SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing Ga0059261_2655 FitnessBrowser__Korea:Ga0059261_2655 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)

7tzpG Crystal structure of putataive short-chain dehydrogenase/reductase (fabg) from klebsiella pneumoniae subsp. Pneumoniae ntuh-k2044 in complex with nadh (see paper)
42% identity, 99% coverage: 3:258/259 of query aligns to 5:247/247 of 7tzpG

query
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7tzpG

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binding 1,4-dihydronicotinamide adenine dinucleotide: G15 (= G13), A17 (≠ N15), R18 (≠ K16), G19 (= G17), I20 (= I18), D39 (≠ A37), R40 (≠ I38), C63 (= C61), N64 (≠ D62), I65 (≠ V63), N91 (= N88), A92 (= A89), G93 (= G90), I94 (≠ V91), V114 (= V111), I141 (≠ T139), S143 (= S141), Y155 (= Y154), K159 (= K158), P185 (= P184), G186 (= G185), F187 (≠ I186), I188 (= I187), T190 (= T189), M192 (= M203), T193 (≠ G204)

3ak4A Crystal structure of nadh-dependent quinuclidinone reductase from agrobacterium tumefaciens
41% identity, 98% coverage: 4:258/259 of query aligns to 5:257/258 of 3ak4A

query
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3ak4A

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active site: G18 (= G17), S141 (= S141), L151 (≠ T151), Y154 (= Y154), K158 (= K158), E199 (≠ G200)
binding nicotinamide-adenine-dinucleotide: G14 (= G13), S16 (≠ N15), K17 (= K16), G18 (= G17), I19 (= I18), D38 (≠ E39), L39 (≠ A40), V60 (≠ C61), D61 (= D62), V62 (= V63), N88 (= N88), A89 (= A89), G90 (= G90), V91 (= V91), V111 (= V111), T139 (= T139), A140 (= A140), S141 (= S141), Y154 (= Y154), K158 (= K158), P184 (= P184), G185 (= G185), F186 (≠ I186), V187 (≠ I187), T189 (= T189), M191 (= M191), R194 (= R197)

4jroC Crystal structure of 3-oxoacyl-[acyl-carrier protein]reductase (fabg) from listeria monocytogenes in complex with NADP+
41% identity, 98% coverage: 4:258/259 of query aligns to 3:247/247 of 4jroC

query
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4jroC

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active site: G16 (= G17), S142 (= S141), Q152 (≠ T151), Y155 (= Y154), K159 (= K158)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G13), S14 (≠ N15), R15 (≠ K16), G16 (= G17), I17 (= I18), N35 (vs. gap), Y36 (vs. gap), N37 (vs. gap), G38 (= G36), S39 (≠ A37), A62 (≠ C61), N63 (≠ D62), V64 (= V63), N90 (= N88), A91 (= A89), G92 (= G90), I93 (≠ V91), I113 (≠ V111), A141 (= A140), S142 (= S141), Y155 (= Y154), K159 (= K158), P185 (= P184), G186 (= G185), I188 (= I187), T190 (= T189)

6pejA Structure of sorbitol dehydrogenase from sinorhizobium meliloti 1021 bound to sorbitol
38% identity, 100% coverage: 1:259/259 of query aligns to 1:257/257 of 6pejA

query
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6pejA

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active site: G17 (= G17), S140 (= S141), Y153 (= Y154)
binding sorbitol: F91 (≠ I92), S140 (= S141), Q141 (≠ G142), A142 (≠ Q143), R145 (≠ D146), E147 (≠ F148), Y153 (= Y154), G184 (= G185), V185 (≠ I186), H190 (≠ M191), W191 (= W192), F198 (≠ W199), V213 (= V216)

3osuA Crystal structure of the 3-oxoacyl-acyl carrier protein reductase, fabg, from staphylococcus aureus
38% identity, 97% coverage: 7:258/259 of query aligns to 5:246/246 of 3osuA

