SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing Pf6N2E2_3703 FitnessBrowser__pseudo6_N2E2:Pf6N2E2_3703 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)

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)
39% identity, 99% coverage: 3:248/249 of query aligns to 5:246/247 of 3op4A

query
sites
3op4A

Q

N

L

L

F

E

N

G

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K

R

V

A

A

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I

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T

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G
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G

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x
S

S
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Y

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binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G13), S17 (≠ G15), R18 (≠ S16), I20 (= I18), T40 (≠ L35), N62 (≠ E56), V63 (= V57), N89 (= N90), A90 (= A91), I92 (≠ M93), V139 (≠ I140), S141 (= S142), Y154 (= Y155), K158 (= K159), P184 (= P185), G185 (= G186), I187 (= I188), T189 (= T190), M191 (≠ L192)

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)
39% identity, 94% coverage: 6:240/249 of query aligns to 5:237/248 of Q9KJF1

query
sites
Q9KJF1

N

N

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S15 (= S16) binding
D36 (= D37) binding
D62 (= D63) binding
I63 (≠ V64) binding
N89 (= N90) binding
Y153 (= Y155) binding
K157 (= K159) binding

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

7pcsB Structure of the heterotetrameric sdr family member bbscd (see paper)
39% identity, 94% coverage: 6:240/249 of query aligns to 4:236/247 of 7pcsB

query
sites
7pcsB

N

N

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G

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I

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D

A

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binding nicotinamide-adenine-dinucleotide: G11 (= G13), M16 (≠ I18), D35 (= D37), I36 (≠ R38), I62 (≠ V64), N88 (= N90), G90 (= G92), I138 (= I140), S140 (= S142), Y152 (= Y155), K156 (= K159), I185 (= I188)

3osuA Crystal structure of the 3-oxoacyl-acyl carrier protein reductase, fabg, from staphylococcus aureus
37% identity, 98% coverage: 5:248/249 of query aligns to 3:246/246 of 3osuA

query
sites
3osuA

F

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active site: G15 (= G17), S141 (= S142), Q151 (≠ L152), Y154 (= Y155), K158 (= K159)
binding magnesium ion: N89 (= N90), K158 (= K159)

4i08A Crystal structure of beta-ketoacyl-acyl carrier protein reductase (fabg) from vibrio cholerae in complex with NADPH (see paper)
39% identity, 99% coverage: 3:248/249 of query aligns to 5:242/243 of 4i08A

query
sites
4i08A

Q

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F

L

L

A

A

S

S

D

-

P

P

G

E

G

A

N

A

L

Y

F

I

V

T

G

G

Q

E

T

T

L

L

G

H

P

V

N

N

A

G

G

G

D

M

V

Y

M

M

active site: G19 (= G17), N113 (≠ D114), S141 (= S142), Q151 (≠ L152), Y154 (= Y155), K158 (= K159)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G15 (= G13), S17 (≠ G15), R18 (≠ S16), I20 (= I18), T40 (≠ L35), N62 (≠ E56), V63 (= V57), N89 (= N90), A90 (= A91), G140 (≠ A141), S141 (= S142), Y154 (= Y155), K158 (= K159), P184 (= P185), G185 (= G186), T189 (= T190)

6zzsD Crystal structure of (r)-3-hydroxybutyrate dehydrogenase from acinetobacter baumannii complexed with NAD+ and 3-oxovalerate (see paper)
36% identity, 94% coverage: 1:234/249 of query aligns to 1:247/261 of 6zzsD

query
sites
6zzsD

M

M

Q

T

Q

K

L

L

F

L

N

D

-

G

R

K

R

V

A

A

V

F

I

I

T

T

G
|
G

A

S

G

A

S
|
S

G
|
G

I
|
I

G

G

A

L

A

E

I

I

A

A

R

K

A

K

Y

F

A

A

E

Q

Q

E

G

G

A

A

R

K

L

V

V

V

L

I

A

S

D
|
D

R
x
M

D

N

A

A

E

E

R

K

L

C

T

Q

A

E

T

T

A

A

N

N

D

S

C

L

R

K

A

E

L

Q

A

G

V

F

E

D

V

A

H

L

E

S

C

A

V

P

A

C

D
|
D

V
|
V

G

T

T

D

L

E

E

D

G

A

A

Y

Q

K

A

Q

G

A

V

I

D

E

A

L

C

T

V

Q

E

K

H

T

F

F

G

G

G

T

I

V

D

D

I

I

L

L

V

I

N

N

N
|
N

A
|
A

G
|
G

M

F

L
x
Q

T

H

Q

V

A

A

R

P

C

I

T

E

E

E

L

F

S

P

I

T

E

A

M

V

W

F

N

Q

D

K

M

L

L

V

R

Q

V

V

D

M

L

L

T

T

S

G

V

A

F

F

I

I

A

G

S

I

Q

K

R

H

A

V

L

L

P

P

H

I

M

M

L

K

A

A

Q

Q

R

K

W

Y

G

G

R

R

I

I

N

N

I
x
M

A
|
A

S
|
S

Q

I

L
x
N

G

G

I

L

K

I

G

G

G

F

A

A

E

G

L
x
K

S

A

H

G

Y
|
Y

A

N

A

S

A

A

K
|
K

A

H

G

G

V

V

I

I

G

G

F

L

T

T

K

K

S

V

L

A

A

A

L

L

E

E

V

C

A

A

A

R

D

D

N

G

V

I

L

T

V

V

N

N

A

A

I

L

A

C

P
|
P

G
|
G

P

Y

I
x
V

E

D

T
|
T

P

P

L
|
L

V

V

A

R

G

G

I
x
Q

S

I

E

A

S

D

W

L

K

A

Q

K

A

T

K

R

S

N

A

V

E

S

L

L

-

D

-

S

-

A

-

L

-

E

-

D

-

V

-

I

-

L

-

A

-

M

-

V

P

P

L

Q

R

K

R

R

F

L

G

L

L

S

A

V

T

E

E

E

V

I

A

A

P

D

T

Y

A

A

V

I

L

F

L

L

A

A

S

S

D

S

P

K

G

A

G

G

N

G

L

V

active site: G18 (= G17), S143 (= S142), Y156 (= Y155)
binding nicotinamide-adenine-dinucleotide: G14 (= G13), S17 (= S16), I19 (= I18), D38 (= D37), M39 (≠ R38), D64 (= D63), V65 (= V64), N91 (= N90), A92 (= A91), G93 (= G92), M141 (≠ I140), A142 (= A141), S143 (= S142), Y156 (= Y155), K160 (= K159), P186 (= P185), G187 (= G186), V189 (≠ I188), T191 (= T190), L193 (= L192)
binding 3-oxidanylidenepentanoic acid: Q95 (≠ L94), S143 (= S142), N145 (≠ L144), K153 (≠ L152), Y156 (= Y155), Q197 (≠ I196)

