SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing AO356_22455 FitnessBrowser__pseudo5_N2C3_1:AO356_22455 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)

4jroC Crystal structure of 3-oxoacyl-[acyl-carrier protein]reductase (fabg) from listeria monocytogenes in complex with NADP+
41% identity, 97% coverage: 1:248/255 of query aligns to 1:246/247 of 4jroC

query
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4jroC

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active site: G16 (= G17), S142 (= S142), Q152 (≠ R153), Y155 (= Y156), K159 (= K160)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G13), S14 (≠ A15), R15 (≠ M16), G16 (= G17), I17 (= I18), N35 (≠ C36), Y36 (≠ D37), N37 (≠ I38), G38 (≠ N39), S39 (≠ T40), N63 (≠ D63), V64 (= V64), N90 (≠ S90), A91 (= A91), I93 (= I93), I113 (= I113), S142 (= S142), Y155 (= Y156), K159 (= K160), P185 (= P186), I188 (≠ V189), T190 (= T191)

5ovlA Crystal structure of maba bound to NADP+ from m. Smegmatis (see paper)
40% identity, 93% coverage: 10:247/255 of query aligns to 13:237/241 of 5ovlA

query
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active site: G20 (= G17), S134 (= S142), Y147 (= Y156), L154 (≠ V163)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G16 (= G13), N18 (≠ A15), R19 (≠ M16), G20 (= G17), I21 (= I18), R41 (= R51), D55 (= D63), V56 (= V64), N82 (≠ S90), A83 (= A91), I85 (= I93), T105 (≠ I113), I132 (= I140), S134 (= S142), Y147 (= Y156), K151 (= K160), P177 (= P186), G178 (= G187), I180 (≠ V189)

P71534 3-oxoacyl-[acyl-carrier-protein] reductase MabA; 3-ketoacyl-acyl carrier protein reductase; Acetoacetyl-CoA reductase; Beta-ketoacyl-ACP reductase; Beta-ketoacyl-acyl carrier protein reductase; EC 1.1.1.100; EC 1.1.1.36 from Mycolicibacterium smegmatis (strain ATCC 700084 / mc(2)155) (Mycobacterium smegmatis) (see paper)
40% identity, 93% coverage: 10:247/255 of query aligns to 27:251/255 of P71534

query
sites
P71534

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NRGI 32:35 (≠ AMGI 15:18) binding
R55 (= R51) binding
DV 69:70 (= DV 63:64) binding
Y161 (= Y156) binding
K165 (= K160) binding
I194 (≠ V189) binding
R205 (≠ E201) binding

5ovkA Crystal structure maba bound to NADPH from m. Smegmatis (see paper)
40% identity, 93% coverage: 10:247/255 of query aligns to 14:238/242 of 5ovkA

query
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active site: G21 (= G17), S135 (= S142), Y148 (= Y156)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G17 (= G13), N19 (≠ A15), R20 (≠ M16), R42 (= R51), D56 (= D63), V57 (= V64), A84 (= A91), G85 (= G92)

6qheA Alcohol dehydrogenase from arthrobacter sp. Ts-15 in complex with NAD+
36% identity, 95% coverage: 6:247/255 of query aligns to 7:254/261 of 6qheA

query
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6qheA

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P
|
P

M
|
M

T

M

K

R

E

A

L

A

H

A

S

A

D

D

-

T

-

N

-

P

-

A

-

D

-

P

-

Q

E

S

F

V

R

I

K

D

A

E

Y

I

S

A

N

A

A

A

I

V

P

P

A

L

K

K

R

R

Y

L

G

G

T

T

T

I

R

D

E

D

I

A

A

G

G

N

A

L

V

A

S

L

Y

F

L

L

A

A

S

S

D

D

V

L

S

A

A

S

Y

Y

V

L

N

T

G

G

I

Q

V

A

L

I

P

V

V

L

D

D

G

G

G

A

F

F

binding nicotinamide-adenine-dinucleotide: G14 (= G13), M17 (= M16), G18 (= G17), M19 (≠ I18), D38 (= D37), R39 (≠ I38), D63 (= D63), I64 (≠ V64), A90 (≠ S90), A91 (= A91), S142 (= S142), Y156 (= Y156), K160 (= K160), P186 (= P186), G187 (= G187), M189 (≠ V189), T191 (= T191), P192 (= P192), M193 (= M193)

5u9pB Crystal structure of a gluconate 5-dehydrogenase from burkholderia cenocepacia j2315 in complex with NADP and tartrate
40% identity, 95% coverage: 7:247/255 of query aligns to 17:257/261 of 5u9pB

query
sites
5u9pB

K

R

V

R

A

A

V

L

I

I

T

T

G
|
G

G

S

A

G

M
x
R

G
|
G

I
|
I

G

G

A

L

E

T

A

L

A

A

S

R

A

G

L

L

A

A

S

E

D

A

G

G

H

A

V

I

I

V

I

I

C

N

D

D

I
x
R

N

N

T

E

E

K

A

A

E

A

R

T

F

L

A

A

Q

R

H

R

L

F

R

R

D

D

Q

E

G

G

F

F

C

A

A

A

D

D

A

H

F

A

Q

V

I

F

D
|
D

V
|
V

G

A

T

E

P

H

A

A

S

Q

V

V

S

R

A

A

F

I

E

D

W

E

I

F

E

E

A

A

K

R

F

V

G

G

R

A

C

I

D

D

V

I

L

L

V

V

N

N

S
x
N

A
|
A

G

G

I

I

A

Q

K

R

T

R

M

A

P

P

F

L

L

D

E

A

F

F

D

E

A

P

D

D

V

D

F

W

N

H

R

A

T

L

M

M

L

R

I

V

N

N

V

L

T

D

G

G

T

V

F

F

L

N

C

V

C

A

Q

Q

L

A

A

V

A

A

R

R

I

H

M

M

R

I

K

A

H

R

E

G

F

H

G

G

R

K

I

I

N

N

I
|
I

A

C

S
|
S

V

V

A

Q

G

S

M

E

R

L

A

A

V

R

G

-

K

P

G

T

R

I

T

A

A

P

Y
|
Y

G

A

T

A

S

T

K
|
K

G

G

A

A

V

V

I

R

A

M

L

L

T

T

R

K

Q

G

M

M

A

C

V

A

E

D

L

W

S

A

E

R

Y

Y

G

G

I

I

T

Q

A

A

N

N

A

G

I

L

A

A

P
|
P

G

G

P

Y

V
x
F

D

E

T
|
T

P

E

M
x
L

T
x
N

K

R

E

A

L

L

H

V

S

D

D

D

-

A

E

A

F

F

R

S

K

D

A

W

Y

L

S

C

N

K

A

R

I

T

P

P

A

A

K

G

R

R

Y

W

G

G

T

Q

T

V

R

D

E

E

I

L

A

C

G

G

A

A

V

A

S

I

Y

F

L

L

A

A

S

S

D

A

V

A

S

S

A

D

Y

F

V

V

N

N

G

G

I

Q

V

T

L

L

P

F

V

V

D

D

G

G

F

L

active site: G27 (= G17), S152 (= S142), Y165 (= Y156), K169 (= K160)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G23 (= G13), R26 (≠ M16), G27 (= G17), I28 (= I18), R48 (≠ I38), D73 (= D63), V74 (= V64), N100 (≠ S90), A101 (= A91), I150 (= I140), Y165 (= Y156), K169 (= K160), P195 (= P186), F198 (≠ V189), T200 (= T191), L202 (≠ M193), N203 (≠ T194)