query
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3osuA

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V

L

D

D

I

V

A

L

V

V

Q

N

N
|
N

A

A

G

G

V

I

I

T

T

R

I

D

A

N

K

L

V

L

E

M

D

R

L

M

T

K

E

E

G

Q

E

E

W

W

D

D

L

D

N

V

L

I

A

D

V

T

N

N

T

L

K

K

G

G

A

V

F

F

L

N

C

C

C

I

Q

Q

E

K

A

A

I

T

R

P

R

Q

L

M

R

-

A

L

R

R

G

Q

K

R

P

S

G

G

R

A

L

I

I

I

N

N

T

L

A

S

S
|
S

G

V

Q

V

A

G

R

A

D

V

G

G

F

N

I

P

F

G

T
x
Q

P

A

H

N

Y
|
Y

A

V

A

A

S

T

K
|
K

F

A

G

G

V

V

V

I

G

G

M

L

T

T

Q

K

S

S

L

A

A

A

K

R

E

E

V

L

A

A

T

S

Q

R

G

G

I

I

T

T

V

V

N

N

A

A

I

V

C

A

P

P

G

G

I

F

I

I

H

V

T

S

D

D

M

M

W

T

D

D

Y

A

N

L

D

S

R

D

E

E

W

-

G

-

R

-

L

-

M

-

G

-

D

-

Y

-

A

-

P

-

G

-

A

-

L

L

M

K

E

E

E

Q

W

M

V

L

Q

T

G

Q

I

I

P

P

M

L

K

A

R

R

A

F

G

G

T

Q

G

D

A

T

D

D

V

I

A

A

A

N

L

T

V

V

A

A

F

F

L

L

A

A

S

S

A

D

D

K

A

A

S

K

Y

Y

I

I

T

T

G

G

Q

Q

T

T

I

I

N

H

V

V

D

N

G

G

L

M

I

Y

M

M

active site: G15 (= G17), S141 (= S141), Q151 (≠ T151), Y154 (= Y154), K158 (= K158)
binding magnesium ion: N89 (= N88), K158 (= K158)

3sj7A Structure of beta-ketoacetyl-coa reductase (fabg) from staphylococcus aureus complex with NADPH (see paper)
38% identity, 97% coverage: 7:258/259 of query aligns to 2:239/239 of 3sj7A

query
sites
3sj7A

K

K

C

S

A

A

V

L

I

V

S

T

G
|
G

G

A

N
x
S

K
x
R

G
|
G

I
|
I

G

G

L

R

A

S

I

I

A

A

E

L

R

Q

F

L

A

A

S

E

E

E

G

G

A

Y

N

N

I

V

V

A

I

V

-
x
N

-
x
Y

-
x
A

G
|
G

A
x
S

I

K

E

E

A

K

D

A

L

E

S

A

P

V

A

V

E

E

Q

E

A

-

L

I

A

K

G

A

Y

K

G

G

T

V

G

D

V

S

V

F

A

A

Q

I

R

Q

C
x
A

D
x
N

V
|
V

T

A

K

D

A

A

D

D

D

E

V

V

R

K

A

A

L

M

F

I

-

K

E

E

A

V

E

S

A

Q

F

F

G

G

G

S

V

L

D

D

I

V

A

L

V

V

Q

N

N
|
N

A
|
A

G
|
G

V
x
I

I

T

T

R

I

D

A

N

K

L

V

L

E

M

D

R

L

M

T

K

E

E

G

Q

E

E

W

W

D

D

L

D

N

V

L

I

A

D

V
x
T

N

N

T

L

K

K

G

G

A

V

F

F

L

N

C

C

C

I

Q

Q

E

K

A

A

I

T

R

P

R

Q

L

M

R

-

A

L

R

R

G

Q

K

R

P

S

G

G

R

A

L

I

I

I

N

N

T
x
L

A
x
S

S
|
S

G

V

Q

V

A

G

R

A

D

V

G

G

F

N

I

P

F

G

T
x
Q

P

A

H

N

Y
|
Y

A

V

A

A

S

T

K
|
K

F

A

G

G

V

V

V

I

G

G

M

L

T

T

Q

K

S

S

L

A

A

A

K

R

E

E

V

L

A

A

T

S

Q

R

G

G

I

I

T

T

V

V

N

N

A

A

I

V

C

A

P
|
P

G
|
G

I
x
F

I
|
I

H

V

T

S

D

D

M

M

W

T

D

D

Y

-

N

-

D

-

R

-

E

-

W

-

G

-

R

-

L

-

M

-

G

-

D

-

Y

-

A

-

P

-

G

-

A

E

L

L

M

K

E

E

E

Q

W

M

V

L

Q

T

G

Q

I

I

P

P

M

L

K

A

R

R

A

F

G

G

T

Q

G

D

A

T

D

D

V

I

A

A

A

N

L

T

V

V

A

A

F

F

L

L

A

A

S

S

A

D

D

K

A

A

S

K

Y

Y

I

I

T

T

G

G

Q

Q

T

T

I

I

N

H

V

V

D

N

G

G

L

M

I

Y

M

M

active site: G12 (= G17), S138 (= S141), Q148 (≠ T151), Y151 (= Y154), K155 (= K158)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G8 (= G13), S10 (≠ N15), R11 (≠ K16), G12 (= G17), I13 (= I18), N31 (vs. gap), Y32 (vs. gap), A33 (vs. gap), G34 (= G36), S35 (≠ A37), A58 (≠ C61), N59 (≠ D62), V60 (= V63), N86 (= N88), A87 (= A89), G88 (= G90), I89 (≠ V91), T109 (≠ V111), L136 (≠ T139), S137 (≠ A140), S138 (= S141), Y151 (= Y154), K155 (= K158), P181 (= P184), G182 (= G185), F183 (≠ I186), I184 (= I187)