6zzqA Crystal structure of (r)-3-hydroxybutyrate dehydrogenase from acinetobacter baumannii complexed with NAD+ and acetoacetate (see paper)
36% identity, 92% coverage: 7:234/249 of query aligns to 7:246/260 of 6zzqA

query
sites
6zzqA

R

K

R

V

A

A

V

F

I

I

T

T

G
|
G

A

S

G

A

S
|
S

G
|
G

I
|
I

G

G

A

L

A

E

I

I

A

A

R

K

A

K

Y

F

A

A

E

Q

Q

E

G

G

A

A

R

K

L

V

V

V

L

I

A

S

D
|
D

R
x
M

D

N

A

A

E

E

R

K

L

C

T

Q

A

E

T

T

A

A

N

N

D

S

C

L

R

K

A

E

L

Q

A

G

V

F

E

D

V

A

H

L

E

S

C

A

V

P

A

C

D
|
D

V
|
V

G

T

T

D

L

E

E

D

G

A

A

Y

Q

K

A

Q

G

A

V

I

D

E

A

L

C

T

V

Q

E

K

H

T

F

F

G

G

G

T

I

V

D

D

I

I

L

L

V

I

N

N

N
|
N

A
|
A

G
|
G

M

F

L
x
Q

T

H

Q

V

A

A

R

P

C

I

T

E

E

E

L

F

S

P

I

T

E

A

M

V

W

F

N

Q

D

K

M

L

L

V

R

Q

V

V

D

M

L

L

T

T

S

G

V

A

F

F

I

I

A

G

S

I

Q

K

R

H

A

V

L

L

P

P

H

I

M

M

L

K

A

A

Q

Q

R

K

W

Y

G

G

R

R

I

I

N

N

I
x
M

A
|
A

S
|
S

Q

I

L

N

G

G

I

L

K

I

G

G

G

F

A

A

E

G

L
x
K

S

A

H

G

Y
|
Y

A

N

A

S

A

A

K
|
K

A

H

G

G

V

V

I

I

G

G

F

L

T

T

K

K

S

V

L

A

A

A

L

L

E

E

V

C

A

A

A

R

D

D

N

G

V

I

L

T

V

V

N

N

A

A

I

L

A

C

P

P

G

G

P
x
Y

I
x
V

E

D

T
|
T

P

P

L

L

V

V

A

R

G

G

I
x
Q

S

I

E

A

S

D

W

L

K

A

Q

K

A

T

K

R

S

N

A

V

E

S

L

L

-

D

-

S

-

A

-

L

-

E

-

D

-

V

-

I

-

L

-

A

-

M

-

V

P

P

L

Q

R

K

R

R

F

L

G

L

L

S

A

V

T

E

E

E

V

I

A

A

P

D

T

Y

A

A

V

I

L

F

L

L

A

A

S

S

D

S

P

K

G

A

G

G

N

G

L

V

active site: G17 (= G17), S142 (= S142), Y155 (= Y155)
binding acetoacetic acid: Q94 (≠ L94), S142 (= S142), K152 (≠ L152), Y155 (= Y155), Q196 (≠ I196)
binding nicotinamide-adenine-dinucleotide: G13 (= G13), S16 (= S16), G17 (= G17), I18 (= I18), D37 (= D37), M38 (≠ R38), D63 (= D63), V64 (= V64), N90 (= N90), A91 (= A91), G92 (= G92), M140 (≠ I140), A141 (= A141), S142 (= S142), Y155 (= Y155), K159 (= K159), Y187 (≠ P187), V188 (≠ I188), T190 (= T190)

4nbuB Crystal structure of fabg from bacillus sp (see paper)
38% identity, 92% coverage: 1:228/249 of query aligns to 2:225/244 of 4nbuB

query
sites
4nbuB

M

M

Q

S

Q

R

L

L

F

Q

N

D

R

K

R

V

A

A

V

I

I

I

T

T

G
|
G

A

A

G

A

S
x
N

G
|
G

I
|
I

G

G

A

L

A

E

I

A

A

A

R

R

A

V

Y

F

A

M

E

K

Q

E

G

G

A

A

R

K

L

V

V

V

L

I

A

A

D
|
D

-
x
F

R

N

D

E

A

A

E

A

R

G

L

K

T

E

A

A

T

V

A

E

N

A

D

N

C

P

R

G

A

V

L

V

A

F

V

I

E

R

V
|
V

H

-

E

-

C

-

V

-

A

-

D
|
D

V
|
V

G

S

T

D

L

R

E

E

G

S

A

V

Q

H

A

R

G

L

V

V

D

E

A

N

C

V

V

A

E

E

H

R

F

F

G

G

G

K

I

I

D

D

I

I

L

L

V

I

N

N

N
|
N

A
|
A

G
|
G

M
x
I

L

T

T

R

Q
x
D

A

S

R

M

C

L

T

S

E
x
K

L

M

S

T

I

V

E

D

M

Q

W

F

N

Q

D

Q

M

V

L

I

R

N

V

V

D
x
N

L

L

T

T

S

G

V

V

F

F

I

H

A

C

S

T

Q

Q

R

A

A

V

L

L

P

P

H

Y

M

M

L

A

A

E

Q

Q

R

G

W

K

G

G

R

K

I

I

N

N

I
x
T

A

S

S
|
S

Q

V

L

T

G

G

I

T

K

Y

G

G

G
x
N

A
x
V

E

G

L
x
Q

S

T

H

N

Y
|
Y

A

A

K
|
K

A

A

G

G

V

V

I

I

G

G

F

M

T

T

K

K

S

T

L

W

A

A

L

K

E

E

V

L

A

A

A

R

D

K

N

G

V

I

L

N

V

V

N

N

A

A

I

V

A

A

P
|
P

G

G

P
x
F

I
x
T

E

E

T
|
T

P

A

L
x
M

V

V

A

A

G

E

I

V

S

P

E

E

S

K

W

V

K

I

Q

E

A
x
K

K

M

S

K

A

A

E

Q

L

V

P

P

L

M

R

G

R

R

F

L

G

G

L

K

A

P

T

E

E

D

V

I

A

A

P

N

T

A

A

Y

V

L

L

F

L

L

A

A

S

S

active site: G18 (= G17), N111 (≠ D114), S139 (= S142), Q149 (≠ L152), Y152 (= Y155), K156 (= K159)
binding acetoacetyl-coenzyme a: D93 (≠ Q96), K98 (≠ E101), S139 (= S142), N146 (≠ G149), V147 (≠ A150), Q149 (≠ L152), Y152 (= Y155), F184 (≠ P187), M189 (≠ L192), K200 (≠ A203)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G13), N17 (≠ S16), G18 (= G17), I19 (= I18), D38 (= D37), F39 (vs. gap), V59 (= V57), D60 (= D63), V61 (= V64), N87 (= N90), A88 (= A91), G89 (= G92), I90 (≠ M93), T137 (≠ I140), S139 (= S142), Y152 (= Y155), K156 (= K159), P182 (= P185), F184 (≠ P187), T185 (≠ I188), T187 (= T190), M189 (≠ L192)