1uznA Maba from mycobacterium tuberculosis (see paper)
38% identity, 93% coverage: 10:247/255 of query aligns to 11:235/239 of 1uznA

query
sites
1uznA

V

L

I

V

T

T

G
|
G

G

G

A
x
N

M
x
R

G
|
G

I
|
I

G

G

A

L

E

A

A

I

A

A

S

Q

A

R

L

L

A

A

S

A

D

D

G

G

H

H

H

K

V

V

I

A

I

V

C

T

D

H

I

-

N

-

T

-

E

-

A

-

E

-

R

-

F

-

A

-

Q

-

H

-

L

-

R
|
R

D

G

Q

S

G

G

F

A

C

P

A

K

D

G

A

L

F

F

-

G

-

V

Q

E

I

V

D
|
D

V
|
V

G

T

T

D

P

S

A

D

S

A

V

V

S

D

A

R

A

A

F

F

E

T

W

A

I

V

E

E

A

E

K

H

F

Q

G

G

R

P

C

V

D

E

V

V

L

L

V

V

N

S

S

N

A
|
A

G
|
G

I

L

A

S

K

A

T

D

M

A

P

F

F

L

L

M

E

R

F

M

D

T

A

E

D

E

V

K

F

F

N

E

R

K

T

V

M

I

L

N

I

A

N

N

V

L

T

T

G

G

T

A

F

F

L

R

C

V

C

A

Q

Q

L

R

A

A

A

S

R

R

I

S

M

M

R

Q

K

R

H

N

E

K

F

F

G

G

R

R

I

M

I

I

N

F

I

I

A

G

S
|
S

V

V

A

S

G

G

M

L

R

W

A

G

V

I

G

G

K

N

G

-

R

Q

T

A

A

N

Y
|
Y

G

A

T

A

S

S

K
|
K

G

A

A

G

V

V

I

I

A

G

L

M

T

A

R

R

Q

S

M

I

A

A

V

R

E

E

L

L

S

S

E

K

Y

A

G

N

I

V

T

T

A

A

N

N

A

V

I

V

A

A

P

P

G

G

P

Y

V

I

D

D

T

T

P

D

M

M

T

T

K

R

E

A

L

L

H

-

S

D

D

E

E

R

F

I

R

Q

K

Q

A

G

Y

A

S

L

N

Q

A

F

I

I

P

P

A

A

K

K

R

R

Y

V

G

G

T

T

T

P

R

A

E

E

I

V

A

A

G

G

A

V

V

V

S

S

Y

F

L

L

A

A

S

S

D

E

V

D

S

A

A

S

Y

Y

V

I

N

S

G

G

I

A

V

V

L

I

P

P

V

V

D

D

G

G

F

M

active site: G18 (= G17), S132 (= S142), Y145 (= Y156), K149 (= K160)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G14 (= G13), N16 (≠ A15), R17 (≠ M16), I19 (= I18), R39 (= R51), D53 (= D63), V54 (= V64), A81 (= A91), G82 (= G92)

1iy8A Crystal structure of levodione reductase (see paper)
38% identity, 94% coverage: 7:246/255 of query aligns to 5:253/258 of 1iy8A

query
sites
1iy8A

K

R

V

V

A

V

V

L

I

I

T

T

G
|
G

G

G

A

G

M
x
S

G
|
G

I
x
L

G

G

A

R

E

A

A

T

A

A

S

V

A

R

L

L

A

A

S

A

D

E

G

G

H

A

H

K

V

L

I

S

I

L

C

V

D
|
D

I
x
V

N

S

T

S

T

E

E

G

A

L

E

E

R

A

F

S

A

K

Q

A

H

A

L

V

R

L

D

E

Q

T

G

A

F

P

C

D

A

A

D

E

A

V

F

L

Q

T

I

T

-

V

-
x
A

D
|
D

V
|
V

G

S

T

D

P

E

A

A

S

Q

V

V

S

E

A

A

A

Y

F

V

E

T

W

A

I

T

E

T

A

E

K

R

F

F

G

G

R

R

C

I

D

D

V

G

L

F

V

F

N

N

S
x
N

A

A

G
|
G

I
|
I

-

E

A

G

K

K

T

Q

M

N

P

P

F

T

L

E

E

S

F

F

D

T

A

A

D

A

V

E

F

F

N

D

R

K

T

V

M

V

L

S

I

I

N

N

V

L

T

R

G

G

T

V

F

F

L

L

C

G

C

L

Q

E

L

K

A

V

A

L

R

K

I

I

M

M

R

R

K

E

H

Q

E

G

F

S

G

G

R

M

I

V

N

N

I
x
T

A

A

S
|
S

V

V

A

G

G

G

M

I

R

R

A

G

V

I

G

G

K

N

G

-

R
x
Q

T

S

A

G

Y
|
Y

G

A

T

A

S

A

K
|
K

G

H

A

G

V

V

I

V

A

G

L

L

T

T

R

R

Q

N

M

S

A

A

V

V

E

E

L

Y

S

G

E

R

Y

Y

G

G

I

I

T

R

A

I

N

N

A

A

I

I

A

A

P
|
P

G
|
G

P

A

V

I

D

W

T
|
T

P
|
P

M
|
M

T

V

-

E

-

N

-

S

-

M

K

K

E

Q

L

L

H

D

S

P

D

E

E

N

F

P

R

R

K

K

A

A

Y

A

S

E

N

E

A

F

I

I

-

Q

-

V

-

N

P

P

A

S

K

K

R

R

Y

Y

G

G

T

E

T

A

R

P

E

E

I

I

A

A

G

A

A

V

V

V

S

A

Y

F

L

L

A

L

S

S

D

D

V

D

S

A

A

S

Y

Y

V

V

N

N

G

A

I

T

V

V

L

V

P

P

V

I

D

D

G

G

active site: G15 (= G17), S143 (= S142), Q153 (≠ R153), Y156 (= Y156), K160 (= K160)
binding nicotinamide-adenine-dinucleotide: G11 (= G13), S14 (≠ M16), G15 (= G17), L16 (≠ I18), D35 (= D37), V36 (≠ I38), A62 (vs. gap), D63 (= D63), V64 (= V64), N90 (≠ S90), G92 (= G92), I93 (= I93), T141 (≠ I140), S143 (= S142), Y156 (= Y156), K160 (= K160), P186 (= P186), G187 (= G187), T191 (= T191), P192 (= P192), M193 (= M193)

