SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_001000837.1 NCBI__GCF_000382825.1:WP_001000837.1 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)

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)
34% identity, 98% coverage: 2:262/266 of query aligns to 1:243/247 of 3op4A

query
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3op4A

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binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G16), S17 (= S18), R18 (≠ S19), I20 (= I21), T40 (≠ L41), N62 (≠ D57), V63 (= V58), N89 (= N84), A90 (= A85), I92 (= I87), V139 (≠ M143), S141 (= S145), Y154 (= Y158), K158 (= K162), P184 (= P188), G185 (= G189), I187 (≠ M191), T189 (≠ A193), M191 (≠ G195)

4nbuB Crystal structure of fabg from bacillus sp (see paper)
31% identity, 96% coverage: 7:262/266 of query aligns to 5:241/244 of 4nbuB

query
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4nbuB

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active site: G18 (= G20), N111 (= N117), S139 (= S145), Q149 (= Q155), Y152 (= Y158), K156 (= K162)
binding acetoacetyl-coenzyme a: D93 (≠ P90), K98 (≠ E104), S139 (= S145), N146 (≠ S152), V147 (≠ E153), Q149 (= Q155), Y152 (= Y158), F184 (≠ I190), M189 (≠ A204), K200 (≠ D215)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G16), N17 (≠ S19), G18 (= G20), I19 (= I21), D38 (= D40), F39 (≠ L41), V59 (= V56), D60 (= D57), V61 (= V58), N87 (= N84), A88 (= A85), G89 (= G86), I90 (= I87), T137 (≠ M143), S139 (= S145), Y152 (= Y158), K156 (= K162), P182 (= P188), F184 (≠ I190), T185 (≠ M191), T187 (≠ A193), M189 (≠ A204)

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)
35% identity, 97% coverage: 5:262/266 of query aligns to 1:240/244 of P0AEK2

query
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P0AEK2

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GASR 12:15 (≠ GASS 16:19) binding NADP(+)
T37 (≠ L41) binding NADP(+)
NV 59:60 (≠ DV 57:58) binding NADP(+)
N86 (= N84) binding NADP(+)
Y151 (= Y158) mutation to F: Defect in the affinity for NADPH.
YAAAK 151:155 (≠ YAATK 158:162) binding NADP(+)
A154 (≠ T161) mutation to T: Decreases in the thermolability of the reductase; when associated with K-233.
K155 (= K162) mutation to A: Defect in the affinity for NADPH.
I184 (≠ M191) binding NADP(+)
E233 (≠ V255) mutation to K: Decreases in the thermolability of the reductase; when associated with T-154.

3ak4A Crystal structure of nadh-dependent quinuclidinone reductase from agrobacterium tumefaciens
33% identity, 97% coverage: 5:262/266 of query aligns to 3:254/258 of 3ak4A

query
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3ak4A

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active site: G18 (= G20), S141 (= S145), L151 (≠ Q155), Y154 (= Y158), K158 (= K162), E199 (= E202)
binding nicotinamide-adenine-dinucleotide: K17 (≠ S19), G18 (= G20), I19 (= I21), D38 (= D43), L39 (≠ N44), V60 (= V56), D61 (= D57), V62 (= V58), N88 (= N84), A89 (= A85), G90 (= G86), T139 (≠ M143), S141 (= S145), Y154 (= Y158), K158 (= K162), G185 (= G189), V187 (≠ M191), T189 (vs. gap), M191 (≠ T194)

4nbtA Crystal structure of fabg from acholeplasma laidlawii (see paper)
35% identity, 96% coverage: 7:262/266 of query aligns to 3:236/239 of 4nbtA