3sj7A Structure of beta-ketoacetyl-coa reductase (fabg) from staphylococcus aureus complex with NADPH (see paper)
37% identity, 97% coverage: 7:248/249 of query aligns to 2:239/239 of 3sj7A

query
sites
3sj7A

R

K

R

S

A

A

V

L

I

V

T

T

G
|
G

A

A

G
x
S

S
x
R

G
|
G

I
|
I

G

G

A

R

A

S

I

I

A

A

R

L

A

Q

Y

L

A

A

E

E

Q

E

G

G

A

Y

R

N

L

V

-

A

V

V

L
x
N

A
x
Y

D
x
A

R
x
G

D
x
S

A

K

E

E

R

K

L

A

T

E

A

A

T

V

A

V

N

E

D

E

C

I

R

K

A

A

L

K

A

G

V

V

E

D

V

S

H

F

E

A

C

I

V

Q

A
|
A

D
x
N

V
|
V

G

A

T

D

L

A

E

D

G

E

A

V

Q

K

A

A

G

M

V

I

D

K

A

E

C

V

V

V

E

S

H

Q

F

F

G

G

G

S

I

L

D

D

I

V

L

L

V

V

N

N

N
|
N

A
|
A

G

G

M

I

L

T

T

R

Q

D

A

N

R

L

C

L

T

M

E

R

L

M

S

K

I

E

E

Q

M

E

W

W

N

D

D

D

M

V

L

I

R

D

V
x
T

D

N

L

L

T

K

S

G

V

V

F

F

I

N

A

C

S

I

Q

Q

R

K

A

A

L

T

P

P

H

Q

M

M

L

L

A

R

Q

Q

R

R

W

S

G

G

R

A

I

I

N

N

I

L

A

S

S
|
S

Q

V

L

V

G

G

I

A

K

V

G

G

G

N

A

P

E

G

L
x
Q

S

A

H

N

Y
|
Y

A

V

A

A

A

T

K
|
K

A

A

G

G

V

V

I

I

G

G

F

L

T

T

K

K

S

S

L

A

A

A

L

R

E

E

V

L

A

A

A

S

D

R

N

G

V

I

L

T

V

V

N

N

A

A

I

V

A

A

P
|
P

G
|
G

P

F

I

I

E

-

T

-

P

-

L

-

V

V

A

S

G

D

I

M

S

T

E

D

S

E

W

L

K

K

Q

E

A

Q

K

M

S

L

A

T

E

Q

L

I

P

P

L

L

R

A

R

R

F

F

G

G

L

Q

A

D

T

T

E

D

V

I

A

A

P

N

T

T

A

V

V

A

L

F

L

L

A

A

S

S

D

D

P

K

G

-

G

A

N

K

L

Y

F

I

V

T

G

G

Q

Q

T

T

L

I

G

H

P

V

N

N

A

G

G

G

D

M

V

Y

M

M

active site: G12 (= G17), S138 (= S142), Q148 (≠ L152), Y151 (= Y155), K155 (= K159)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G8 (= G13), S10 (≠ G15), R11 (≠ S16), I13 (= I18), N31 (≠ L35), Y32 (≠ A36), A33 (≠ D37), G34 (≠ R38), S35 (≠ D39), A58 (= A62), N59 (≠ D63), V60 (= V64), N86 (= N90), A87 (= A91), T109 (≠ V113), S138 (= S142), Y151 (= Y155), K155 (= K159), P181 (= P185), G182 (= G186)

4jroC Crystal structure of 3-oxoacyl-[acyl-carrier protein]reductase (fabg) from listeria monocytogenes in complex with NADP+
37% identity, 97% coverage: 7:248/249 of query aligns to 6:247/247 of 4jroC