Q9LBG2 Levodione reductase; (6R)-2,2,6-trimethyl-1,4-cyclohexanedione reductase; EC 1.1.1.- from Leifsonia aquatica (Corynebacterium aquaticum) (see paper)
38% identity, 94% coverage: 7:246/255 of query aligns to 14:262/267 of Q9LBG2

query
sites
Q9LBG2

K

R

V

V

A

V

V
x
L

I
|
I

T
|
T

G
|
G

A
x
G

M
x
S

G
|
G

I
x
L

G
|
G

A
x
R

E
x
A

A
x
T

A
|
A

S
x
V

A
x
R

L
|
L

A
|
A

S
x
A

D
x
E

G
|
G

H
x
A

H
x
K

V
x
L

I
x
S

I
x
L

C

V

D

D

I

V

N

S

T

S

T

E

E

G

A

L

E

E

R

A

F

S

A

K

Q

A

H

A

L

V

R

L

D

E

Q

T

G

A

F

P

C

D

A

A

D

E

A

V

F

L

Q

T

I

T

-

V

-

A

D

D

V

V

G

S

T

D

P

E

A

A

S

Q

V

V

S

E

A

A

A

Y

F

V

E

T

W

A

I

T

E

T

A

E

K

R

F

F

G

G

R

R

C

I

D

D

V

G

L

F

V

F

N

N

S

N

A

A

G

G

I

I

-
x
E

A

G

K

K

T

Q

M

N

P

P

F

T

L

E

E

S

F

F

D

T

A

A

D

A

V

E

F

F

N

D

R

K

T

V

M

V

L

S

I

I

N

N

V

L

T

R

G

G

T

V

F

F

L

L

C

G

C

L

Q

E

L

K

A

V

A

L

R

K

I

I

M

M

R

R

K

E

H

Q

E

G

F

S

G

G

R

M

I

V

N

N

I

T

A

A

S

S

V

V

A

G

G

G

M

I

R

R

A

G

V

I

G

G

K

N

G

-

R

Q

T

S

A

G

Y

Y

G

A

T

A

S

A

K

K

G

H

A

G

V

V

I

V

A

G

L

L

T

T

R

R

Q

N

M

S

A

A

V

V

E

E

L

Y

S

G

E

R

Y

Y

G

G

I

I

T

R

A

I

N

N

A

A

I

I

A

A

P

P

G

G

P

A

V

I

D

W

T

T

P

P

M

M

T

V

-

E

-

N

-

S

-

M

K

K

E

Q

L

L

H

D

S

P

D

E

E

N

F

P

R

R

K

K

A

A

Y

A

S

E

N

E

A

F

I

I

-

Q

-

V

-

N

P

P

A

S

K

K

R

R

Y

Y

G

G

T

E

T

A

R

P

E

E

I

I

A

A

G

A

A

V

V

V

S

A

Y

F

L

L

A

L

S

S

D

D

V

D

S

A

A

S

Y

Y

V

V

N

N

G

A

I

T

V

V

L

V

P

P

V

I

D

D

G

G

17:42 (vs. 10:35, 38% identical) binding
E103 (vs. gap) mutation E->A,D,N,Q: 26-fold increase in Km and a much lower enantiomeric excess of the reaction products.

1vl8B Crystal structure of gluconate 5-dehydrogenase (tm0441) from thermotoga maritima at 2.07 a resolution
37% identity, 95% coverage: 7:249/255 of query aligns to 7:251/252 of 1vl8B

query
sites
1vl8B

K

R

V

V

A

A

V

L

I

V

T

T

G
|
G

G

G

A

S

M
x
R

G
|
G

I
x
L

G

G

A

F

E

G

A

I

A

A

S

Q

A

G

L

L

A

A

S

E

D

A

G

G

H

C

H

S

V

V

I

V

C

A

D
x
S

I
x
R

N

N

T

L

T

E

E

E

A

A

E

S

R

E

F

A

A

A

Q

Q

H

K

L

L

R

T

D

E

Q

K

-

Y

G

G

F

V

C

E

A

T

D

M

A

A

F

F

Q

R

I
x
C

D
|
D

V
|
V

G

S

T

N

P

Y

A

E

S

E

V

V

S

K

A

K

A

L

F

L

E

E

W

A

I

V

E

K

A

E

K

K

F

F

G

G

R

K

C

L

D

D

V

T

L

V

V

V

N

N

S
x
A

A
|
A

G
|
G

I
|
I

A

N

K

R

T

R

M

H

P

P

F

A

L

E

E

E

F

F

D

P

A

L

D

D

V

E

F

F

N

R

R

Q

T

V

M

I

L

E

I
x
V

N

N

V

L

T

F

G

G

T

T

F

Y

L

Y

C

V

C

C

Q

R

L

E

A

A

A

F

R

S

I

L

M

L

R

R

K

E

H

S

E

D

F

N

G

P

R

S

I

I

N

N

I
|
I

A

G

S
|
S

V

L

A

T

G

V

M

E

R

E

A

V

V

T

G

M

K

P

G

N

R
x
I

T

S

A

A

Y
|
Y

G

A

T

A

S

S

K
|
K

G

G

A

G

V

V

I

A

A

S

L

L

T

T

R

K

Q

A

M

L

A

A

V

K

E

E

L

W

S

G

E

R

Y

Y

G

G

I

I

T

R

A

V

N

N

A

V

I

I

A

A

P
|
P

G
|
G

P

W

V
x
Y

D

R

T
|
T

P

K

M
|
M

T
|
T

K

E

E

A

L

V

H

F

S

S

D

D

E

P

F

E

R

K

K

L

A

D

Y

Y

S

M

-

L

N

K

A

R

I

I

P

P

A

L

K

G

R

R

Y

T

G

G

T

V

T

P

R

E

E

D

I

L

A

K

G

G

A

V

V

A

S

V

Y

F

L

L

A

A

S

S

D

E

V

E

S

A

A

K

Y

Y

V

V

N

T

G

G

I

Q

V

I

L

I

P

F

V

V

D

D

G

G

F

W

L

T

A

A

active site: G17 (= G17), S143 (= S142), I154 (≠ R153), Y157 (= Y156), K161 (= K160)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G13), R16 (≠ M16), G17 (= G17), L18 (≠ I18), S37 (≠ D37), R38 (≠ I38), C63 (≠ I62), D64 (= D63), V65 (= V64), A91 (≠ S90), A92 (= A91), G93 (= G92), I94 (= I93), V114 (≠ I113), I141 (= I140), S143 (= S142), Y157 (= Y156), K161 (= K160), P187 (= P186), G188 (= G187), Y190 (≠ V189), T192 (= T191), M194 (= M193), T195 (= T194)