query
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4nbtA

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L

D
x
N

V
|
V

T

T

S

D

R

V

S

T

E

G

V

V

E

E

E

K

G

F

V

Y

A

Q

K

S

I

V

V

I

E

D

R

K

F

Y

G

G

N

K

I

I

D

D

A

I

V

L

V

V

N

N

N
|
N

A
|
A

G
|
G

I

I

N

T

I

-

P

-

R

-

L

-

I

K

D

D

A

A

E

M

N

T

P

R

K

K

G

-

P

-

Y

-

E

-

L

M

D

T

D

E

E

A

T

Q

F

W

E

D

K

A

V

V

T

I

M

D

I

V

N

N

Q

L

K

K

G

G

L

V

Y

F

L

N

V

L

S

T

Q

R

A

L

V

V

G

G

R

P

I

Q

L

M

V

Q

K

T

N

N

G

G

K

Y

G

G

V

S

I

I

V

I

N

N

M
x
I

A

S

S
|
S

E

V

A

V

G

G

L

V

E

F

G

G

S

N

E

I

G

G

Q

Q

S

A

A

N

Y
|
Y

A

A

T

T

K
|
K

A

A

A

G

V

V

Y

I

S

G

Y

L

T

T

R

M

S

T

W

W

A

A

K

K

E

E

L

F

G

A

K

L

H

K

G

G

-

A

-

N

V

V

R

R

V

V

V

N

G

A

I

I

A

A

P
|
P

G
|
G

I

Y

M
x
I

E

M

A
x
T

T

D

G

I

L

L

R

K

T

T

L

V

S

P

Y

-

E

-

A

-

L

-

A

-

Y

-

T

-

R

-

G

-

K

-

T

-

V

-

E

Q

D

D

I

L

R

L

A

D

G

K

Y

F

A

A

S

-

T

-

S

A

T

L

T

T

P

M

L

L

G

N

R

R

S

L

G

G

K

Q

L

P

R

E

E

E

V

I

A

A

D

K

L

V

V

A

A

L

F

F

Y

L

I

A

S

S

D

D

R

D

S

A

S

S

Y

Y

I

V

T

T

G

G

V

Q

T

T

T

I

N

N

I

V

A

N

G

G

active site: G16 (= G20), S132 (= S145), Y145 (= Y158), K149 (= K162)
binding nicotinamide-adenine-dinucleotide: G12 (= G16), K15 (≠ S19), G16 (= G20), L17 (≠ I21), D36 (= D40), L37 (= L41), L52 (≠ V56), N53 (≠ D57), V54 (= V58), N80 (= N84), A81 (= A85), G82 (= G86), I130 (≠ M143), S132 (= S145), Y145 (= Y158), K149 (= K162), P177 (= P188), G178 (= G189), I180 (≠ M191), T182 (≠ A193)

1q7bA The structure of betaketoacyl-[acp] reductase from e. Coli in complex with NADP+ (see paper)
35% identity, 97% coverage: 6:262/266 of query aligns to 1:239/243 of 1q7bA

query
sites
1q7bA

N

N

I

F

K

E

G

G

K

K

T

I

V

A

L

L

V

V

T

T

G
|
G

A

A

S
|
S

S
x
R

G
|
G

I

I

G

G

K

R

A

A

I

I

V

A

E

E

E

T

L

L

L

A

E

A

L

R

G

G

V

A

N

K

V

V

A

I

N

G

F

T

D

A

L
x
T

S

S

D

E

N

N

-

G

-

A

-

Q

-

A

-

I

-

S

D

D

L

Y

R

L

H

G

P

A

N

N

L

G

L

K

F

G

V

L

K

M

V

L

D
x
N

V
|
V

T

T

S

D

R

P

S

A

E

S

V

I

E

E

E

S

G

V

V

L

A

E

K

K

I

I

V

R

E

A

R

E

F

F

G

G

N

E

I

V

D

D

A

I

V

L

V

V

N

N

N
|
N

A
|
A

G
|
G

I
|
I

N

T

I

R

P

D

R

N

L

L

I

M

D

-

A

-

E

-

N

-

P

-

K

-

G

-

P

-

Y

-

E

R

L

M

D

K

D

D

E

E

T
x
E

F

W

E

N

K

D

V

I

T

I

M

E

I

T

N

N

Q

L

K

S

G

S

L

V

Y

F

L

R

V

L

S

S

Q

K

A

A

V

V

G

M

R

R

I

A

L

M

V

M

K

K

N

K

G

R

K

H

G

G

V

R

I

I

V

I

N

T

M

I

A

G

S
|
S

E

V

A

V

G

G

L

T

E

M

G

G

S

N

E

G

G

G

Q
|
Q

S

A

A

N

Y
|
Y

A

A

T

A

K
|
K

A

A

A

G

V

L

Y

I

S

G

Y

F

T

S

R

K

S

S

W

L

A

A

K

R

E

E

L

V

G

A

K

S

H

R

G

G

V

I

R

T

V

V

V

N

G

V

I

V

A

A

P
|
P

G
|
G

I

F

M
x
I

E

E

A

T

T

D

G

M

L

T

R

R

T

A

L

L

S

S

Y

-

E

-

A

-

L

-

A

-

Y

-

T

-

R

-

G

-

K

-

T

-

V

-

E

D

D

D

I

Q

R

R

A

A

G

G

Y

I

A

-

S

-

T

L

S

A

T

Q

T

V

P

P

L

A

G

G

R

R

S

L

G

G

K

G

L

A

R

Q

E

E

V

I

A

A

D

N

L

A

V

V

A

A

F

F

Y

L

I

A

S

S

D

D

R

E

S

A

Y

Y

I

I

T

T

G

G

V
x
E

T
|
T

T

L

N

H

I

V

A

N

G

G

active site: G15 (= G20), E101 (≠ T109), S137 (= S145), Q147 (= Q155), Y150 (= Y158), K154 (= K162)
binding calcium ion: E232 (≠ V255), T233 (= T256)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G11 (= G16), S13 (= S18), R14 (≠ S19), T36 (≠ L41), N58 (≠ D57), V59 (= V58), N85 (= N84), A86 (= A85), G87 (= G86), I88 (= I87), S137 (= S145), Y150 (= Y158), K154 (= K162), P180 (= P188), G181 (= G189), I183 (≠ M191)