query
sites
4jroC

R

K

R

V

A

A

V

V

I

V

T

T

G
|
G

A

G

G
x
S

S
x
R

G
|
G

I
|
I

G

G

A

R

A

D

I

I

A

A

R

I

A

N

Y

L

A

A

E

K

Q

E

G

G

A

A

R

N

L

I

V

F

L

F

-
x
N

A
x
Y

D
x
N

R
x
G

D
x
S

A

P

E

E

R

A

L

A

T

E

A

E

T

T

A

A

N

K

D

L

C

V

R

A

A

E

L

H

A

G

V

V

E

E

V

V

H

E

E

A

C

M

V

K

A

A

D
x
N

V
|
V

G

A

T

I

L

A

E

E

G

D

A

V

Q

D

A

A

G

F

V

F

D

K

A

Q

C

A

V

I

E

E

H

R

F

F

G

G

G

R

I

V

D

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

G

G

M
x
I

L

T

T

R

Q

D

A

N

R

L

C

L

T

M

E

R

L

M

S

K

I

E

E

D

M

E

W

W

N

D

D

D

M

V

L

I

R

N

V
x
I

D

N

L

L

T

K

S

G

V

T

F

F

I

L

A

C

S

T

Q

K

R

A

A

V

L

S

P

R

H

T

M

M

L

M

A

K

Q

Q

R

R

W

A

G

G

R

K

I

I

N

N

I

M

A

A

S
|
S

Q

V

L

V

G

G

I

L

K

I

G

G

G

N

A

A

E

G

L
x
Q

S

A

H

N

Y
|
Y

A

V

A

A

A

S

K
|
K

A

A

G

G

V

V

I

I

G

G

F

L

T

T

K

K

S

T

L

T

A

A

L

R

E

E

V

L

A

A

A

P

D

R

N

G

V

I

L

N

V

V

N

N

A

A

I

V

A

A

P
|
P

G

G

P

F

I
|
I

E

T

T
|
T

P

D

L

M

V

T

A

D

G

K

I

L

S

D

E

E

S

K

W

T

K

K

Q

E

A

A

K

M

S

L

A

A

E

Q

L

I

P

P

L

L

R

G

R

A

F

Y

G

G

L

T

A

T

T

E

E

D

V

I

A

A

P

N

T

A

A

V

V

L

L

F

L

L

A

A

S

S

D

D

P

A

G

-

G

S

N

K

L

Y

F

I

V

T

G

G

Q

Q

T

T

L

L

G

S

P

V

N

D

A

G

G

G

D

M

V

V

M

M

active site: G16 (= G17), S142 (= S142), Q152 (≠ L152), Y155 (= Y155), K159 (= K159)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G13), S14 (≠ G15), R15 (≠ S16), G16 (= G17), I17 (= I18), N35 (vs. gap), Y36 (≠ A36), N37 (≠ D37), G38 (≠ R38), S39 (≠ D39), N63 (≠ D63), V64 (= V64), N90 (= N90), A91 (= A91), I93 (≠ M93), I113 (≠ V113), S142 (= S142), Y155 (= Y155), K159 (= K159), P185 (= P185), I188 (= I188), T190 (= T190)

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, 96% coverage: 9:248/249 of query aligns to 8:243/244 of P0AEK2

query
sites
P0AEK2

A

A

V

L

I

V

T

T

G
|
G

A
|
A

G
x
S

S
x
R

G

G

I

I

G

G

A

R

A

A

I

I

A

A

R

E

A

T

Y

L

A

A

E

A

Q

R

G

G

A

A

R

K

L

V

V

I

L

G

A

T

D

A

R
x
T

D

S

A

E

E

N

R

G

L

A

T

Q

A

A

T

I

A

S

N

D

D

Y

C

L

R

G

A

A

L

N

A

G

V

K

E

G

V

L

H

M

E

L

C
x
N

V
|
V

A

T

D

D

V

P

G

A

T

S

L

I

E

E

G

S

A

V

Q

L

A

E

G

K

V

I

D

R

A

A

C

-

V

-

E

-

H

E

F

F

G

G

G

E

I

V

D

D

I

I

L

L

V

V

N

N

N
|
N

A

A

G

G

M

I

L

T

T

R

Q

D

A

N

R

L

C

L

T

M

E

R

L

M

S

K

I

D

E

E

M

E

W

W

N

N

D

D

M

I

L

I

R

E

V

T

D

N

L

L

T

S

S

S

V

V

F

F

I

R

A

L

S

S

Q

K

R

A

A

V

L

M

P

R

H

A

M

M

L

M

A

K

Q

K

R

R

W

H

G

G

R

R

I

I

N

T

I

I

A

G

S

S

Q

V

L

V

G

G

I

T

K

M

G

G

G

N

A

G

E

G

L

Q

S

A

H

N

Y
|
Y

A
|
A

K
|
K

A

A

G

G

V

L

I

I

G

G

F

F

T

S

K

K

S

S

L

L

A

A

L

R

E

E

V

V

A

A

A

S

D

R

N

G

V

I

L

T

V

V

N

N

A

V

I

V

A

A

P

P

G

G

P

F

I
|
I

E

E

T

T

P

D

L

M

V

T

A

R

G

A

I

L

S

S

E

D

S

D

W

Q

K

R

Q

A

A

G

K

I

S

L

A

A

E

Q

L

V

P

P

L

A

R

G

R

R

F

L

G

G

L

G

A

A

T

Q

E

E

V

I

A

A

P

N

T

A

A

V

V

A

L

F

L

L

A

A

S

S

D

D

P

E

G

A

N

-

L

Y

F

I

V

T

G

G

Q
x
E

T

T

L

L

G

H

P

V

N

N

A

G

G

G

D

M

V

Y

M

M

GASR 12:15 (≠ GAGS 13:16) binding
T37 (≠ R38) binding
NV 59:60 (≠ CV 60:61) binding
N86 (= N90) binding
Y151 (= Y155) mutation to F: Defect in the affinity for NADPH.
YAAAK 151:155 (= YAAAK 155:159) binding
A154 (= A158) mutation to T: Decreases in the thermolability of the reductase; when associated with K-233.
K155 (= K159) mutation to A: Defect in the affinity for NADPH.
I184 (= I188) binding
E233 (≠ Q238) mutation to K: Decreases in the thermolability of the reductase; when associated with T-154.

1q7bA The structure of betaketoacyl-[acp] reductase from e. Coli in complex with NADP+ (see paper)
38% identity, 96% coverage: 9:248/249 of query aligns to 7:242/243 of 1q7bA

query
sites
1q7bA

A

A

V

L

I

V

T

T

G
|
G

A

A

G
x
S

S
x
R

G
|
G

I

I

G

G

A

R

A

A

I

I

A

A

R

E

A

T

Y

L

A

A

E

A

Q

R

G

G

A

A

R

K

L

V

V

I

L

G

A

T

D

A

R
x
T

D

S

A

E

E

N

R

G

L

A

T

Q

A

A

T

I

A

S

N

D

D

Y

C

L

R

G

A

A

L

N

A

G

V

K

E

G

V

L

H

M

E

L

C
x
N

V
|
V

A

T

D

D

V

P

G

A

T

S

L

I

E

E

G

S

A

V

Q

L

A

E

G

K

V

I

D

R

A

A

C

-

V

-

E

-

H

E

F

F

G

G

G

E

I

V

D

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

M
x
I

L

T

T

R

Q

D

A

N

R

L

C

L

T

M

E

R

L

M

S

K

I

D

E

E

M
x
E

W

W

N

N

D

D

M

I

L

I

R

E

V

T

D

N

L

L

T

S

S

S

V

V

F

F

I

R

A

L

S

S

Q

K

R

A

A

V

L

M

P

R

H

A

M

M

L

M

A

K

Q

K

R

R

W

H

G

G

R

R

I

I

N

T

I

I

A

G

S
|
S

Q

V

L

V

G

G

I

T

K

M

G

G

G

N

A

G

E

G

L
x
Q

S

A

H

N

Y
|
Y

A

A

K
|
K

A

A

G

G

V

L

I

I

G

G

F

F

T

S

K

K

S

S

L

L

A

A

L

R

E

E

V

V

A

A

A

S

D

R

N

G

V

I

L

T

V

V

N

N

A

V

I

V

A

A

P
|
P

G
|
G

P

F

I
|
I

E

E

T

T

P

D

L

M

V

T

A

R

G

A

I

L

S

S

E

D

S

D

W

Q

K

R

Q

A

A

G

K

I

S

L

A

A

E

Q

L

V

P

P

L

A

R

G

R

R

F

L

G

G

L

G

A

A

T

Q

E

E

V

I

A

A

P

N

T

A

A

V

V

A

L

F

L

L

A

A

S

S

D

D

P

E

G

A

N

-

L

Y

F

I

V

T

G

G

Q
x
E

T
|
T

L

L

G

H

P

V

N

N

A

G

G

G

D

M

V

Y

M

M

active site: G15 (= G17), E101 (≠ M106), S137 (= S142), Q147 (≠ L152), Y150 (= Y155), K154 (= K159)
binding calcium ion: E232 (≠ Q238), T233 (= T239)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G11 (= G13), S13 (≠ G15), R14 (≠ S16), T36 (≠ R38), N58 (≠ C60), V59 (= V61), N85 (= N90), A86 (= A91), G87 (= G92), I88 (≠ M93), S137 (= S142), Y150 (= Y155), K154 (= K159), P180 (= P185), G181 (= G186), I183 (= I188)