6zzsD Crystal structure of (r)-3-hydroxybutyrate dehydrogenase from acinetobacter baumannii complexed with NAD+ and 3-oxovalerate (see paper)
36% identity, 97% coverage: 3:250/255 of query aligns to 4:261/261 of 6zzsD

query
sites
6zzsD

L

L

A

L

N

D

K

G

K

K

V

V

A

A

V

F

I

I

T

T

G
|
G

G

S

A

A

M
x
S

G
|
G

I
|
I

G

G

A

L

E

E

A

I

A

A

S

K

A

K

L

F

A

A

S

Q

D

E

G

G

H

A

H

K

V

V

I

V

I

I

C

S

D
|
D

I
x
M

N

N

T

A

T

E

E

K

A

C

E

Q

R

E

F

T

A

A

Q

N

H

S

L

L

R

K

D

E

Q

Q

G

G

F

F

C

D

A

A

D

L

A

S

F

A

Q

P

I

C

D
|
D

V
|
V

G

T

T

D

P

E

A

D

S

A

V

Y

S

K

A

Q

A

A

F

I

E

E

W

L

I

T

E

Q

A

K

K

T

F

F

G

G

R

T

C

V

D

D

V

I

L

L

V

I

N

N

S
x
N

A
|
A

G
|
G

I

F

A
x
Q

K

H

T

V

M

A

P

P

F

I

L

E

E

E

F

F

D

P

A

T

D

A

V

V

F

F

N

Q

R

K

T

L

M

V

L

Q

I

V

N

M

V

L

T

T

G

G

T

A

F

F

L

I

C

G

C

I

Q

K

L

H

A

V

A

L

R

P

I

I

M

M

R

K

K

A

H

Q

E

K

F

Y

G

G

R

R

I

I

N

N

I
x
M

A
|
A

S
|
S

V

I

A
x
N

G

G

M

L

R

I

A

G

V

F

G

A

K

-

G

G

R
x
K

T

A

A

G

Y
|
Y

G

N

T

S

S

A

K
|
K

G

H

A

G

V

V

I

I

A

G

L

L

T

T

R

K

Q

V

M

A

A

A

V

L

E

E

L

C

S

A

E

R

Y

D

G

G

I

I

T

T

A

V

N

N

A

A

I

L

A

C

P
|
P

G
|
G

P

Y

V
|
V

D

D

T
|
T

P

P

M
x
L

T

V

K

R

E

G

L
x
Q

H

I

S

A

D

D

-

L

-

A

-

K

-

T

-

R

-

N

-

V

E

S

F

L

R

D

K

S

A

A

Y

L

S

E

N

D

A

V

I

I

-

L

-

A

-

M

-

V

P

P

A

Q

K

K

R

R

Y

L

G

L

T

S

T

V

R

E

E

E

I

I

A

A

G

D

A

Y

V

A

S

I

Y

F

L

L

A

A

S

S

D

S

V

K

S

A

A

G

Y

G

V

V

N

T

G

G

I

Q

V

A

L

V

P

V

V

M

D

D

G

G

F

Y

L

T

A

A

W

Q

active site: G18 (= G17), S143 (= S142), Y156 (= Y156)
binding nicotinamide-adenine-dinucleotide: G14 (= G13), S17 (≠ M16), I19 (= I18), D38 (= D37), M39 (≠ I38), D64 (= D63), V65 (= V64), N91 (≠ S90), A92 (= A91), G93 (= G92), M141 (≠ I140), A142 (= A141), S143 (= S142), Y156 (= Y156), K160 (= K160), P186 (= P186), G187 (= G187), V189 (= V189), T191 (= T191), L193 (≠ M193)
binding 3-oxidanylidenepentanoic acid: Q95 (≠ A94), S143 (= S142), N145 (≠ A144), K153 (≠ R153), Y156 (= Y156), Q197 (≠ L197)

6zzqA Crystal structure of (r)-3-hydroxybutyrate dehydrogenase from acinetobacter baumannii complexed with NAD+ and acetoacetate (see paper)
36% identity, 97% coverage: 3:250/255 of query aligns to 3:260/260 of 6zzqA

query
sites
6zzqA

L

L

A

L

N

D

K

G

K

K

V

V

A

A

V

F

I

I

T

T

G
|
G

G

S

A

A

M
x
S

G
|
G

I
|
I

G

G

A

L

E

E

A

I

A

A

S

K

A

K

L

F

A

A

S

Q

D

E

G

G

H

A

H

K

V

V

I

V

I

I

C

S

D
|
D

I
x
M

N

N

T

A

T

E

E

K

A

C

E

Q

R

E

F

T

A

A

Q

N

H

S

L

L

R

K

D

E

Q

Q

G

G

F

F

C

D

A

A

D

L

A

S

F

A

Q

P

I

C

D
|
D

V
|
V

G

T

T

D

P

E

A

D

S

A

V

Y

S

K

A

Q

A

A

F

I

E

E

W

L

I

T

E

Q

A

K

K

T

F

F

G

G

R

T

C

V

D

D

V

I

L

L

V

I

N

N

S
x
N

A
|
A

G
|
G

I

F

A
x
Q

K

H

T

V

M

A

P

P

F

I

L

E

E

E

F

F

D

P

A

T

D

A

V

V

F

F

N

Q

R

K

T

L

M

V

L

Q

I

V

N

M

V

L

T

T

G

G

T

A

F

F

L

I

C

G

C

I

Q

K

L

H

A

V

A

L

R

P

I

I

M

M

R

K

K

A

H

Q

E

K

F

Y

G

G

R

R

I

I

N

N

I
x
M

A
|
A

S
|
S

V

I

A

N

G

G

M

L

R

I

A

G

V

F

G

A

K

-

G

G

R
x
K

T

A

A

G

Y
|
Y

G

N

T

S

S

A

K
|
K

G

H

A

G

V

V

I

I

A

G

L

L

T

T

R

K

Q

V

M

A

A

A

V

L

E

E

L

C

S

A

E

R

Y

D

G

G

I

I

T

T

A

V

N

N

A

A

I

L

A

C

P

P

G

G

P
x
Y

V
|
V

D

D

T
|
T

P

P

M

L

T

V

K

R

E

G

L
x
Q

H

I

S

A

D

D

-

L

-

A

-

K

-

T

-

R

-

N

-

V

E

S

F

L

R

D

K

S

A

A

Y

L

S

E

N

D

A

V

I

I

-

L

-

A

-

M

-

V

P

P

A

Q

K

K

R

R

Y

L

G

L

T

S

T

V

R

E

E

E

I

I

A

A

G

D

A

Y

V

A

S

I

Y

F

L

L

A

A

S

S

D

S

V

K

S

A

A

G

Y

G

V

V

N

T

G

G

I

Q

V

A

L

V

P

V

V

M

D

D

G

G

F

Y

L

T

A

A

W

Q

active site: G17 (= G17), S142 (= S142), Y155 (= Y156)
binding acetoacetic acid: Q94 (≠ A94), S142 (= S142), K152 (≠ R153), Y155 (= Y156), Q196 (≠ L197)
binding nicotinamide-adenine-dinucleotide: G13 (= G13), S16 (≠ M16), G17 (= G17), I18 (= I18), D37 (= D37), M38 (≠ I38), D63 (= D63), V64 (= V64), N90 (≠ S90), A91 (= A91), G92 (= G92), M140 (≠ I140), A141 (= A141), S142 (= S142), Y155 (= Y156), K159 (= K160), Y187 (≠ P188), V188 (= V189), T190 (= T191)