5itvA Crystal structure of bacillus subtilis bacc dihydroanticapsin 7- dehydrogenase in complex with nadh (see paper)
35% identity, 98% coverage: 5:264/266 of query aligns to 3:253/255 of 5itvA

query
sites
5itvA

L

M

N

N

I

L

K

T

G

D

K

K

T

T

V

V

L

L

V

I

T

T

G
|
G

A

G

S

A

S
|
S

G
|
G

I
|
I

G

G

K

Y

A

A

I

A

V

V

E

Q

E

A

L

F

L

L

E

G

L

Q

G

Q

V

A

N

N

V

V

A

V

N

V

F

A

D
|
D

L
x
I

S

D

D

E

N

A

D

Q

-

G

-

E

-

A

-

M

L

V

R

R

H

K

P

E

N

N

-

N

-

D

-

R

L

L

L

H

F

F

V

V

K

Q

V
x
T

D

D

V
x
I

T

T

S

D

R

E

S

A

E

A

V

C

E

Q

E

H

G

A

V

V

A

E

K

S

I

A

V

V

E

H

R

T

F

F

G

G

N

G

I

L

D

D

A

V

V

L

V

I

N

N

N
|
N

A

A

G
|
G

I

I

N

E

I

I

P

V

R

A

L

-

I

-

D

-

A

-

E

-

N

-

P

P

K

I

G

H

P

E

Y

M

E

E

L

L

D

S

D

D

E

-

T

-

F

W

E

N

K

K

V

V

T

L

M

Q

I

V

N

N

Q

L

K

T

G

G

L

M

Y

F

L

L

V

M

S

S

Q

K

A

H

V

A

G

L

R

K

I

H

L

M

V

L

K

A

N

A

G

G

K

K

G

G

V

N

I

I

V

I

N

N

M
x
T

A

C

S
|
S

E

V

A

G

G

G

L

L

E

V

G

A

S

W

E

P

G

D

Q

I

S

P

A

A

Y
|
Y

A

N

A

A

T

S

K
|
K

A

G

V

V

Y

L

S

Q

Y

L

T

T

R

K

S

S

W

M

A

A

K

V

E

D

L

Y

G

A

K

K

H

H

G

Q

V

I

R

R

V

V

V

N

G

C

I

V

A

C

P
|
P

G
|
G

I
|
I

M
x
I

E

D

A

-

T

T

G

P

L

L

R

N

T

E

L

K

S

S

Y

F

E

L

E

E

A

-

L

-

A

-

Y

-

T

N

R

N

G

E

K

G

T

T

V

L

E

E

D

E

I

I

R

K

A

K

G

E

Y

K

A

A

S

K

T

V

S

N

T

-

P

P

L

L

G

L

R

R

S

L

G

G

K

K

L

P

R

E

E

E

V

I

A

A

D

N

L

V

V

M

A

L

F

F

Y

L

I

A

S

S

D

D

R

L

S

S

Y

Y

I

M

T

T

G

G

V

S

T

A

T

I

N

T

I

A

A

D

G

G

K

Y

T

T

active site: G18 (= G20), S141 (= S145), Y154 (= Y158), K158 (= K162)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G16), S17 (= S19), G18 (= G20), I19 (= I21), D38 (= D40), I39 (≠ L41), T61 (≠ V56), I63 (≠ V58), N89 (= N84), G91 (= G86), T139 (≠ M143), S141 (= S145), Y154 (= Y158), K158 (= K162), P184 (= P188), G185 (= G189), I186 (= I190), I187 (≠ M191)

1q7cA The structure of betaketoacyl-[acp] reductase y151f mutant in complex with NADPH fragment (see paper)
35% identity, 97% coverage: 6:262/266 of query aligns to 1:239/243 of 1q7cA