7emgB Carbonyl reductase variant 4 (r123c/l209p/f183y/v61k) from serratia marcescens complexed with NADP+ (see paper)
38% identity, 96% coverage: 10:248/249 of query aligns to 8:242/243 of 7emgB

query
sites
7emgB

V

L

I

V

T

T

G
|
G

A

A

G
x
S

S
x
R

G

G

I

I

G

G

A

R

A

A

I

I

A

A

R

E

A

T

Y

F

A

V

E

A

Q

R

G

G

A

A

R

K

L

V

V

I

L

G

A

T

D

A

R
x
T

D

S

A

E

E

S

R

G

L

A

T

E

A

A

T

I

A

S

N

G

D

Y

C

L

R

G

A

A

L

N

A

G

V

K

E

G

V

F

H

M

E

L

C
x
N

V
|
V

A

K

D

D

V

A

G

Q

T

S

L

I

E

D

G

S

A

V

Q

L

A

A

G

S

V

I

D

R

A

A

C

-

V

-

E

-

H

E

F

F

G

G

G

E

I

I

D

D

I

I

L

L

V

V

N

N

A

A

G

G

M
x
I

L

T

T

R

Q

D

A

N

R

L

C

L

T

M

E

R

L

M

S

K

I

D

E

D

M

E

W

W

N

E

D

D

M

I

L

L

R

D

V

T

D

N

L

L

T

T

S

S

V

V

F

F

I

R

A

L

S

S

Q

K

R

A

A

V

L

M

P

C

H

A

M

M

L

M

A

K

Q

K

R

R

W

F

G

G

R

R

I

I

N

T

I

I

A

G

S

S

Q

V

L

V

G

G

I

T

K

M

G

G

G

N

A

A

E

G

L

Q

S

A

H

N

Y

Y

A

A

K

K

A

A

G

G

V

L

I

I

G

G

F

F

T

S

K

K

S

S

L

L

A

A

L

R

E

E

V

V

A

A

A

S

D

R

N

G

V

I

L

T

V

V

N

N

A

V

I

V

A

A

P

P

G

G

P

Y

I

I

E

E

T

T

P

D

L

M

V

T

A

R

G

A

I

L

S

T

E

D

S

D

W

Q

K

R

Q

A

A

G

K

I

S

L

A

S

E

S

L

V

P

P

L

A

R

N

R

R

F

P

G

G

L

D

A

A

T

K

E

E

V

I

A

A

P

S

T

A

A

V

V

A

L

F

L

L

A

A

S

S

D

D

P

E

G

A

G

G

N

Y

L

I

F

-

V

T

G

G

Q

E

T

T

L

L

G

H

P

V

N

N

A

G

G

G

D

M

V

Y

M

M

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G11 (= G13), S13 (≠ G15), R14 (≠ S16), T36 (≠ R38), N58 (≠ C60), V59 (= V61), I88 (≠ M93)

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)
37% identity, 96% coverage: 9:248/249 of query aligns to 8:243/244 of P0A2C9

query
sites
P0A2C9

A

A

V

L

I

V

T

T

G

G

A

A

G

S

S

R

G

G

I

I

G

G

A

R

A

A

I

I

A

A

R

E

A

T

Y

L

A

V

E

A

Q

R

G

G

A

A

R

K

L

V

V

I

-

G

-

T

-

A

L

T

A

S

D

E

R

N

D

G

A

A

E

K

R

N

L

I

T

S

-

D

A

Y

T

L

A

G

N

A

D

N

C

G

R

K

A

G

L

L

A

M

V

L

E

N

V

V

H

T

E

D

C

P

V

A

A

S

D

I

V

E

G

S

T

V

L

L

E

E

G

N

A

I

Q

R

A

A

G

-

V

-

D

-

A

-

C

-

V

-

E

-

H

E

F

F

G

G

G

E

I

V

D

D

I

I

L

L

V

V

N

N

A

A

G

G

M

I

L

T

T

R

Q

D

A

N

R

L

C

L

T

M

E

R

L

M

S

K

I

D

E

D

M

E

W

W

N

N

D

D

M

I

L

I

R

E

V

T

D

N

L

L

T

S

S

S

V

V

F

F

I

R

A

L

S

S

Q

K

R

A

A

V

L

M

P

R

H

A

M
|
M

L

M

A

K

Q

K

R

R

W

C

G

G

R

R

I

I

N

T

I

I

A

G

S

S

Q

V

L

V

G

G

I

T

K

M

G

G

G

N

A

A

E

G

L

Q

S

A

H

N

Y

Y

A

A

K

K

A

A

G

G

V

L

I

I

G

G

F

F

T

S

K

K

S

S

L

L

A

A

L

R

E

E

V

V

A

A

A

S

D

R

N

G

V

I

L

T

V

V

N

N

A

V

I

V

A

A

P

P

G

G

P

F

I

I

E

E

T

T

P

D

L

M

V

T

A

R

G

A

I

L

S

S

E

D

S

D

W

Q

K

R

Q

A

A

G

K

I

S

L

A

A

E

Q

L

V

P

P

L

A

R

G

R

R

F

L

G

G

L

G

A

A

T

Q

E

E

V

I

A

A

P

S

T

A

A

V

V

A

L

F

L

L

A
|
A

S
|
S

D

D

P

E

G

-

G

A

N

S

L

Y

F

I

V

T

G

G

Q

E

T

T

L

L

G

H

P

V

N

N

A

G

G

G

D

M

V

Y

M

M

M125 (= M129) mutation to I: Loss of the temperature-sensitive phenotype; when associated with T-223.
A223 (= A227) mutation to T: Loss of the temperature-sensitive phenotype; when associated with I-125.
S224 (= S228) 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.