1q7bA The structure of betaketoacyl-[acp] reductase from e. Coli in complex with NADP+ (see paper)
37% identity, 95% coverage: 7:247/255 of query aligns to 5:240/243 of 1q7bA

query
sites
1q7bA

K

K

V

I

A

A

V

L

I

V

T

T

G
|
G

G

A

A
x
S

M
x
R

G
|
G

I

I

G

G

A

R

E

A

A

I

A

A

S

E

A

T

L

L

A

A

S

A

D

R

G

G

H

A

H

K

V

V

I

I

I

-

C

-

D

-

I

-

N

G

T

T

T

A

E
x
T

A

S

E

E

R

N

F

G

A

A

Q

Q

H

A

L

I

R

S

D

D

Q

Y

-

L

G

G

F

A

C

N

A

G

D

K

A

G

F

L

Q

M

I

L

D
x
N

V
|
V

G

T

T

D

P

P

A

A

S

S

V

I

S

E

A

S

A

V

F

L

E

E

W

K

I

I

E

R

A

A

K

E

F

F

G

G

R

E

C

V

D

D

V

I

L

L

V

V

N

N

S
x
N

A
|
A

G
|
G

I
|
I

A

T

K

R

T

D

M

N

P

L

F

L

L

M

E

R

F

M

D

K

A

D

D

E

V
x
E

F

W

N

N

R

D

T

I

M

I

L

E

I

T

N

N

V

L

T

S

G

S

T

V

F

F

L

R

C

L

C

S

Q

K

L

A

A

V

A

M

R

R

I

A

M

M

R

M

K

K

H

K

E

R

F

H

G

G

R

R

I

I

N

T

I

I

A

G

S
|
S

V

V

A

V

G

G

M

T

R

M

A

G

V

N

G

G

K

-

G

G

R
x
Q

T

A

A

N

Y
|
Y

G

A

T

A

S

A

K
|
K

G

A

A

G

V

L

I

I

A

G

L

F

T

S

R

K

Q

S

M

L

A

A

V

R

E

E

L

V

S

A

E

S

Y

R

G

G

I

I

T

T

A

V

N

N

A

V

I

V

A

A

P
|
P

G
|
G

P

F

V
x
I

D

E

T

T

P

D

M

M

T

T

K

R

E

A

L

L

H

-

S

S

D

D

E

D

F

Q

R

R

K

A

A

G

Y

I

S

L

N

A

A

Q

I

V

P

P

A

A

K

G

R

R

Y

L

G

G

T

G

T

A

R

Q

E

E

I

I

A

A

G

N

A

A

V

V

S

A

Y

F

L

L

A

A

S

S

D

D

V

E

S

A

A

A

Y

Y

V

I

N

T

G

G

I
x
E

V
x
T

L

L

P

H

V

V

D

N

G

G

F

M

active site: G15 (= G17), E101 (≠ V106), S137 (= S142), Q147 (≠ R153), Y150 (= Y156), K154 (= K160)
binding calcium ion: E232 (≠ I239), T233 (≠ V240)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G11 (= G13), S13 (≠ A15), R14 (≠ M16), T36 (≠ E42), N58 (≠ D63), V59 (= V64), N85 (≠ S90), A86 (= A91), G87 (= G92), I88 (= I93), S137 (= S142), Y150 (= Y156), K154 (= K160), P180 (= P186), G181 (= G187), I183 (≠ V189)

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)
38% identity, 95% coverage: 7:247/255 of query aligns to 9:244/247 of 3op4A

query
sites
3op4A

K

K

V

V

A

A

V

L

I

V

T

T

G
|
G

G

A

A
x
S

M
x
R

G

G

I
|
I

G

G

A

K

E

A

A

I

A

A

S

E

A

L

L

L

A

A

S

E

D

R

G

G

H

A

H

K

V

V

I

I

I

G

C

T

D

A

I
x
T

N

S

T

E

T

S

E

G

A

A

E

Q

R

A

F

I

A

S

Q

D

H

Y

L

L

R

G

D

D

Q

N

G

G

F

-

C

-

A

-

D

K

A

G

F

M

Q

A

I

L

D
x
N

V
|
V

G

T

T

N

P

P

A

E

S

S

V

I

S

E

A

A

A

V

F

L

E

K

W

A

I

I

E

T

A

D

K

E

F

F

G

G

R

G

C

V

D

D

V

I

L

L

V

V

N

N

S
x
N

A
|
A

G

G

I
|
I

A

T

K

R

T

D

M

N

P

L

F

L

L

M

E

R

F

M

D

K

A

E

D

E

V

E

F

W

N

S

R

D

T

I

M

M

L

E

I

T

N

N

V

L

T

T

G

S

T

I

F

F

L

R

C

L

C

S

Q

K

L

A

A

V

A

L

R

R

I

G

M

M

R

M

K

K

H

K

E

R

F

Q

G

G

R

R

I

I

N

N

I
x
V

A

G

S
|
S

V

V

A

V

G

G

M

T

R

M

A

G

V

-

G

N

K

A

G

G

R

Q

T

A

A

N

Y
|
Y

G

A

T

A

S

A

K
|
K

G

A

A

G

V

V

I

I

A

G

L

F

T

T

R

K

Q

S

M

M

A

A

V

R

E

E

L

V

S

A

E

S

Y

R

G

G

I

V

T

T

A

V

N

N

A

T

I

V

A

A

P
|
P

G
|
G

P

F

V
x
I

D

E

T
|
T

P

D

M
|
M

T

T

K

K

E

A

L

L

H

N

S

-

D

D

E

E

F

Q

R

R

K

T

A

A

Y

T

S

L

N

A

A

Q

I

V

P

P

A

A

K

G

R

R

Y

L

G

G

T

D

T

P

R

R

E

E

I

I

A

A

G

S

A

A

V

V

S

A

Y

F

L

L

A

A

S

S

D

P

V

E

S

A

A

A

Y

Y

V

I

N

T

G

G

I

E

V

T

L

L

P

H

V

V

D

N

G

G

F

M

binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G13), S17 (≠ A15), R18 (≠ M16), I20 (= I18), T40 (≠ I38), N62 (≠ D63), V63 (= V64), N89 (≠ S90), A90 (= A91), I92 (= I93), V139 (≠ I140), S141 (= S142), Y154 (= Y156), K158 (= K160), P184 (= P186), G185 (= G187), I187 (≠ V189), T189 (= T191), M191 (= M193)