query
sites
1q7cA

N

N

I

F

K

E

G

G

K

K

T

I

V

A

L

L

V

V

T

T

G
|
G

A

A

S
|
S

S
x
R

G
|
G

I

I

G

G

K

R

A

A

I

I

V

A

E

E

E

T

L

L

L

A

E

A

L

R

G

G

V

A

N

K

V

V

A

I

N

G

F

T

D
x
A

L
x
T

S

S

D

E

N

N

-

G

-

A

-

Q

-

A

-

I

-

S

D

D

L

Y

R

L

H

G

P

A

N

N

L

G

L

K

F

G

V

L

K

M

V
x
L

D
x
N

V
|
V

T

T

S

D

R

P

S

A

E

S

V

I

E

E

E

S

G

V

V

L

A

E

K

K

I

I

V

R

E

A

R

E

F

F

G

G

N

E

I

V

D

D

A

I

V

L

V

V

N

N

A

A

G
|
G

I
|
I

N

T

I

R

P

D

R

N

L

L

I

M

D

-

A

-

E

-

N

-

P

-

K

-

G

-

P

-

Y

-

E

R

L

M

D

K

D

D

E

E

T

E

F

W

E

N

K

D

V

I

T

I

M

E

I

T

N

N

Q

L

K

S

G

S

L

V

Y

F

L

R

V

L

S

S

Q

K

A

A

V

V

G

M

R

R

I

A

L

M

V

M

K

K

N

K

G

R

K

H

G

G

V

R

I

I

V

I

N

T

M

I

A

G

S
|
S

E

V

A

V

G

G

L

T

E

M

G

G

S

N

E

G

G

G

Q
|
Q

S

A

A

N

Y
x
F

A

A

T

A

K
|
K

A

A

A

G

V

L

Y

I

S

G

Y

F

T

S

R

K

S

S

W

L

A

A

K

R

E

E

L

V

G

A

K

S

H

R

G

G

V

I

R

T

V

V

V

N

G

V

I

V

A

A

P

P

G

G

I

F

M

I

E

E

A

T

T

D

G

M

L

T

R

R

T

A

L

L

S

S

Y

-

E

-

A

-

L

-

A

-

Y

-

T

-

R

-

G

-

K

-

T

-

V

-

E

D

D

D

I

Q

R

R

A

A

G

G

Y

I

A

-

S

-

T

L

S

A

T

Q

T

V

P

P

L

A

G

G

R

R

S

L

G

G

K

G

L

A

R

Q

E

E

V

I

A

A

D

N

L

A

V

V

A

A

F

F

Y

L

I

A

S

S

D

D

R

E

S

A

Y

Y

I

I

T

T

G

G

V

E

T

T

T

L

N

H

I

V

A

N

G

G

active site: G15 (= G20), S137 (= S145), Q147 (= Q155), F150 (≠ Y158), K154 (= K162)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G11 (= G16), S13 (= S18), R14 (≠ S19), A35 (≠ D40), T36 (≠ L41), L57 (≠ V56), N58 (≠ D57), V59 (= V58), G87 (= G86), I88 (= I87)

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)
34% identity, 97% coverage: 5:262/266 of query aligns to 1:240/244 of P0A2C9

query
sites
P0A2C9

L

M

N

S

I

F

K

E

G

G

K

K

T

I

V

A

L

L

V

V

T

T

G

G

A

A

S

S

S

R

G

G

I

I

G

G

K

R

A

A

I

I

V

A

E

E

E

T

L

L

L

V

E

A

L

R

G

G

V

A

N

K

V

V

A

I

N

G

F

T

D

A

L

T

S

S

D

E

N

N

-

G

-

A

-

K

-

N

-

I

-

S

D

D

L

Y

R

L

H

G

P

A

N

N

L

G

L

K

F

G

V

L

K

M

V

L

D

N

V

V

T

T

S

D

R

P

S

A

E

S

V

I

E

E

E

S

G

V

V

L

A

E

K

N

I

I

V

R

E

A

R

E

F

F

G

G

N

E

I

V

D

D

A

I

V

L

V

V

N

N

A

A

G

G

I

I

N

T

I

R

P

D

R

N

L

L

I

M

D

-

A

-

E

-

N

-

P

-

K

-

G

-

P

-

Y

-

E

R

L

M

D

K

D

D

E

D

T

E

F

W

E

N

K

D

V

I

T

I

M

E

I

T

N

N

Q

L

K

S

G

S

L

V

Y

F

L

R

V

L

S

S

Q

K

A

A

V

V

G

M

R

R

I

A

L
x
M

V

M

K

K

N

K

G

R

K

C

G

G

V

R

I

I

V

I

N

T

M

I

A

G

S

S

E

V

A

V

G

G

L

T

E

M

G

G

S

N

E

A

G

G

Q

Q

S

A

A

N

Y

Y

A

A

T

A

K

K

A

A

A

G

V

L

Y

I

S

G

Y

F

T

S

R

K

S

S

W

L

A

A

K

R

E

E

L

V

G

A

K

S

H

R

G

G

V

I

R

T

V

V

V

N

G

V

I

V

A

A

P

P

G

G

I

F

M

I

E

E

A

T

T

D

G

M

L

T

R

R

T

A

L

L

S

S

Y

-

E

-

A

-

L

-

A

-

Y

-

T

-

R

-

G

-

K

-

T

-

V

-

E

D

D

D

I

Q

R

R

A

A

G

G

Y

I

A

-

S

-

T

L

S

A

T

Q

T

V

P

P

L

A

G

G

R

R

S

L

G

G

K

G

L

A

R

Q

E

E

V

I

A

A

D

S

L

A

V

V

A

A

F

F

Y

L

I
x
A

S
|
S

D

D

R

E

S

A

S

S

Y

Y

I

I

T

T

G

G

V

E

T

T

T

L

N

H

I

V

A

N

G

G

M125 (≠ L132) mutation to I: Loss of the temperature-sensitive phenotype; when associated with T-223.
A223 (≠ I245) mutation to T: Loss of the temperature-sensitive phenotype; when associated with I-125.
S224 (= S246) 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.

4i08A Crystal structure of beta-ketoacyl-acyl carrier protein reductase (fabg) from vibrio cholerae in complex with NADPH (see paper)
34% identity, 98% coverage: 2:262/266 of query aligns to 1:239/243 of 4i08A