1q7cA The structure of betaketoacyl-[acp] reductase y151f mutant in complex with NADPH fragment (see paper)
38% identity, 96% coverage: 9:248/249 of query aligns to 7:242/243 of 1q7cA

query
sites
1q7cA

A

A

V

L

I

V

T

T

G
|
G

A

A

G
x
S

S
x
R

G
|
G

I

I

G

G

A

R

A

A

I

I

A

A

R

E

A

T

Y

L

A

A

E

A

Q

R

G

G

A

A

R

K

L

V

V

I

L

G

A

T

D
x
A

R
x
T

D

S

A

E

E

N

R

G

L

A

T

Q

A

A

T

I

A

S

N

D

D

Y

C

L

R

G

A

A

L

N

A

G

V

K

E

G

V

L

H

M

E
x
L

C
x
N

V
|
V

A

T

D

D

V

P

G

A

T

S

L

I

E

E

G

S

A

V

Q

L

A

E

G

K

V

I

D

R

A

A

C

-

V

-

E

-

H

E

F

F

G

G

G

E

I

V

D

D

I

I

L

L

V

V

N

N

A

A

G
|
G

M
x
I

L

T

T

R

Q

D

A

N

R

L

C

L

T

M

E

R

L

M

S

K

I

D

E

E

M

E

W

W

N

N

D

D

M

I

L

I

R

E

V

T

D

N

L

L

T

S

S

S

V

V

F

F

I

R

A

L

S

S

Q

K

R

A

A

V

L

M

P

R

H

A

M

M

L

M

A

K

Q

K

R

R

W

H

G

G

R

R

I

I

N

T

I

I

A

G

S
|
S

Q

V

L

V

G

G

I

T

K

M

G

G

G

N

A

G

E

G

L
x
Q

S

A

H

N

Y
x
F

A

A

K
|
K

A

A

G

G

V

L

I

I

G

G

F

F

T

S

K

K

S

S

L

L

A

A

L

R

E

E

V

V

A

A

A

S

D

R

N

G

V

I

L

T

V

V

N

N

A

V

I

V

A

A

P

P

G

G

P

F

I

I

E

E

T

T

P

D

L

M

V

T

A

R

G

A

I

L

S

S

E

D

S

D

W

Q

K

R

Q

A

A

G

K

I

S

L

A

A

E

Q

L

V

P

P

L

A

R

G

R

R

F

L

G

G

L

G

A

A

T

Q

E

E

V

I

A

A

P

N

T

A

A

V

V

A

L

F

L

L

A

A

S

S

D

D

P

E

G

A

N

-

L

Y

F

I

V

T

G

G

Q

E

T

T

L

L

G

H

P

V

N

N

A

G

G

G

D

M

V

Y

M

M

active site: G15 (= G17), S137 (= S142), Q147 (≠ L152), F150 (≠ Y155), K154 (= K159)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G11 (= G13), S13 (≠ G15), R14 (≠ S16), A35 (≠ D37), T36 (≠ R38), L57 (≠ E59), N58 (≠ C60), V59 (= V61), G87 (= G92), I88 (≠ M93)

5itvA Crystal structure of bacillus subtilis bacc dihydroanticapsin 7- dehydrogenase in complex with nadh (see paper)
36% identity, 92% coverage: 1:229/249 of query aligns to 2:236/255 of 5itvA

query
sites
5itvA

M

I

Q

M

Q

N

L

L

F

T

N

D

R

K

R

T

A

V

V

L

I

I

T

T

G
|
G

A

G

G

A

S
|
S

G
|
G

I
|
I

G

G

A

Y

A

A

I

A

A

V

R

Q

A

A

Y

F

A

L

E

G

Q

Q

G

Q

A

A

R

N

L

V

V

V

L

V

A

A

D
|
D

R
x
I

D

D

-

E

-

A

-

Q

A

G

E

E

R

A

L

M

T

V

A

R

T

K

A

E

N

N

D

N

C

D

R

R

A

-

L

-

A

-

V

-

E

-

V

L

H

H

E

F

C

V

V

Q

A
x
T

D

D

V
x
I

G

T

T

D

L

E

E

A

G

A

A

C

Q

Q

A

H

G

A

V

V

D

E

A

S

C

A

V

V

E

H

H

T

F

F

G

G

I

L

D

D

I

V

L

L

V

I

N

N

N
|
N

A

A

G
|
G

M

I

L

E

T

I

Q

V

A

A

R

P

C

I

T

H

E

E

L

M

S

E

I

L

E

S

M

D

W

W

N

N

D

K

M

V

L

L

R

Q

V

V

D

N

L

L

T

T

S

G

V

M

F

F

I

L

A

M

S

S

Q

K

R

H

A

A

L

L

P

K

H

H

M

M

L

L

A

A

Q

A

R

G

W

K

G

G

R

N

I

I

N

N

I
x
T

A

C

S
|
S

Q

V

L

G

G

G

I

L

K

V

G

A

G

W

A

P

E

D

L

I

S

P

H

A

Y
|
Y

A

N

A

A

A

S

K
|
K

A

G

G

G

V

V

I

L

G

Q

F

L

T

T

K

K

S

S

L

M

A

A

L

V

E

D

V

Y

A

A

A

K

D

H

N

Q

V

I

L

R

V

V

N

N

A

C

I

V

A

C

P
|
P

G
|
G

P
x
I

I
|
I

E

D

T

T

P

P

L

L

-

N

-

E

-

K

-

S

-

F

-

L

-

E

-

N

V

N

A

E

G

G

I

T

S

L

E

E

S

E

W

I

K

K

Q

K

A

E

K

K

S

A

A

K

E

V

L

N

P

P

L

L

R

L

R

R

F

L

G

G

L

K

A

P

T

E

E

E

V

I

A

A

P

N

T

V

A

M

V

L

L

F

L

L

A

A

S

S

D

D

active site: G18 (= G17), S141 (= S142), Y154 (= Y155), K158 (= K159)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G13), S17 (= S16), G18 (= G17), I19 (= I18), D38 (= D37), I39 (≠ R38), T61 (≠ A62), I63 (≠ V64), N89 (= N90), G91 (= G92), T139 (≠ I140), S141 (= S142), Y154 (= Y155), K158 (= K159), P184 (= P185), G185 (= G186), I186 (≠ P187), I187 (= I188)