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)
37% identity, 95% coverage: 7:247/255 of query aligns to 6:241/244 of P0AEK2

query
sites
P0AEK2

K

K

V

I

A

A

V

L

I

V

T

T

G
|
G

G
x
A

A
x
S

M
x
R

G

G

I

I

G

G

A

R

E

A

A

I

A

A

S

E

A

T

L

L

A

A

S

A

D

R

G

G

H

A

H

K

V

V

I

I

I

-

C

-

D

-

I

-

N

G

T

T

T

A

E
x
T

A

S

E

E

R

N

F

G

A

A

Q

Q

H

A

L

I

R

S

D

D

Q

Y

-

L

G

G

F

A

C

N

A

G

D

K

A

G

F

L

Q

M

I

L

D
x
N

V
|
V

G

T

T

D

P

P

A

A

S

S

V

I

S

E

A

S

A

V

F

L

E

E

W

K

I

I

E

R

A

A

K

E

F

F

G

G

R

E

C

V

D

D

V

I

L

L

V

V

N

N

S
x
N

A

A

G

G

I

I

A

T

K

R

T

D

M

N

P

L

F

L

L

M

E

R

F

M

D

K

A

D

D

E

V

E

F

W

N

N

R

D

T

I

M

I

L

E

I

T

N

N

V

L

T

S

G

S

T

V

F

F

L

R

C

L

C

S

Q

K

L

A

A

V

A

M

R

R

I

A

M

M

R

M

K

K

H

K

E

R

F

H

G

G

R

R

I

I

N

T

I

I

A

G

S

S

V

V

A

V

G

G

M

T

R

M

A

G

V

N

G

G

K

-

G

G

R

Q

T

A

A

N

Y
|
Y

G
x
A

T
x
A

S
x
A

K
|
K

G

A

A

G

V

L

I

I

A

G

L

F

T

S

R

K

Q

S

M

L

A

A

V

R

E

E

L

V

S

A

E

S

Y

R

G

G

I

I

T

T

A

V

N

N

A

V

I

V

A

A

P

P

G

G

P

F

V
x
I

D

E

T

T

P

D

M

M

T

T

K

R

E

A

L

L

H

-

S

S

D

D

E

D

F

Q

R

R

K

A

A

G

Y

I

S

L

N

A

A

Q

I

V

P

P

A

A

K

G

R

R

Y

L

G

G

T

G

T

A

R

Q

E

E

I

I

A

A

G

N

A

A

V

V

S

A

Y

F

L

L

A

A

S

S

D

D

V

E

S

A

A

A

Y

Y

V

I

N

T

G

G

I
x
E

V

T

L

L

P

H

V

V

D

N

G

G

F

M

GASR 12:15 (≠ GGAM 13:16) binding
T37 (≠ E42) binding
NV 59:60 (≠ DV 63:64) binding
N86 (≠ S90) binding
Y151 (= Y156) mutation to F: Defect in the affinity for NADPH.
YAAAK 151:155 (≠ YGTSK 156:160) binding
A154 (≠ S159) mutation to T: Decreases in the thermolability of the reductase; when associated with K-233.
K155 (= K160) mutation to A: Defect in the affinity for NADPH.
I184 (≠ V189) binding
E233 (≠ I239) mutation to K: Decreases in the thermolability of the reductase; when associated with T-154.

6t77A Crystal structure of klebsiella pneumoniae fabg(NADPH-dependent) NADP- complex at 1.75 a resolution (see paper)
37% identity, 95% coverage: 7:247/255 of query aligns to 6:241/244 of 6t77A

query
sites
6t77A

K

K

V

I

A

A

V

L

I

V

T

T

G
|
G

G

A

A
x
S

M
x
R

G
|
G

I

I

G

G

A

R

E

A

A

I

A

A

S

E

A

T

L

L

A

V

S

A

D

R

G

G

H

A

H

K

V

V

I

I

I

-

C

-

D

-

I

-

N

G

T

T

T

A

E
x
T

A

S

E

E

R

S

F

G

A

A

Q

Q

H

A

L

I

R

S

D

D

Q

Y

-

L

G

G

F

A

C

N

A

G

D

K

A

G

F

L

Q

M

I
x
L

D
x
N

V
|
V

G

T

T

D

P

P

A

A

S

S

V

I

S

E

A

S

A

V

F

L

E

E

W

N

I

V

E

R

A

A

K

E

F

F

G

G

R

E

C

V

D

D

V

I

L

L

V

V

N

N

S

N

A
|
A

G
|
G

I
|
I

A

T

K

R

T

D

M

N

P

L

F

L

L

M

E

R

F

M

D

K

A

D

D

D

V

E

F

W

N

N

R

D

T

I

M

I

L

E

I

T

N

N

V

L

T

S

G

S

T

V

F

F

L

R

C

L

C

S

Q

K

L

A

A

V

A

M

R

R

I

A

M

M

R

M

K

K

H

K

E

R

F

H

G

G

R

R

I

I

N

T

I

I

A

G

S
|
S

V

V

A

V

G

G

M

T

R

M

A

G

V

-

G

N

K

A

G

G

R

Q

T

A

A

N

Y
|
Y

G

A

T

A

S

A

K

K

G

A

A

G

V

L

I

I

A

G

L

F

T

S

R

K

Q

S

M

L

A

A

V

R

E

E

L

V

S

A

E

S

Y

R

G

G

I

I

T

T

A

V

N

N

A

V

I

V

A

A

P

P

G

G

P

F

V

I

D

E

T

T

P

D

M

M

T

T

K

R

E

A

L

L

H

-

S

T

D

D

E

E

F

Q

R

R

K

A

A

G

Y

T

S

L

N

A

A

A

I

V

P

P

A

A

K

G

R

R

Y

L

G

G

T

T

T

P

R

N

E

E

I

I

A

A

G

S

A

A

V

V

S

A

Y

F

L

L

A

A

S

S

D

D

V

E

S

A

A

S

Y

Y

V

I

N

T

G

G

I

E

V

T

L

L

P

H

V

V

D

N

G

G

F

M

active site: G16 (= G17), S138 (= S142), Y151 (= Y156)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G13), S14 (≠ A15), R15 (≠ M16), T37 (≠ E42), L58 (≠ I62), N59 (≠ D63), V60 (= V64), A87 (= A91), G88 (= G92), I89 (= I93)

8cxaA Crystal structure of 3-oxoacyl-[acyl-carrier-protein] reductase from mycobacterium smegmatis with bound NAD
38% identity, 96% coverage: 3:247/255 of query aligns to 3:248/251 of 8cxaA