query
sites
4i08A

N

S

D

Q

W

F

L

M

N

N

I

L

K

E

G

G

K

K

T

V

V

A

L

L

V

V

T

T

G
|
G

A

A

S
|
S

S
x
R

G
|
G

I
|
I

G

G

K

K

A

A

I

I

V

A

E

E

E

L

L

L

L

A

E

E

L

R

G

G

V

A

N

K

V

V

A

I

N

G

F

T

D

A

L
x
T

S

S

D

E

N

S

-

G

-

A

-

Q

-

A

-

I

-

S

D

D

L

Y

R

L

H

G

P

D

N

N

L

G

L

K

F

G

V

M

K

A

V

L

D
x
N

V
|
V

T

T

S

N

R

P

S

E

E

S

V

I

E

E

E

A

G

V

V

L

A

K

K

A

I

I

V

T

E

D

R

E

F

F

G

G

N

G

I

V

D

D

A

I

V

L

V

V

N

N

N
|
N

A
|
A

G

G

I

I

N

T

I

R

P

D

R

N

L

L

I

M

D

-

A

-

E

-

N

-

P

-

K

-

G

-

P

-

Y

-

E

R

L

M

D

K

D

E

E

E

T

E

F

W

E

S

K

D

V

I

T

M

M

E

I

T

N
|
N

Q

L

K

T

G

S

L

I

Y

F

L

R

V

L

S

S

Q

K

A

A

V

V

G

L

R

R

I

G

L

M

V

M

K

K

N

K

G

R

K

Q

G

G

V

R

I

I

V

I

N

N

M

V

A
x
G

S
|
S

E

V

A

V

G

G

L

T

E

M

G

G

S

N

E

A

G

G

Q
|
Q

S

A

A

N

Y
|
Y

A

A

T

A

K
|
K

A

A

A

G

V

V

Y

I

S

G

Y

F

T

T

R

K

S

S

W

M

A

A

K

R

E

E

L

V

G

A

K

S

H

R

G

G

V

V

R

T

V

V

V

N

G

T

I

V

A

A

P
|
P

G
|
G

I

F

M

I

E

E

A
x
T

T

-

G

-

L

-

R

-

T

D

L

M

S

N

Y

D

E

E

E

Q

A

R

L

-

A

-

Y

-

T

-

R

-

G

-

K

-

T

-

V

-

E

-

D

-

I

-

R

-

A

-

G

-

Y

T

A

A

S

T

T

L

S

A

T

Q

T

V

P

P

L

A

G

G

R

R

S

L

G

G

K

D

L

P

R

R

E

E

V

I

A

A

D

S

L

A

V

V

A

A

F

F

Y

L

I

A

S

S

D

P

R

E

S

A

Y

Y

I

I

T

T

G

G

V

E

T

T

T

L

N

H

I

V

A

N

G

G

active site: G19 (= G20), N113 (= N117), S141 (= S145), Q151 (= Q155), Y154 (= Y158), K158 (= K162)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G15 (= G16), S17 (= S18), R18 (≠ S19), I20 (= I21), T40 (≠ L41), N62 (≠ D57), V63 (= V58), N89 (= N84), A90 (= A85), G140 (≠ A144), S141 (= S145), Y154 (= Y158), K158 (= K162), P184 (= P188), G185 (= G189), T189 (≠ A193)

6t77A Crystal structure of klebsiella pneumoniae fabg(NADPH-dependent) NADP- complex at 1.75 a resolution (see paper)
33% identity, 97% coverage: 5:262/266 of query aligns to 1:240/244 of 6t77A

query
sites
6t77A

L

M

N

S

I

F

K

E

G

G

K

K

T

I

V

A

L

L

V

V

T

T

G
|
G

A

A

S
|
S

S
x
R

G
|
G

I

I

G

G

K

R

A

A

I

I

V

A

E

E

E

T

L

L

L

V

E

A

L

R

G

G

V

A

N

K

V

V

A

I

N

G

F

T

D

A

L
x
T

S

S

D

E

N

S

-

G

-

A

-

Q

-

A

-

I

-

S

D

D

L

Y

R

L

H

G

P

A

N

N

L

G

L

K

F

G

V

L

K

M

V
x
L

D
x
N

V
|
V

T

T

S

D

R

P

S

A

E

S

V

I

E

E

E

S

G

V

V

L

A

E

K

N

I

V

V

R

E

A

R

E

F

F

G

G

N

E

I

V

D

D

A

I

V

L

V

V

N

N

A
|
A

G
|
G

I
|
I

N

T

I

R

P

D

R

N

L

L

I

M

D

-

A

-

E

-

N

-

P

-

K

-

G

-

P

-

Y

-

E

R

L

M

D

K

D

D

E

D

T

E

F

W

E

N

K

D

V

I

T

I

M

E

I

T

N

N

Q

L

K

S

G

S

L

V

Y

F

L

R

V

L

S

S

Q

K

A

A

V

V

G

M

R

R

I

A

L

M

V

M

K

K

N

K

G

R

K

H

G

G

V

R

I

I

V

I

N

T

M

I

A

G

S
|
S

E

V

A

V

G

G

L

T

E

M

G

G

S

N

E

A

G

G

Q

Q

S

A

A

N

Y
|
Y

A

A

T

A

K

K

A

A

A

G

V

L

Y

I

S

G

Y

F

T

S

R

K

S

S

W

L

A

A

K

R

E

E

L

V

G

A

K

S

H

R

G

G

V

I

R

T

V

V

V

N

G

V

I

V

A

A

P

P

G

G

I

F

M

I

E

E

A

T

T

D

G

M

L

T

R

R

T

A

L

L

S

T

Y

D

E

E

E

Q

A

-

L

-

A

-

Y

-

T

-

R

-

G

-

K

-

T

-

V

-

E

-

D

-

I

-

R

R

A

A

G

G

Y

-

A

-

S

T

T

L

S

A

T

A

T

V

P

P

L

A

G

G

R

R

S

L

G

G

K

T

L

P

R

N

E

E

V

I

A

A

D

S

L

A

V

V

A

A

F

F

Y

L

I

A

S

S

D

D

R

E

S

A

S

S

Y

Y

I

I

T

T

G

G

V

E

T

T

T

L

N

H

I

V

A

N

G

G

active site: G16 (= G20), S138 (= S145), Y151 (= Y158)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G16), S14 (= S18), R15 (≠ S19), T37 (≠ L41), L58 (≠ V56), N59 (≠ D57), V60 (= V58), A87 (= A85), G88 (= G86), I89 (= I87)