4nbuB Crystal structure of fabg from bacillus sp (see paper)
36% identity, 100% coverage: 1:258/259 of query aligns to 2:244/244 of 4nbuB

query
sites
4nbuB

M

M

R

S

R

R

F

L

E

Q

G

D

K

K

C

V

A

A

V

I

I

I

S

T

G
|
G

G

A

N
x
A

K
x
N

G
|
G

I
|
I

G

G

L

L

A

E

I

A

A

A

E

R

R

V

F

F

A

M

S

K

E

E

G

G

A

A

N

K

I

V

V

V

I

I

G

-

A

-

I

-

E

-

A

A

D
|
D

L
x
F

S
x
N

P

E

A

A

-

A

-

G

E

K

Q

E

A

A

L

V

A

E

G

A

Y

-

G

N

T

P

G

G

V

V

A

F

Q

I

R

R

C
x
V

D
|
D

V
|
V

T

S

K

D

A

R

D

E

D

S

V

V

R

H

A

R

L

L

F

V

E

E

-

N

A

V

A

A

E

E

A

R

F

F

G

G

G

K

V

I

D

D

I

I

A

L

V

I

Q

N

N
|
N

A
|
A

G
|
G

V
x
I

I
x
T

T

R

I
x
D

A

S

K

M

V

L

E

S

D
x
K

L

M

T

T

E

V

G

D

E

Q

W

F

D

Q

L

Q

N

V

L

I

A

N

V
|
V

N
|
N

T

L

K

T

G

G

A

V

F

F

L

H

C

C

C

T

Q

Q

E

A

A

V

I

L

R

P

R

Y

L

M

R

A

A

E

R

Q

G

G

K

K

P

-

G

G

R

K

L

I

I

I

N

N

T
|
T

A
x
S

S
|
S

G

V

Q
x
T

A

G

R

T

D

Y

G

G

F
x
N

I
x
V

F
x
G

T
x
Q

P

T

H

N

Y
|
Y

A

A

S

A

K
|
K

F

A

G

G

V

V

V

I

G

G

M

M

T

T

Q

K

S

T

L

W

A

A

K

K

E

E

V

L

A

A

T

R

Q

K

G

G

I

I

T

N

V

V

N

N

A

A

I

V

C

A

P
|
P

G
|
G

I
x
F

I
x
T

H

E

T
|
T

D
x
A

M
|
M

W
x
V

D

-

Y

-

N

-

D

-

R

-

E

-

W

-

G

-

R

-

L

-

M

-

G

-

D

A

Y

E

A

V

P

P

G

E

A

K

L

V

M

I

E

E

E
x
K

W

M

V

K

Q

A

G

Q

I

V

P

P

M

M

K

G

R

R

A

L

G

G

T

K

G

P

A

E

D

D

V

I

A

A

A

N

L

A

V

Y

A

L

F

F

L

L

A

A

S

S

A

H

D

E

A

S

S

D

Y

Y

I

V

T

N

G

G

Q

H

T

V

I

L

N

H

V

V

D

D

G

G

L

I

I

M

M

M

active site: G18 (= G17), N111 (= N112), S139 (= S141), Q149 (≠ T151), Y152 (= Y154), K156 (= K158)
binding acetoacetyl-coenzyme a: T91 (≠ I92), D93 (≠ I94), K98 (≠ D99), S139 (= S141), T141 (≠ Q143), N146 (≠ F148), V147 (≠ I149), G148 (≠ F150), Q149 (≠ T151), Y152 (= Y154), F184 (≠ I186), M189 (= M191), K200 (≠ E214)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G13), A16 (≠ N15), N17 (≠ K16), G18 (= G17), I19 (= I18), D38 (= D41), F39 (≠ L42), N40 (≠ S43), V59 (≠ C61), D60 (= D62), V61 (= V63), N87 (= N88), A88 (= A89), G89 (= G90), I90 (≠ V91), V110 (= V111), T137 (= T139), S138 (≠ A140), S139 (= S141), Y152 (= Y154), K156 (= K158), P182 (= P184), G183 (= G185), F184 (≠ I186), T185 (≠ I187), T187 (= T189), A188 (≠ D190), M189 (= M191), V190 (≠ W192)

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, 98% coverage: 4:258/259 of query aligns to 13:245/247 of P9WGT3

