠ F51), G87 (= G79), I88 (≠ M80)

4k6fB X-ray crystal structure of a putative acetoacetyl-coa reductase from burkholderia cenocepacia bound to the co-factor NADP
35% identity, 95% coverage: 7:237/244 of query aligns to 2:242/245 of 4k6fB

query
sites
4k6fB

K

R

T

I

A

A

L

V

V

V

T

T

G
|
G

G

G

R

M

S

G

G
|
G

I

L

G

G

R

E

A

A

I

V

A

S

Q

I

R

R

L

L

R

N

D

D

E

A

G

G

A

H

D

R

V

V

-

V

-

T

-
x
Y

-
x
S

-

P

-

N

-
x
N

-

T

-

G

-

A

-

D

-

R

-

W

Y

L

T

T

A

E

Q

M

R

H

G

A

Q

A

D

G

D

R

D

E

F

F

P

H

S

A

F

Y

H

P

A
x
V

D
|
D

F
x
V

S

A

D

D

P

H

D

D

S

S

P

C

A

Q

Q

Q

I

C

I

I

E

E

Q

K

V

I

V

V

F

R

D

D

A

V

G

G

Q

P

L

V

D

D

V

I

L

L

V

V

N

N

A
|
A

G
|
G

M
x
I

M

T

Q

R

E

D

A

M

S

T

I

L

D

R

D

K

M

L

S

D

L

K

V

V

D
x
N

W

W

Q

D

R

A

N

V

L

I

T

R

V

T

N

N

L

L

T

D

A

S

P

V

F

F

L

N

L

M

I

T

K

K

A

P

A

V

L

C

P

D

H

G

L

M

-

V

R

E

K

R

T

G

K

W

G

G

S

R

I

I

V

V

N

N

I

I

G

S

S
|
S

I

V

E

N

G

G

F

S

G

K

S

G

N

S

P

V

G

G

H

Q

T

T

A

N

Y
|
Y

C

A

A

A

S

A

K
|
K

A

A

G

G

L

M

H

H

G

G

L

F

T

T

R

K

A

S

V

L

A

A

V

L

D

E

H

I

G

A

A

R

E

K

G

G

I

V

R

T

C

V

N

N

A

T

V

V

A

S

P

P

G

G

W

Y

I

L

D

A

T

T

D

K

L

M

N

V

L

T

-

A

-

I

-

P

-

Q

D

D

F

I

I

L