4jroC Crystal structure of 3-oxoacyl-[acyl-carrier protein]reductase (fabg) from listeria monocytogenes in complex with NADP+
33% identity, 97% coverage: 5:262/266 of query aligns to 1:244/247 of 4jroC

query
sites
4jroC

L

M

N

T

I

L

K

Q

G

G

K

K

T

V

V

A

L

V

V

V

T

T

G
|
G

A

G

S
|
S

S
x
R

G
|
G

I
|
I

G

G

K

R

A

D

I

I

V

A

E

I

E

N

L

L

L

A

E

K

L

E

G

G

V

A

N

N

V

I

A

F

-

F

N
|
N

F
x
Y

D
x
N

L
x
G

S
|
S

D

P

N

E

D

A

L

A

R

E

H

E

P

T

N

A

L

K

L

L

F

V

-

A

-

E

-

H

-

G

-

V

-

E

-

V

-

E

-

A

V

M

K

K

V

A

D
x
N

V
|
V

T

A

S

I

R

A

S

E

E

D

V

V

E

D

E

A

G

F

V

F

A

K

K

Q

I

A

V

I

E

E

R

R

F

F

G

G

N

R

I

V

D

D

A

I

V

L

V

V

N

N

N
|
N

A
|
A

G

G

I
|
I

N

T

I

R

P

D

R

N

L

L

I

M

D

-

A

-

E

-

N

-

P

-

K

-

G

-

P

-

Y

-

E

R

L

M

D

K

D

E

E

D

T

E

F

W

E

D

K

D

V

V

T

I

M

N

I
|
I

N

N

Q

L

K

K

G

G

L

T

Y

F

L

L

V

C

S

T

Q

K

A

A

V

V

G

S

R

R

I

T

L

M

V

M

K

K

N

Q

G

R

K

A

G

G

V

K

I

I

V

I

N

N

M

M

A

A

S
|
S

E

V

A

V

G

G

L

L

E

I

G

G

S

N

E

A

G

G

Q
|
Q

S

A

A

N

Y
|
Y

A

V

A

A

T

S

K
|
K

A

A

A

G

V

V

Y

I

S

G

Y

L

T

T

R

K

S

T

W

T

A

A

K

R

E

E

L

L

G

A

K

P

H

R

G

G

V

I

R

N

V

V

V

N

G

A

I

V

A

A

P
|
P

G

G

I

F

M
x
I

E

-

A

-

T

-

G

-

L

-

R

-

T

T

L
x
T

S

D

Y

M

E

T

E

D

A

K

L

L

A

-

Y

-

T

-

R

-

G

-

K

-

T

-

V

-

E

-

D

D

I

E

R

K

A

T

G

K

Y

E

A

A

S

M

T

L

S

A

T

Q

T

I

P

P

L

L

G

G

R

A

S

Y

G

G

K

T

L

T

R

E

E

D

V

I

A

A

D

N

L

A

V

V

A

L

F

F

Y

L

I

A

S

S

D

D

R

A

S

S

S

K

Y

Y

I

I

T

T

G

G

V

Q

T

T

T

L

N

S

I

V

A

D

G

G

active site: G16 (= G20), S142 (= S145), Q152 (= Q155), Y155 (= Y158), K159 (= K162)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G16), S14 (= S18), R15 (≠ S19), G16 (= G20), I17 (= I21), N35 (= N38), Y36 (≠ F39), N37 (≠ D40), G38 (≠ L41), S39 (= S42), N63 (≠ D57), V64 (= V58), N90 (= N84), A91 (= A85), I93 (= I87), I113 (= I116), S142 (= S145), Y155 (= Y158), K159 (= K162), P185 (= P188), I188 (≠ M191), T190 (≠ L199)

4dmmB 3-oxoacyl-[acyl-carrier-protein] reductase from synechococcus elongatus pcc 7942 in complex with NADP
35% identity, 97% coverage: 5:262/266 of query aligns to 1:236/240 of 4dmmB