query
sites
P9WGT3

F

F

E

V

G

S

K

R

C

S

A

V

V

L

I

V

S
x
T

G

G

N

N

K
x
R

G
|
G

I
|
I

G

G

L

L

A

A

I

I

A

A

E

Q

R

R

F

L

A

A

S

A

E

D

G

G

A

H

N

K

I

V

V

A

I

V

G

-

A

-

I

-

E

-

A

-

D

-

L

-

S

-

P

-

A

-

E

T

Q

H

A
x
R

L

G

A

S

G

G

Y

A

G

P

T

K

G

G

V

L

V

F

A

G

Q

V

R

E

C
|
C

D
|
D

V
|
V

T

T

K

D

A

S

D

D

D

A

V

V

R

D

A

R

L

A

F

F

E

T

A

A

A

V

E

E

A

E

F

H

-

Q

G

G

G

P

V

V

D

E

I

V

A

L

V

V

Q

S

N

N

A

A

G
|
G

V

L

I

S

T

A

I

D

A

A

K

F

V

L

E

M

D

R

L

M

T

T

E

E

G

E

E

K

W

F

D

E

L

K

N

V

L

I

A

N

V

A

N

N

T

L

K
x
T

G

G

A

A

F

F

L

R

C

V

C

A

Q

Q

E

R

A

A

I

S

R

R

R

S

L

M

R

Q

A

-

R

R

G

N

K

K

P

F

G

G

R

R

L

M

I

I

N

F

T

I

A
x
G

S
|
S

G

V

Q

S

A

G

R
x
S

D

W

G

G

F

I

I

G

F

N

T

Q

P

A

H

N

Y

Y

A

A

S

S

K

K

F

A

G

G

V

V

V

I

G

G

M

M

T

A

Q

R

S

S

L

I

A

A

K

R

E

E

V

L

A

S

T

K

Q

A

G

N

I

V

T

T

V

A

N

N

A

V

I

V

C

A

P

P

G

G

I
x
Y

I

I

H

D

T

T

D

D

M

M

W
x
T

D

R

Y

A

N

L

D

D

R

E

E

R

W

-

G

-

R

-

L

-

M

-

G

-

D

-

Y

-

A

-

P

-

G

-

A

-

L

I

M

Q

E

Q

E

G

W

A

V

L

Q

Q

G

F

I

I

P

P

M

A

K

K

R

R

A

V

G

G

T

T

G

P

A

A

D

E

V

V

A

A

A

G

L

V

V

V

A

S

F

F

L

L

A

A

S

S

A

E

D

D

A

A

S

S

Y

Y

I

I

T

S

G

G

Q

A

T

V

I

I

N

P

V

V

D

D

G

G

L

M

I

G

M

M

T21 (≠ S12) 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 (≠ KGI 16:18) binding
R47 (≠ A48) binding
C60 (= C61) 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 62:63) binding
G90 (= G90) binding
T114 (≠ K114) 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 (≠ A140) 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 (= S141) mutation to A: Loss of activity. Can still bind NADPH.; mutation to T: Loss of activity. Impaired NADPH binding.
S144 (≠ R145) 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 (≠ I186) mutation to L: 70% decrease in activity with acetoacetyl-CoA as substrate. Does not affect NADP binding.
T191 (≠ W192) 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

8cxaA Crystal structure of 3-oxoacyl-[acyl-carrier-protein] reductase from mycobacterium smegmatis with bound NAD
36% identity, 98% coverage: 3:256/259 of query aligns to 2:248/251 of 8cxaA