6t77A Crystal structure of klebsiella pneumoniae fabg(NADPH-dependent) NADP- complex at 1.75 a resolution (see paper)
37% identity, 96% coverage: 9:248/249 of query aligns to 8:243/244 of 6t77A

query
sites
6t77A

A

A

V

L

I

V

T

T

G
|
G

A

A

G
x
S

S
x
R

G
|
G

I

I

G

G

A

R

A

A

I

I

A

A

R

E

A

T

Y

L

A

V

E

A

Q

R

G

G

A

A

R

K

L

V

V

I

L

G

A

T

D

A

R
x
T

D

S

A

E

E

S

R

G

L

A

T

Q

A

A

T

I

A

S

N

D

D

Y

C

L

R

G

A

A

L

N

A

G

V

K

E

G

V

L

H

M

E
x
L

C
x
N

V
|
V

A

T

D

D

V

P

G

A

T

S

L

I

E

E

G

S

A

V

Q

L

A

E

G

N

V

V

D

R

A

A

C

-

V

-

E

-

H

E

F

F

G

G

G

E

I

V

D

D

I

I

L

L

V

V

N

N

A
|
A

G
|
G

M
x
I

L

T

T

R

Q

D

A

N

R

L

C

L

T

M

E

R

L

M

S

K

I

D

E

D

M

E

W

W

N

N

D

D

M

I

L

I

R

E

V

T

D

N

L

L

T

S

S

S

V

V

F

F

I

R

A

L

S

S

Q

K

R

A

A

V

L

M

P

R

H

A

M

M

L

M

A

K

Q

K

R

R

W

H

G

G

R

R

I

I

N

T

I

I

A

G

S
|
S

Q

V

L

V

G

G

I

T

K

M

G

G

G

N

A

A

E

G

L

Q

S

A

H

N

Y
|
Y

A

A

K

K

A

A

G

G

V

L

I

I

G

G

F

F

T

S

K

K

S

S

L

L

A

A

L

R

E

E

V

V

A

A

A

S

D

R

N

G

V

I

L

T

V

V

N

N

A

V

I

V

A

A

P

P

G

G

P

F

I

I

E

E

T

T

P

D

L

M

V

T

A

R

G

A

I

L

S

T

E

D

S

E

W

Q

K

R

Q

A

A

G

K

T

S

L

A

A

E

A

L

V

P

P

L

A

R

G

R

R

F

L

G

G

L

T

A

P

T

N

E

E

V

I

A

A

P

S

T

A

A

V

V

A

L

F

L

L

A

A

S

S

D

D

P

E

G

-

G

A

N

S

L

Y

F

I

V

T

G

G

Q

E

T

T

L

L

G

H

P

V

N

N

A

G

G

G

D

M

V

Y

M

M

active site: G16 (= G17), S138 (= S142), Y151 (= Y155)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G13), S14 (≠ G15), R15 (≠ S16), T37 (≠ R38), L58 (≠ E59), N59 (≠ C60), V60 (= V61), A87 (= A91), G88 (= G92), I89 (≠ M93)

1w4zA Structure of actinorhodin polyketide (actiii) reductase (see paper)
37% identity, 93% coverage: 9:240/249 of query aligns to 7:250/259 of 1w4zA

query
sites
1w4zA

A

A

V

L

I

V

T

T

G
|
G

A

A

G
x
T

S
|
S

G
|
G

I
|
I

G

G

A

L

A

E

I

I

A

A

R

R

A

R

Y

L

A

G

E

K

Q

E

G

G

A

L

R

R

L

V

V

F

L

V

A

C

D

A

R
|
R

D
x
G

A

E

E

E

R

G

L

L

T

R

A

T

T

T

A

L

N

K

D

E

C

L

R

R

A

E

L

A

A

G

V

V

E

E

V

A

H

D

E

G

C

R

V

T

A

C

D
|
D

V
|
V

G

R

T

S

L

V

E

P

G

E

A

I

Q

E

A

A

G

L

V

V

D

A

A

A

C

V

V

V

E

E

H

R

F

Y

G

G

G

P

I

V

D

D

I

V

L

L

V

V

N

N

N
|
N

A

A

G
|
G

M

R

L

P

T

G

Q

G

A

G

R

A

C

T

T

A

E

E

L

L

S

A

I

D

E

E

M

L

W

W

N

L

D

D

M

V

L

V

R

E

V

T

D
x
N

L

L

T

T

S

G

V

V

F

F

I

R

A

V

S

T

Q

K

R

Q

A

V

L

L

P

K

-

A

-

G

H

G

M

M

L

L

A

E

Q

R

R

G

W

T

G

G

R

R

I

I

I

V

N

N

I

I

A

A

S
|
S

Q

T

L

G

G

G

I

K

K

Q

G

G

G

V

A

V

E

H

L

A

S

A

H

P

Y
|
Y

A

S

A

A

A

S

K
|
K

A

H

G

G

V

V

I

V

G

G

F

F

T

T

K

K

S

A

L

L

A

G

L

L

E

E

V

L

A

A

A

R

D

T

N

G

V

I

L

T

V

V

N

N

A

A

I

V

A

C

P
|
P

G
|
G

P

F

I
x
V

E

E

T
|
T

P

P

L

M

V

A

A

A

G

S

I

V

S

R

E

E

S

H

-
x
Y

-

S

-

D

-

I

W

W

K

E

Q

V

A

S

K

T

-

E

-

A

-

F

-

D

-

R

-

I

S

T

A

A

E

R

L

V

P

P

L

I

R

G

R

R

F

Y

G

V

L

Q

A

P

T

S

E

E

V

V

A

A

P

E

T

M

A

V

V

A

L

Y

L

L

A

I

S

G

D

-

P

P

G

G

G

A

N

A

L

A

F

V

V

T

G

A

Q

Q

T

A

L

L

active site: G15 (= G17), N112 (≠ D114), S142 (= S142), Y155 (= Y155), K159 (= K159), Y200 (vs. gap)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G11 (= G13), T13 (≠ G15), S14 (= S16), G15 (= G17), I16 (= I18), R36 (= R38), G37 (≠ D39), D61 (= D63), V62 (= V64), N88 (= N90), G90 (= G92), S142 (= S142), Y155 (= Y155), K159 (= K159), P185 (= P185), G186 (= G186), V188 (≠ I188), T190 (= T190)