query
sites
8cxaA

L

L

A

A

N

N

K

R

K

-

V

V

A

A

V

I

I

I

T

T

G
|
G

G

A

A

A

M
x
Q

G
|
G

I
|
I

G

G

A

R

E

I

A

Y

A

A

S

E

A

R

L

F

A

A

S

E

D

E

G

G

H

A

V

V

I

V

C

A

D
|
D

I

I

N

N

T

E

T

P

E

K

A

A

E

T

R

E

F

V

A

A

Q

S

H

S

L

I

R

T

D

S

Q

L

G

G

F

G

C

R

A

A

D

I

A

A

F

A

Q

A

I

V

D

D

V
|
V

G

S

T

D

P

V

A

E

S

S

V

V

S

N

A

R

A

M

F

V

E

D

W

S

I

A

E

V

A

E

K

A

F

F

G

G

R

T

C

V

D

D

V

I

L

L

V

V

N

N

S
x
N

A

A

G
x
A

I

I

A

F

K
x
S

T

T

M

L

-

K

-

M

-

K

P

P

F

F

L

E

E

E

F

I

D

S

A

G

D

D

V

E

F

W

N

D

R

K

T

L

M

F

L

A

I

V

N

N

V

A

T

K

G

G

T

T

F

F

L

L

C

C

Q

Q

L

A

A

V

A

S

R

P

I

V

M

M

R

R

K

K

H

N

E

Q

F

Y

G

G

R

R

I

I

N

N

I
|
I

A
x
S

S
|
S

V

-

A

-

G

-

M

-

R

S

A

V

V

V

G

V

K

T

G

G

R

R

T

P

A

N

Y

Y

G

A

-

H

-
x
Y

-

I

T

A

S

S

K
|
K

G

G

A

A

V

V

I

W

A

A

L

L

T

T

R

H

Q

A

M

L

A

A

V

T

E

E

L

M

S

G

E

T

Y

D

G

G

I

I

T

T

A

V

N

N

A

T

I

V

A

S

P
|
P

G
x
H

P

G

V
x
I

D

I

T

T

P

E

M
x
I

T

P

K

R

E

E

L

T

H

I

S

S

D

E

E

E

F

G

R

W

K

R

A

R

Y

N

S

L

N

E

A

E

I

Q

P

A

A

L

K

K

R

R

Y

K

G

G

T

D

T

A

R

S

E

D

I

L

A

V

G

G

A

I

V

L

S

L

Y

Y

L

L

A

A

S

S

D

D

V

E

S

S

A

K

Y

F

V

M

N

T

G

G

I

Q

V

T

L

V

P

A

V

L

D

D

G

A

G

G

F

L

binding nicotinamide-adenine-dinucleotide: G12 (= G13), Q15 (≠ M16), G16 (= G17), I17 (= I18), D36 (= D37), V63 (= V64), N89 (≠ S90), A91 (≠ G92), S94 (≠ K95), I142 (= I140), S143 (≠ A141), S144 (= S142), Y157 (vs. gap), K161 (= K160), P187 (= P186), H188 (≠ G187), I190 (≠ V189), I194 (≠ M193)

P9WGT3 3-oxoacyl-[acyl-carrier-protein] reductase MabA; 3-ketoacyl reductase; 3-ketoacyl-acyl carrier protein reductase; Acetoacetyl-CoA reductase; Beta-ketoacyl-acyl carrier protein reductase; Beta-ketoacyl-ACP reductase; Mycolic acid biosynthesis A; EC 1.1.1.100; EC 1.1.1.36 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see 7 papers)
38% identity, 93% coverage: 10:247/255 of query aligns to 19:243/247 of P9WGT3

query
sites
P9WGT3

V

L

I

V

T
|
T

G

G

A

N

M
x
R

G
|
G

I
|
I

G

G

A

L

E

A

A

I

A

A

S

Q

A

R

L

L

A

A

S

A

D

D

G

G

H

H

H

K

V

V

I

A

I

V

C

T

D

H

I

-

N

-

T

-

E

-

A

-

E

-

R

-

F

-

A

-

Q

-

H

-

L

-

R
|
R

D

G

Q

S

G

G

F

A

C

P

A

K

D

G

A

L

F

F

Q

G

I

V

-

E

-
x
C

D
|
D

V
|
V

G

T

T

D

P

S

A

D

S

A

V

V

S

D

A

R

A

A

F

F

E

T

W

A

I

V

E

E

A

E

K

H

F

Q

G

G

R

P

C

V

D

E

V

V

L

L

V

V

N

S

S

N

A

A

G
|
G

I

L

A

S

K

A

T

D

M

A

P

F

F

L

L

M

E

R

F

M

D

T

A

E

D

E

V

K

F

F

N

E

R

K

T

V

M

I

L

N

I

A

N

N

V

L

T
|
T

G

G

T

A

F

F

L

R

C

V

C

A

Q

Q

L

R

A

A

A

S

R

R

I

S

M

M

R

Q

K

R

H

N

E

K

F

F

G

G

R

R

I

M

I

I

N

F

I

I

A
x
G

S
|
S

V

V

A

S

G

G

M
x
S

R

W

A

G

V

I

G

G

K

N

G

-

R

Q

T

A

A

N

Y

Y

G

A

T

A

S

S

K

K

G

A

A

G

V

V

I

I

A

G

L

M

T

A

R

R

Q

S

M

I

A

A

V

R

E

E

L

L

S

S

E

K

Y

A

G

N

I

V

T

T

A

A

N

N

A

V

I

V

A

A

P

P

G

G

P
x
Y

V

I

D

D

T

T

P

D

M

M

T
|
T

K

R

E

A

L

L

H

-

S

D

D

E

E

R

F

I

R

Q

K

Q

A

G

Y

A

S

L

N

Q

A

F

I

I

P

P

A

A

K

K

R

R

Y

V

G

G

T

T

T

P

R

A

E

E

I

V

A

A

G

G

A

V

V

V

S

S

Y

F

L

L

A

A

S

S

D

E

V

D

S

A

A

S

Y

Y

V

I

N

S

G

G

I

A

V

V

L

I

P

P

V

V

D

D

G

G

F

M

T21 (= T12) modified: Phosphothreonine; mutation to A: Slight decrease in phosphorylation by PknB. Lack of phosphorylation by PknB; when associated with A-114 and A-191.
RGI 25:27 (≠ MGI 16:18) binding
R47 (= R51) binding
C60 (vs. gap) mutation to V: Displays a lower activity than the wild-type and a slightly decreased affinity for the cofactor. Retains 84% of activity; when associated with L-144. Totally inactive; when associated with A-139 and L-144.
DV 61:62 (= DV 63:64) binding
G90 (= G92) binding
T114 (= T116) modified: Phosphothreonine; mutation to A: Slight decrease in phosphorylation by PknB. Lack of phosphorylation by PknB; when associated with A-21 and A-191.
G139 (≠ A141) mutation to A: Complete protein inactivation and freezes the catalytic site into its closed form. Totally inactive; when associated with V-60 and L-144.
S140 (= S142) mutation to A: Loss of activity. Can still bind NADPH.; mutation to T: Loss of activity. Impaired NADPH binding.
S144 (≠ M146) mutation to L: Stabilizes the catalytic loop in its open active form. Retains 84% of activity; when associated with V-60. Totally inactive; when associated with V-60 and A-139.
Y185 (≠ P188) mutation to L: 70% decrease in activity with acetoacetyl-CoA as substrate. Does not affect NADP binding.
T191 (= T194) modified: Phosphothreonine; mutation to A: Retains 22% of wild-type reductase activity. Strong decrease in phosphorylation by PknB. Lack of phosphorylation by PknB; when associated with A-21 and A-114.; mutation to D: Phosphomimetic mutant that retains less than 10% of wild-type reductase activity. Impaired NADPH binding. Overproduction of the mutant leads to a significant inhibition of de novo biosynthesis of mycolic acids.