query
sites
8cxaA

R

R

F

L

E

A

G

N

K

R

C

V

A

A

V

I

I

I

S

T

G
|
G

G

A

N
x
A

K
x
Q

G
|
G

I
|
I

G

G

L

R

A

I

I

Y

A

A

E

E

R

R

F

F

A

A

S

E

E

E

G

G

A

A

N

A

I

V

V

V

I

V

G

A

A
x
D

I
|
I

-

N

E

E

A

P

D

K

L

A

S

T

P

E

A

V

E

A

Q

S

A

S

L

I

A

T

G

S

Y

L

G

G

T

G

G

R

V

A

V

I

A

A

Q

A

R

A

C
x
V

D
|
D

V
|
V

T

S

K

D

A

V

D

E

D

S

V

V

R

N

A

R

L

M

F

V

E

D

A

S

A

A

-

V

E

E

A

A

F

F

G

G

G

T

V

V

D

D

I

I

A

L

V

V

Q

N

N
|
N

A
|
A

G
x
A

V
x
I

I
x
F

T
x
S

I

T

A

L

K

K

V

M

-

K

-

P

-

F

E

E

D

E

L

I

T

S

E

G

G

D

E

E

W

W

D

D

L

K

N

L

L

F

A

A

V
|
V

N

N

T

A

K

K

G

G

A

T

F

F

L

L

C

C

Q

Q

E

-

A

A

I

V

R

S

R

P

L

V

R

M

A

R

R

K

G

N

K

Q

P

Y

G

G

R

R

L

I

I

I

N

N

T
x
I

A
x
S

S
|
S

G

S

Q

V

A

V

R

V

D

T

G

G

F

R

I

P

F

N

T

Y

P

A

H

H

Y
|
Y

A

I

A

A

S

S

K
|
K

F

G

G

A

V

V

V

W

G

A

M

L

T

T

Q

H

S

A

L

L

A

A

K

T

E

E

V

M

A

G

T

T

Q

D

G

G

I

I

T

T

V

V

N

N

A

T

I

V

C

S

P
|
P

G
x
H

I
x
G

I
|
I

H

I

T

T

D

E

M
x
I

W

P

D

R

Y

E

N

T

D

I

R

S

E

E

-

E

-

G

W

W

G

R

R

R

L

N

M

L

G

E

D

E

Y

Q

A

A

P

-

G

-

A

-

L

-

M

-

E

-

W

-

V

-

Q

-

G

-

I

-

P

-

M

L

K

K

R

R

A

K

G

G

T

D

G

A

A

S

D

D

V

L

A

V

A

G

L

I

V

L

A

L

F

Y

L

L

A

A

S

S

A

D

D

E

A

S

S

K

Y

F

I

M

T

T

G

G

Q

Q

T

T

I

V

N

A

V

L

D

D

G

A

G

G

L

L

binding nicotinamide-adenine-dinucleotide: G12 (= G13), A14 (≠ N15), Q15 (≠ K16), G16 (= G17), I17 (= I18), D36 (≠ A37), I37 (= I38), V61 (≠ C61), D62 (= D62), V63 (= V63), N89 (= N88), A90 (= A89), A91 (≠ G90), I92 (≠ V91), F93 (≠ I92), S94 (≠ T93), V115 (= V111), I142 (≠ T139), S143 (≠ A140), S144 (= S141), Y157 (= Y154), K161 (= K158), P187 (= P184), H188 (≠ G185), G189 (≠ I186), I190 (= I187), I194 (≠ M191)

Q5P5I4 (S)-1-Phenylethanol dehydrogenase; EC 1.1.1.311 from Aromatoleum aromaticum (strain EbN1) (Azoarcus sp. (strain EbN1)) (see 2 papers)
38% identity, 99% coverage: 2:257/259 of query aligns to 3:247/249 of Q5P5I4

query
sites
Q5P5I4

R

Q

R

R

F

L

E

K

G

D

K

K

C

L

A

A

V

V

I

I

S

T

G

G

N

A

K
x
N

G
|
G

I
|
I

G

G

L

R

A

A

I

I

A

A

E

E

R

R

F

F

A

A

S

V

E

E

G

G

A

A

N

D

I

I

V

A

I

I

G

-

A

-

I

-

E

-

A

A

D
|
D

L

L

S

V

P

P

-

A

-

P

-

E

A

A

E

E

Q

A

A

A

L

I

A

R

G

N

Y

L

G

G

T

R

G

R

V

V

V

L

A

T

Q

V

R

K

C
|
C

D
|
D

V
|
V

T

S

K

Q

A

P

D

G

D

D

V

V

R

E

A

A

L

F

-

G

F

K

E

Q

A

V

A

I

E

S

A

T

F

F

G

G

G

R

V

C

D

D

I

I

A

L

V

V

Q

N

N
|
N

A

A

G

G

V

I

I
x
Y

T

P

I

L

A

I

K

P

V

F

E

D

D

E

L

L

T

T

E

F

G

E

E

Q

W

W

D

K

L

K

N

T

L

F

A

E

V

I

N

N

T

V

K

D

G

S

A

G

F

F

L

L

C

M

C

A

Q

K

E

A

A

F

I

V

R

P

R

G

L

M

R

K

A

R

R

N

G

G

K

W

P

-

G

G

R

R

L

I

I

I

N

N

T

L

A

T

S

S

G

T

Q

T

A

Y

R

W

D

L

G

K

F

I

I

E

F

A

T

Y

P

T

H

H

Y

Y

A

I

A

S

S

T

K
|
K

F

A

G

A

V

N

V

I

G

G

M

F

T

T

Q

R

S

A

L

L

A

A

K

S

E

D

V

L

A

G

T

K

Q

D

G

G

I

I

T

T

V

V

N

N

A

A

I

I

C

A

P
|
P

G
x
S

I
x
L

I
x
V

H

R

T

T

D

A

M
x
T

W

T

D

E

Y

A

N

S

D

A

R

L

E

S

W

-

G

-

R

-

L

A

M

M

G

F

D

D

Y

V

A

L

P

P

G

N

A

M

L

L

M

-

E

-

W

-

V

-

Q

Q

G

A

I

I

P

P

M

-

K

-

R

R

A

L

G

Q

T

V

G

P

A

L

D

D

V

L

A

T

A

G

L

A

V

A

A

A

F

F

L

L

A

A

S

S

A

D

D

D

A

A

S

S

Y

F

I

I

T

T

G

G

Q

Q

T

T

I

L

N

A

V

V

D

D

G

G

L

M

I

V

NGI 17:19 (≠ KGI 16:18) binding
D38 (= D41) binding
CDV 61:63 (= CDV 61:63) binding
N89 (= N88) binding
Y93 (≠ I92) binding
K158 (= K158) binding
PSLV 184:187 (≠ PGII 184:187) binding
T191 (≠ M191) binding