P16544 Putative ketoacyl reductase; EC 1.3.1.- from Streptomyces coelicolor (strain ATCC BAA-471 / A3(2) / M145) (see 2 papers)
37% identity, 93% coverage: 9:240/249 of query aligns to 9:252/261 of P16544

query
sites
P16544

A

A

V

L

I
x
V

T
|
T

G
|
G

A
|
A

G
x
T

S
|
S

G
|
G

I
|
I

G
|
G

A
x
L

A
x
E

I
|
I

A
|
A

R
|
R

A
x
R

Y
x
L

A
x
G

E
x
K

Q
x
E

G
|
G

A
x
L

R
|
R

L
x
V

V
x
F

L
x
V

A
x
C

D
x
A

R
|
R

D
x
G

A

E

E

E

R

G

L

L

T

R

A

T

T

T

A

L

N

K

D

E

C

L

R

R

A

E

L

A

A

G

V

V

E

E

V

A

H

D

E

G

C

R

V

T

A

C

D
|
D

V

V

G

R

T

S

L

V

E

P

G

E

A

I

Q

E

A

A

G

L

V

V

D

A

A

A

C

V

V

V

E

E

H

R

F

Y

G

G

G

P

I

V

D

D

I

V

L

L

V

V

N

N

A

A

G

G

M

R

L

P

T

G

Q

G

A

G

R

A

C

T

T

A

E

E

L

L

S

A

I

D

E

E

M

L

W

W

N

L

D

D

M

V

L

V

R

E

V

T

D

N

L

L

T

T

S

G

V

V

F

F

I

R

A

V

S

T

Q

K

R

Q

A

V

L

L

P

K

-

A

-

G

H

G

M

M

L

L

A

E

Q

R

R

G

W

T

G

G

R

R

I

I

I

V

N

N

I

I

A

A

S

S

Q

T

L

G

G

G

I

K

K

Q

G

G

G

V

A

V

E

H

L

A

S

A

H

P

Y

Y

A

S

A

A

A

S

K
|
K

A

H

G

G

V

V

I

V

G

G

F

F

T

T

K

K

S

A

L

L

A

G

L

L

E

E

V

L

A

A

A

R

D

T

N

G

V

I

L

T

V

V

N

N

A

A

I

V

A

C

P

P

G

G

P

F

I

V

E

E

T

T

P

P

L

M

V

A

A

A

G

S

I

V

S

R

E

E

S

H

-

Y

-

S

-

D

-

I

W

W

K

E

Q

V

A

S

K

T

-

E

-

A

-

F

-

D

-

R

-

I

S

T

A

A

E

R

L

V

P

P

L

I

R

G

R

R

F

Y

G

V

L

Q

A

P

T

S

E

E

V

V

A

A

P

E

T

M

A

V

V

A

L

Y

L

L

A

I

S

G

D

-

P

P

G

G

G

A

N

A

L

A

F

V

V

T

G

A

Q

Q

T

A

L

L

11:39 (vs. 11:39, 45% identical) binding
D63 (= D63) binding
K161 (= K159) binding

2rh4B Actinorhodin ketoreductase, actkr, with NADPH and inhibitor emodin (see paper)
37% identity, 93% coverage: 9:240/249 of query aligns to 16:259/268 of 2rh4B

query
sites
2rh4B

A

A

V

L

I

V

T

T

G
|
G

A

A

G
x
T

S
|
S

G
|
G

I
|
I

G

G

A

L

A

E

I

I

A

A

R

R

A

R

Y

L

A

G

E

K

Q

E

G

G

A

L

R

R

L

V

V

F

L

V

A

C

D
x
A

R
|
R

D
x
G

A

E

E

E

R

G

L

L

T

R

A

T

T

T

A

L

N

K

D

E

C

L

R

R

A

E

L

A

A

G

V

V

E

E

V

A

H

D

E

G

C

R

V

T

A
x
C

D
|
D

V
|
V

G

R

T

S

L

V

E

P

G

E

A

I

Q

E

A

A

G

L

V

V

D

A

A

A

C

V

V

V

E

E

H

R

F

Y

G

G

G

P

I

V

D

D

I

V

L

L

V

V

N

N

N
|
N

A

A

G

G

M

R

L

P

T

G

Q

G

A

G

R

A

C

T

T

A

E

E

L

L

S

A

I

D

E

E

M

L

W

W

N

L

D

D

M

V

L

V

R

E

V

T

D
x
N

L

L

T

T

S

G

V

V

F

F

I

R

A

V

S

T

Q

K

R

Q

A

V

L

L

P

K

-

A

-

G

H

G

M

M

L

L

A

E

Q

R

R

G

W

T

G

G

R

R

I

I

I

V

N

N

I

I

A

A

S
|
S

Q

T

L

G

G

G

I

K

K

Q

G

G

G

V

A

V

E

H

L

A

S

A

H

P

Y
|
Y

A

S

A

A

A

S

K
|
K

A

H

G

G

V

V

I

V

G

G

F

F

T

T

K

K

S

A

L

L

A

G

L

L

E

E

V

L

A

A

A

R

D

T

N

G

V

I

L

T

V

V

N

N

A

A

I

V

A

C

P

P

G
|
G

P

F

I
x
V

E

E

T
|
T

P

P

L
x
M

V

A

A

A

G

S

I

V

S

R

E

E

S

H

-
x
Y

-

S

-

D

-

I

W

W

K

E

Q

V

A

S

K

T

-

E

-

A

-

F

-

D

-

R

-

I

S

T

A

A

E

R

L

V

P

P

L

I

R

G

R

R

F

Y

G

V

L

Q

A

P

T

S

E

E

V

V

A

A

P

E

T

M

A

V

V

A

L

Y

L

L

A

I

S

G

D

-

P

P

G

G

G

A

N

A

L

A

F

V

V

T

G

A

Q

Q

T

A

L

L

active site: G24 (= G17), N121 (≠ D114), S151 (= S142), Y164 (= Y155), K168 (= K159), Y209 (vs. gap)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G20 (= G13), T22 (≠ G15), S23 (= S16), I25 (= I18), A44 (≠ D37), R45 (= R38), G46 (≠ D39), C69 (≠ A62), D70 (= D63), V71 (= V64), N97 (= N90), S151 (= S142), Y164 (= Y155), K168 (= K159), G195 (= G186), V197 (≠ I188), T199 (= T190), M201 (≠ L192)

Query Sequence

>Pf6N2E2_3703 FitnessBrowser__pseudo6_N2E2:Pf6N2E2_3703
MQQLFNRRAVITGAGSGIGAAIARAYAEQGARLVLADRDAERLTATANDCRALAVEVHEC
VADVGTLEGAQAGVDACVEHFGGIDILVNNAGMLTQARCTELSIEMWNDMLRVDLTSVFI
ASQRALPHMLAQRWGRIINIASQLGIKGGAELSHYAAAKAGVIGFTKSLALEVAADNVLV
NAIAPGPIETPLVAGISESWKQAKSAELPLRRFGLATEVAPTAVLLASDPGGNLFVGQTL
GPNAGDVMP

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