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

6j7uA Crystal structure of blue fluorescent protein from metagenomic library in complex with NADPH (see paper)
41% identity, 96% coverage: 5:249/255 of query aligns to 4:247/247 of 6j7uA

query
sites
6j7uA

N

N

K

G

K

K

V

V

A

A

V

F

I

V

T

T

G
|
G

G

G

A
x
S

M
x
R

G
|
G

I
|
I

G

G

A

A

E

A

A

I

A

V

S

R

A

R

L

L

A

A

S

A

D

D

G

G

H

A

H

D

V

I

I

A

I

F

C

T

D
x
Y

I
x
V

N
x
S

T

A

T

S

E
x
S

-

K

-

N

-

V

A

A

E

T

R

A

F

L

A

V

Q

Q

H

E

L

L

R

E

D

A

Q

K

G

G

F

R

C

R

A

A

D

R

A

A

F

I

Q

Q

I

A

D
|
D

V
x
S

G

A

T

D

P

P

A

A

S

Q

V

V

S

R

A

Q

A

A

F

V

E

E

W

Q

I

A

E

I

A

V

K

Q

F

L

G

G

R

P

C

V

D

D

V

V

L

L

V

V

N

N

S
x
N

A
|
A

G
|
G

I

I

A

F

K

L

T

A

M

G

P

P

F

L

L

G

E

E

F

V

D

T

A

L

D

D

V

D

F

Y

N

E

R

R

T

T

M

M

L

N

I
|
I

N

N

V

V

T

R

G

A

T

P

F

F

L

V

C

A

C

I

Q

Q

L

A

A

A

A

Q

R

A

I

S

M

M

R

-

K

-

H

P

E

D

F

G

G

G

R

R

I

I

N

N

I

I

A
x
G

S
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S

V

C

A

L

G

A

M

E

R

R

A

A

V

G

G

R

K

A

G

G

R

V

T

T

A

L

Y
|
Y

G

A

T

A

S

S

K
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K

G

S

A

A

V

L

I

L

A

G

L

M

T

T

R

R

Q

G

M

L

A

A

V

R

E

D

L

L

S

G

E

A

Y

R

G

G

I

I

T

T

A

A

N

N

A

V

I

V

A

H

P
|
P

G

G

P

P

V

I

D

D

T
|
T

P

D

M
|
M

T
x
N

K

P

E

-

L

-

H

-

S

A

D

D

E

G

F

E

R

R

K

S

A

G

Y

E

S

L

N

V

A

A

I

V

P

L

A

S

-

L

K

P

R

H

Y

Y

G

G

T

E

T

V

R

R

E

D

I

I

A

A

G

G

A

M

V

V

S

A

Y

F

L

L

A

A

S

G

D

P

V

D

S

G

A

R

Y

Y

V

V

N

T

G

G

I

A

V

S

L

L

P

A

V

V

D

D

G

G

F

F

L

A

A

A

active site: G16 (= G17), S142 (= S142), Y156 (= Y156)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G12 (= G13), S14 (≠ A15), R15 (≠ M16), I17 (= I18), Y36 (≠ D37), V37 (≠ I38), S38 (≠ N39), S41 (≠ E42), D65 (= D63), S66 (≠ V64), N92 (≠ S90), A93 (= A91), G94 (= G92), I115 (= I113), G141 (≠ A141), S142 (= S142), Y156 (= Y156), K160 (= K160), P186 (= P186), T191 (= T191), M193 (= M193), N194 (≠ T194)

1q7cA The structure of betaketoacyl-[acp] reductase y151f mutant in complex with NADPH fragment (see paper)
37% identity, 95% coverage: 7:247/255 of query aligns to 5:240/243 of 1q7cA

query
sites
1q7cA

K

K

V

I

A

A

V

L

I

V

T

T

G
|
G

G

A

A
x
S

M
x
R

G
|
G

I

I

G

G

A

R

E

A

A

I

A

A

S

E

A

T

L

L

A

A

S

A

D

R

G

G

H

A

H

K

V

V

I

I

I

-

C

-

D

-

I

-

N

G

T

T

T
x
A

E
x
T

A

S

E

E

R

N

F

G

A

A

Q

Q

H

A

L

I

R

S

D

D

Q

Y

-

L

G

G

F

A

C

N

A

G

D

K

A

G

F

L

Q

M

I
x
L

D
x
N

V
|
V

G

T

T

D

P

P

A

A

S

S

V

I

S

E

A

S

A

V

F

L

E

E

W

K

I

I

E

R

A

A

K

E

F

F

G

G

R

E

C

V

D

D

V

I

L

L

V

V

N

N

S

N

A

A

G
|
G

I
|
I

A

T

K

R

T

D

M

N

P

L

F

L

L

M

E

R

F

M

D

K

A

D

D

E

V

E

F

W

N

N

R

D

T

I

M

I

L

E

I

T

N

N

V

L

T

S

G

S

T

V

F

F

L

R

C

L

C

S

Q

K

L

A

A

V

A

M

R

R

I

A

M

M

R

M

K

K

H

K

E

R

F

H

G

G

R

R

I

I

N

T

I

I

A

G

S
|
S

V

V

A

V

G

G

M

T

R

M

A

G

V

N

G

G

K

-

G

G

R
x
Q

T

A

A

N

Y
x
F

G

A

T

A

S

A

K
|
K

G

A

A

G

V

L

I

I

A

G

L

F

T

S

R

K

Q

S

M

L

A

A

V

R

E

E

L

V

S

A

E

S

Y

R

G

G

I

I

T

T

A

V

N

N

A

V

I

V

A

A

P

P

G

G

P

F

V

I

D

E

T

T

P

D

M

M

T

T

K

R

E

A

L

L

H

-

S

S

D

D

E

D

F

Q

R

R

K

A

A

G

Y

I

S

L

N

A

A

Q

I

V

P

P

A

A

K

G

R

R

Y

L

G

G

T

G

T

A

R

Q

E

E

I

I

A

A

G

N

A

A

V

V

S

A

Y

F

L

L

A

A

S

S

D

D

V

E

S

A

A

A

Y

Y

V

I

N

T

G

G

I

E

V

T

L

L

P

H

V

V

D

N

G

G

F

M

active site: G15 (= G17), S137 (= S142), Q147 (≠ R153), F150 (≠ Y156), K154 (= K160)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G11 (= G13), S13 (≠ A15), R14 (≠ M16), A35 (≠ T41), T36 (≠ E42), L57 (≠ I62), N58 (≠ D63), V59 (= V64), G87 (= G92), I88 (= I93)

Query Sequence

>AO356_22455 FitnessBrowser__pseudo5_N2C3_1:AO356_22455
MTLANKKVAVITGGAMGIGAEAASALASDGHHVIICDINTTEAERFAQHLRDQGFCADAF
QIDVGTPASVSAAFEWIEAKFGRCDVLVNSAGIAKTMPFLEFDADVFNRTMLINVTGTFL
CCQLAARIMRKHEFGRIINIASVAGMRAVGKGRTAYGTSKGAVIALTRQMAVELSEYGIT
ANAIAPGPVDTPMTKELHSDEFRKAYSNAIPAKRYGTTREIAGAVSYLASDVSAYVNGIV
LPVDGGFLAWGAGDI

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