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

2ewmB Crystal structure of the (s)-specific 1-phenylethanol dehydrogenase of the denitrifying bacterium strain ebn1 (see paper)
38% identity, 99% coverage: 2:257/259 of query aligns to 1:245/247 of 2ewmB

query
sites
2ewmB

R

Q

R

R

F

L

E

K

G

D

K

K

C

L

A

A

V

V

I

I

S

T

G
|
G

G

G

N

A

K
x
N

G
|
G

I
|
I

G

G

L

R

A

A

I

I

A

A

E

E

R

R

F

F

A

A

S

V

E

E

G

G

A

A

N

D

I

I

V

A

I

I

G

-

A

-

I

-

E

-

A

A

D
|
D

L
|
L

S

V

P

P

-

A

-

P

-

E

A

A

E

E

Q

A

A

A

L

I

A

R

G

N

Y

L

G

G

T

R

G

R

V

V

V

L

A

T

Q

V

R

K

C
|
C

D
|
D

V
|
V

T

S

K

Q

A

P

D

G

D

D

V

V

R

E

A

A

L

F

-

G

F

K

E

Q

A

V

A

I

E

S

A

T

F

F

G

G

G

R

V

C

D

D

I

I

A

L

V

V

Q

N

N
|
N

A
|
A

G
|
G

V

I

I
x
Y

T

P

I

L

A

I

K

P

V

F

E

D

D

E

L

L

T

T

E

F

G

E

E

Q

W

W

D

K

L

K

N

T

L

F

A

E

V
x
I

N

N

T

V

K

D

G

S

A

G

F

F

L

L

C

M

C

A

Q

K

E

A

A

F

I

V

R

P

R

G

L

M

R

K

A

R

R

N

G

G

K

W

P

-

G

G

R

R

L

I

I

I

N

N

T

L

A
x
T

S
|
S

G

T

Q

T

A

Y

R

W

D

L

G

K

F

I

I

E

F

A

T
x
Y

P

T

H

H

Y
|
Y

A

I

A

S

S

T

K
|
K

F

A

G

A

V

N

V

I

G

G

M

F

T

T

Q

R

S

A

L

L

A

A

K

S

E

D

V

L

A

G

T

K

Q

D

G

G

I

I

T

T

V

V

N

N

A

A

I

I

C

A

P
|
P

G
x
S

I
x
L

I
x
V

H

R

T
|
T

D

A

M
x
T

W
x
T

D

E

Y

A

N

S

D

A

R

L

E

S

W

-

G

-

R

-

L

A

M

M

G

F

D

D

Y

V

A

L

P

P

G

N

A

M

L

L

M

-

E

-

W

-

V

-

Q

Q

G

A

I

I

P

P

M

-

K

-

R

R

A

L

G

Q

T

V

G

P

A

L

D

D

V

L

A

T

A

G

L

A

V

A

A

A

F

F

L

L

A

A

S

S

A

D

D

D

A

A

S

S

Y

F

I

I

T

T

G

G

Q

Q

T

T

I

L

N

A

V

V

D

D

G

G

L

M

I

V

active site: G16 (= G17), S139 (= S141), Y149 (≠ T151), Y152 (= Y154), K156 (= K158)
binding nicotinamide-adenine-dinucleotide: G12 (= G13), N15 (≠ K16), G16 (= G17), I17 (= I18), D36 (= D41), L37 (= L42), C59 (= C61), D60 (= D62), V61 (= V63), N87 (= N88), A88 (= A89), G89 (= G90), Y91 (≠ I92), I110 (≠ V111), T138 (≠ A140), S139 (= S141), Y152 (= Y154), K156 (= K158), P182 (= P184), S183 (≠ G185), L184 (≠ I186), V185 (≠ I187), T187 (= T189), T189 (≠ M191), T190 (≠ W192)

3wyeA Crystal structure of chimeric engineered (2s,3s)-butanediol dehydrogenase complexed with NAD+
36% identity, 98% coverage: 7:259/259 of query aligns to 2:255/255 of 3wyeA