query
sites
4dmmB

L

L

N

P

I

L

K

T

G

D

K

R

T

I

V

A

L

L

V

V

T

T

G
|
G

A

A

S
|
S

S
x
R

G
|
G

I
|
I

G

G

K

R

A

A

I

I

V

A

E

L

E

E

L

L

L

A

E

A

L

A

G

G

V

A

N

K

V

V

A

A

-

V

N

N

F

Y

D
x
A

L
x
S

S
|
S

D

A

N

G

D

A

L

A

R

D

H

E

P

V

N

V

L

A

F

I

V

A

-

A

-

G

-

E

-

A

-

F

-

A

-

V

K

K

V
x
A

D
|
D

V
|
V

T

S

S

Q

R

E

S

S

E

E

V

V

E

E

E

A

G

L

V

F

A

A

K

A

I

V

V

I

E

E

R

R

F

W

G

G

N

R

I

L

D

D

A

V

V

L

V

V

N

N

N
|
N

A
|
A

G

G

I

I

N

T

I

R

P

D

R

T

L

L

I

L

D

-

A

-

E

-

N

-

P

-

K

-

G

-

P

-

Y

-

E

R

L

M

D

K

D

R

E

D

T

D

F

W

E

Q

K

S

V

V

T

L

M

D

I
x
L

N

N

Q

L

K

G

G

G

L

V

Y

F

L

L

V

C

S

S

Q

R

A

A

V

A

G

A

R

K

I

I

L

M

V

L

K

K

N

Q

G

R

K

S

G

G

V

R

I

I

V

I

N

N

M
x
I

A

A

S
|
S

E

V

A

V

G

G

L

E

E

M

G

G

S

N

E

P

G

G

Q
|
Q

S

A

A

N

Y
|
Y

A

S

A

A

T

A

K
|
K

A

A

A

G

V

V

Y

I

S

G

Y

L

T

T

R

K

S

T

W

V

A

A

K

K

E

E

L

L

G

A

K

S

H

R

G

G

V

I

R

T

V

V

V

N

G

A

I

V

A

A

P
|
P

G
|
G

I

F

M
x
I

E

-

A

A

T
|
T

G

D

L
x
M

R

T

T

S

L

L

S

-

Y

-

E

-

A

-

L

-

A

-

Y

-

T

-

R

-

G

-

K

-

T

-

V

-

E

-

D

-

I

-

R

-

A

-

G

-

Y

-

A

-

S

-

T

L

S

E

T

V

T

I

P

P

L

L

G

G

R

R

S

Y

G

G

K

E

L

A

R

A

E

E

V

V

A

A

D

G

L

V

V

V

A

R

F

F

Y

L

I

A

S

A

D

D

-

P

R

A

S

A

Y

Y

I

I

T

T

G

G

V

Q

T

V

T

I

N

N

I

I

A

D

G

G

active site: G16 (= G20), S142 (= S145), Q152 (= Q155), Y155 (= Y158), K159 (= K162)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G16), S14 (= S18), R15 (≠ S19), G16 (= G20), I17 (= I21), A37 (≠ D40), S38 (≠ L41), S39 (= S42), A62 (≠ V56), D63 (= D57), V64 (= V58), N90 (= N84), A91 (= A85), L113 (≠ I116), I140 (≠ M143), S142 (= S145), Y155 (= Y158), K159 (= K162), P185 (= P188), G186 (= G189), I188 (≠ M191), T190 (= T194), M192 (≠ L196)

3osuA Crystal structure of the 3-oxoacyl-acyl carrier protein reductase, fabg, from staphylococcus aureus
32% identity, 95% coverage: 10:262/266 of query aligns to 5:243/246 of 3osuA

query
sites
3osuA

K

K

T

S

V

A

L

L

V

V

T

T

G

G

A

A

S

S

S

R

G
|
G

I

I

G

G

K

R

A

S

I

I

V

A

E

L

E

Q

L

L

L

A

E

E

L

E

G

G

V

Y

N

N

V

V

A

A

-

V

N

N

F

Y

D

A

-

G

-

S

-

K

-

E

-

K

-

A

-

E

-

A

-

V

L

V

S

E

D

E

N

I

D

K

L

A

R

K

H

G

P

V

N

D

L

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L

F

F

A

V

I

K

Q

V

A

D

N

V

V

T

A

S

D

R

A

S

D

E

E

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V

E

K

E

A

G

M

V

I

A

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K

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I

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R

Q

F

F

G

G

N

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D

D

A

V

V

L

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V

N

N

N
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N

A

A

G

G

I

I

N

T

I

R

P

D

R

N

L

L

I

M

D

-

A

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-

N

-

P

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K

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G

-

P

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Y

-

E

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L

M

D

K

D

E

E

Q

T

E

F

W

E

D

K

D

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V

T

I

M

D

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T

N

N

Q

L

K

K

G

G

L

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Y

F

L

N

V

C

S

I

Q

Q

A

K

V

A

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M

V

L

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N

Q

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G

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I

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I

N

N

M

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S
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S

E

V

A

V

G

G

L

A

E

V

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G

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G

G

Q
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Q

S

A

A

N

Y
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Y

A

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A

A

T

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K
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K

A

A

A

G

V

V

Y

I

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Y

L

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R

K

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W

A

A

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K

R

E

E

L

L

G

A

K

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H

R

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I

R

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V

V

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N

G

A

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A

P

P

G

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M

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A

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D

G

M

L

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R

D

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A

L

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S

Y

D

E

E

E

-

A

-

L

-

A

-

Y

-

T

L

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K

G

E

K

Q

T

M

V

L

E

T

D

Q

I

I

R

-

A

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G

-

Y

-

A

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S

-

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-

S

-

T

-

P

P

L

L

G

A

R

R

S

F

G

G

K

Q

L

D

R

T

E

D

V

I

A

A

D

N

L

T

V

V

A

A

F

F

Y

L

I

A

S

S

D

D

R

K

S

A

S

K

Y

Y

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I

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G

G

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Q

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T

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N

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I

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G

G

active site: G15 (= G20), S141 (= S145), Q151 (= Q155), Y154 (= Y158), K158 (= K162)
binding magnesium ion: N89 (= N84), K158 (= K162)