query
sites
3wyeA

K

K

C

V

A

A

V

L

I

V

S

T

G
|
G

G

A

N
x
G

K
x
Q

G
|
G

I
|
I

G

G

L

K

A

A

I

I

A

A

E

L

R

R

F

L

A

V

S

K

E

D

G

G

A

F

N

A

I

V

V

A

I

I

G

A

A
x
D

I
x
Y

-

N

E

D

A

A

D

T

L

A

S

K

P

A

A

V

E

A

Q

S

A

E

L

I

A

N

G

Q

Y

A

G

G

T

G

G

H

V

A

V

V

A

A

Q

V

R

K

C
x
V

D
|
D

V
|
V

T

S

K

D

A

R

D

D

D

Q

V

V

R

F

A

A

L

A

F

V

E

E

A

Q

A

A

-

R

E

K

A

T

F

L

G

G

V

F

D

D

I

V

A

I

V

V

Q

N

N
|
N

A
|
A

G
|
G

V
x
I

I

A

T

Q

I

I

A

K

K

P

V

L

E

L

D

E

L

V

T

T

E

E

G

E

E

D

W

L

D

K

L

Q

N

I

L

Y

A

S

V
|
V

N

N

T

V

K

F

G

S

A

V

F

F

L

F

C

G

C

I

Q

Q

E

A

A

A

I

V

R

E

R

A

L

F

R

K

A

K

R

E

G

G

K

H

P

G

G

G

R

K

L

I

I

I

N

N

T
x
A

A
|
A

S
|
S

G

I

Q

A

A

A

R

I

D

Q

G

G

F

F

I

P

F

I

T

L

P

S

H

A

Y
|
Y

A

S

A

T

S

T

K
|
K

F

F

G

A

V

V

V

R

G

G

M

L

T

T

Q

Q

S

T

L

A

A

A

K

R

E

D

V

L

A

A

T

P

Q

L

G

G

I

I

T

T

V

V

N

N

A

G

I

Y

C

C

P
|
P

G
|
G

I
|
I

I
x
V

H

G

T
|
T

D
x
G

M
|
M

W
|
W

D

E

Y

Q

N

I

D

D

R

A

E

E

W
x
L

G

S

R

K

L

I

M

N

G

G

D

K

Y

-

A

P

P

I

G

G

A

E

L

N

M

F

E

K

E

E

W

Y

V

S

Q

S

G

S

I

I

P

A

M

L

K

G

R

R

A

P

G

S

T

V

G

P

A

E

D

D

V

V

A

A

A

G

L

L

V

V

A

S

F

F

L

L

A

A

S

S

A

P

D

D

A

S

S

D

Y

Y

I

M

T

T

G

G

Q

Q

T

S

I

L

N

L

V

I

D

D

G

G

L

M

I

V

M

F

S

N

active site: G12 (= G17), S138 (= S141), Y151 (= Y154), K155 (= K158), L196 (≠ W199)
binding nicotinamide-adenine-dinucleotide: G8 (= G13), G10 (≠ N15), Q11 (≠ K16), G12 (= G17), I13 (= I18), D32 (≠ A37), Y33 (≠ I38), V57 (≠ C61), D58 (= D62), V59 (= V63), N85 (= N88), A86 (= A89), G87 (= G90), I88 (≠ V91), V108 (= V111), A136 (≠ T139), A137 (= A140), S138 (= S141), Y151 (= Y154), K155 (= K158), P181 (= P184), G182 (= G185), I183 (= I186), V184 (≠ I187), T186 (= T189), G187 (≠ D190), M188 (= M191), W189 (= W192)

Q9ZNN8 L-2,3-butanediol dehydrogenase; L-BDH; (S,S)-butanediol dehydrogenase; Diacetyl reductase [(S)-acetoin forming]; EC 1.1.1.76; EC 1.1.1.304 from Corynebacterium glutamicum (Brevibacterium saccharolyticum) (see paper)
38% identity, 98% coverage: 7:259/259 of query aligns to 3:258/258 of Q9ZNN8