Q9LBG2 Levodione reductase; (6R)-2,2,6-trimethyl-1,4-cyclohexanedione reductase; EC 1.1.1.- from Leifsonia aquatica (Corynebacterium aquaticum) (see paper)
33% identity, 96% coverage: 10:264/266 of query aligns to 14:264/267 of Q9LBG2

query
sites
Q9LBG2

K

R

T

V

V

V

L
|
L

V
x
I

T
|
T

G
|
G

A
x
G

S
x
G

S
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S

G
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G

I
x
L

G
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G

K
x
R

A
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A

I
x
T

V
x
A

E
x
V

E
x
R

L
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L

L
x
A

E
x
A

L
x
E

G
|
G

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x
A

N
x
K

V
x
L

A
x
S

N
x
L

F

V

D

D

L

V

S

S

D

S

N

E

D

G

L

L

R

E

H

A

-

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-

K

-

A

-

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-

L

-

E

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-

A

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N

D

-

A

-

E

L

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L

L

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T

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T

K

V

V

A

D

D

V

V

T

S

S

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R

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S

A

E

Q

V

V

E

E

E

A

G

Y

V

V

A

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K

A

I

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V

T

E

E

R

R

F

F

G

G

N

R

I

I

D

D

A

G

V

F

N

N

A

A

G

G

I

I

N
x
E

I

-

P

-

R

-

L

-

I

-

D

G

A

K

E

Q

N

N

P

P

K

T

G

E

P

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Y

F

E

T

L

A

D

A

D

E

E

-

T

-

F

F

E

D

K

K

V

V

T

V

M

S

I

I

N

N

Q

L

K

R

G

G

L

V

Y

F

L

L

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G

S

L

Q

E

A

K

V

V

G

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I

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M

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R

K

E

N

Q

G

G

K

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G

G

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V

N

N

M

T

A

A

S

S

E

V

A

G

G

G

L

I

E

R

G

G

S

I

E

G

G

N

Q

Q

S

S

A

G

Y

Y

A

A

T

A

K

K

A

H

A

G

V

V

Y

V

S

G

Y

L

T

T

R

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N

W

S

A

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K

V

E

E

L

Y

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G

K

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H

Y

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G

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R

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I

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N

G

A

I

I

A

A

P

P

G

G

I

A

-

I

-

W

-

T

-

P

M

M

E

V

A

E

T

N

G

S

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M

R

K

T

Q

L

L

S

D

Y

P

E

E

E

N

A

P

L

R

A

-

Y

-

T

-

R

-

G

-

K

K

T

A

V

A

E

E

D

E

I

F

R

-

A

-

G

-

Y

-

A

-

S

-

T

I

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Q

T

V

T

N

P

P

L

S

G

K

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R

S

Y

G

G

K

E

L

A

R

P

E

E

V

I

A

A

D

A

L

V

V

V

A

A

F

F

Y

L

I

L

S

S

D

D

R

D

S

A

S

S

Y

Y

I

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G

A

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P

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I

A

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G

G

K

Q

T

S

17:42 (vs. 13:38, 35% identical) binding NAD(+)
E103 (≠ N88) mutation E->A,D,N,Q: 26-fold increase in Km and a much lower enantiomeric excess of the reaction products.

1iy8A Crystal structure of levodione reductase (see paper)
33% identity, 96% coverage: 10:264/266 of query aligns to 5:255/258 of 1iy8A

query
sites
1iy8A

K

R

T

V

V

V

L

L

V

I

T

T

G
|
G

A

G

S

G

S
|
S

G
|
G

I
x
L

G

G

K

R

A

A

I

T

V

A

E

V

E

R

L

L

L

A

E

A

L

E

G

G

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A

N

K

V

L

A

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L

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D
|
D

L
x
V

S

S

D

S

N

E

D

G

L

L

R

E

H

A

-

S

-

K

-

A

-

V

-

L

-

E

-

T

-

A

P

P

N

D

-

A

-

E

L

V

L

L

F

T

V

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K

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x
A

D
|
D

V
|
V

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S

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R

E

S

A

E

Q

V

V

E

E

E

A

G

Y

V

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A

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A

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T

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E

R

R

F

F

G

G

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R

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I

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D

A

G

V

F

N

N

N
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N

A

A

G
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G

I
|
I

N

E

I

-

P

-

R

-

L

-

I

-

D

G

A

K

E

Q

N

N

P

P

K

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G

E

P

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Y

F

E

T

L

A

D

A

D

E

E

-

T

-

F

F

E

D

K

K

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I

N

N

Q

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L

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L

Q

E

A

K

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I

L

M

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R

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E

N

Q

G

G

K

S

G

G

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M

I

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V

V

N

N

M
x
T

A

A

S
|
S

E

V

A

G

G

G

L

I

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R

G

G

S

I

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G

G

N

Q
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Q

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S

A

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Y
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Y

A

A

T

A

K
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K

A

H

A

G

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V

Y

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G

Y

L

T

T

R

R

S

N

W

S

A

A

K

V

E

E

L

Y

G

G

K

R

H

Y

G

G

V

I

R

R

V

I

V

N

G

A

I

I

A

A

P
|
P

G
|
G

I

A

-

I

-

W

-
x
T

-
x
P

M
|
M

E

V

A

E

T

N

G

S

L

M

R

K

T

Q

L

L

S

D

Y

P

E

E

E

N

A

P

L

R

A

-

Y

-

T

-

R

-

G

-

K

K

T

A

V

A

E

E

D

E

I

F

R

-

A

-

G

-

Y

-

A

-

S

-

T

I

S

Q

T

V

T

N

P

P

L

S

G

K

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R

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Y

G

G

K

E