query
sites
Q9ZNN8

K

K

C

V

A

A

V

M

I

V

S

T

G

G

N

A

K
x
Q

G
|
G

I
|
I

G

G

L

R

A

G

I

I

A

S

E

E

R

K

F

L

A

A

S

A

E

D

G

G

A

F

N

D

I

I

V

A

I

V

G

-

A

-

I

-

E

-

A

A

D
|
D

L

L

S

P

P

Q

A
x
Q

E

E

Q

E

A

Q

L

A

A

A

G

E

Y

T

G

I

T

K

G

L

V

I

V

E

A

A

-

A

-

D

Q

Q

R

K

C

A

-

V

-

F

-

V

-

G

-

L

D
|
D

V
|
V

T

T

-

D

K

K

A

A

D

N

D

F

V

D

R

S

A

A

L

I

F

D

E

E

A

A

E

E

A

K

F

L

G

G

V

F

D

D

I

V

A

L

V

V

Q

N

N
|
N

A

A

G

G

V

I

I

A

T

Q

I

I

A

K

K

P

V

L

E

L

D

E

L

V

T

T

E

E

G

E

E

D

W

L

D

K

L

Q

N

I

L

Y

A

S

V

V

N

N

T

V

K

F

G

S

A

V

F

F

L

F

C

G

C

I

Q

Q

E

A

A

A

I

S

R

R

R

K

L

F

R

D

A

E

R

L

G

G

K

V

P

K

G

G

R

K

L

I

I

I

N

N

T

A

A

A

S

S

G
x
I

Q

A

A

A

R

I

D

Q

G

G

F
|
F

I

P

F

I

T

L

P

S

H

A

Y
|
Y

A

S

A

T

S

T

K
|
K

F

F

G

A

V

V

V

R

G

G

M

L

T

T

Q

Q

S

A

L

A

A

A

K

Q

E

E

V

L

A

A

T

P

Q

K

G

G

I

H

T

T

V

V

N

N

A

A

I

Y

C

A

P
|
P

G
|
G

I
|
I

I
x
V

H
x
G

T
|
T

D

G

M

M

W

W

D

E

Y

Q

N

I

D

D

R

A

E

E

W

L

G

S

R

K

L

I

M

N

G

G

D

K

Y

-

A

P

P

I

G

G

A

E

L

N

M

F

E

K

E

E

W

Y

V

S

Q

S

G

S

I

I

P

A

M

L

K

G

R

R

A

P

G

S

T

V

G

P

A

E

D

D

V

V

A

A

A

G

L

L

V

V

A

S

F

F

L

L

A

A

S

S

A

E

D

N

A

S

S

N

Y

Y

I

V

T

T

G

G

Q

Q

T

V

I

M

N

L

V

V

D

D

G

G

L

M

I

L

M

Y

S

N

QGI 12:14 (≠ KGI 16:18) binding
D33 (= D41) binding
Q37 (≠ A45) binding
DV 61:62 (= DV 62:63) binding
N88 (= N88) binding
I142 (≠ G142) mutation to Q: Loss of L-BD oxidizing activity, and does not gain the ability to use meso-BD as substrate; when associated with N-148.; mutation to Q: Loss of L-BD oxidizing activity. Does not gain the ability to use meso-BD as substrate.
F148 (= F148) mutation to N: Loss of L-BD oxidizing activity, and does not gain the ability to use meso-BD as substrate; when associated with Q-142.; mutation to N: Loss of L-BD oxidizing activity. Does not gain the ability to use meso-BD as substrate.
Y154 (= Y154) binding
K158 (= K158) binding
PGIVGT 184:189 (≠ PGIIHT 184:189) binding

3a28C Crystal structure of l-2,3-butanediol dehydrogenase (see paper)
38% identity, 98% coverage: 7:259/259 of query aligns to 2:257/257 of 3a28C

query
sites
3a28C

K

K

C

V

A

A

V

M

I

V

S

T

G
|
G

G

G

N

A

K
x
Q

G
|
G

I
|
I

G

G

L

R

A

G

I

I

A

S

E

E

R

K

F

L

A

A

S

A

E

D

G

G

A

F

N

D

I

I

V

A

I

V

G

-

A

-

I

-

E

-

A

A

D
|
D

L
|
L

S

P

P

Q

A
x
Q

E

E

Q

E

A

Q

L

A

A

A

G

E

Y

T

G

I

T

K

G

L

V

I

V

E

A

A

-

A

-

D

Q

Q

R

K

C

A

-

V

-

F

-

V

-

G

-
x
L

D
|
D

V
|
V

T

T

-

D

K

K

A

A

D

N

D

F

V

D

R

S

A

A

L

I

F

D

E

E

A

A

E

E

A

K

F

L

G

G

V

F

D

D

I

V

A

L

V

V

Q

N

N
|
N

A
|
A

G
|
G

V
x
I

I

A

T

Q

I

I

A

K

K

P

V

L

E

L

D

E

L

V

T

T

E

E

G

E

E

D

W

L

D

K

L

Q

N

I

L

Y

A

S

V
|
V

N

N

T

V

K

F

G

S

A

V

F

F

L

F

C

G

C

I

Q

Q

E

A

A

A

I

S

R

R

R

K

L

F

R

D

A

E

R

L

G

G

K

V

P

K

G

G

R

K

L

I

I

I

N

N

T
x
A

A
|
A

S
|
S

G

I

Q

A

A

A

R

I

D

Q

G

G

F

F

I

P

F

I

T

L

P

S

H

A

Y
|
Y

A

S

A

T

S

T

K
|
K

F

F

G

A

V

V

V

R

G

G

M

L

T

T

Q

Q

S

A

L

A

A

A

K

Q

E

E

V

L

A

A

T

P

Q

K

G

G

I

H

T

T

V

V

N

N

A

A

I

Y

C

A

P
|
P

G
|
G

I
|
I

I
x
V

H

G

T
|
T

D

G

M
|
M

W
|
W

D

E

Y

Q

N

I

D

D

R

A

E

E

W
x
L

G

S

R

K

L

I

M

N

G

G

D

K

Y

-

A

P

P

I

G

G

A

E

L

N

M

F

E

K

E

E

W

Y

V

S

Q

S

G

S

I

I

P

A

M

L

K

G

R

R

A

P

G

S

T

V

G

P

A

E

D

D

V

V

A

A

A

G

L

L

V

V

A

S

F

F

L

L

A

A

S

S

A

E

D

N

A

S

S

N

Y

Y

I

V

T

T

G

G

Q

Q

T

V

I

M

N

L

V

V

D

D

G

G

L

M

I

L

M

Y

S

N

active site: G12 (= G17), S140 (= S141), Y153 (= Y154), K157 (= K158), L198 (≠ W199)
binding nicotinamide-adenine-dinucleotide: G8 (= G13), Q11 (≠ K16), G12 (= G17), I13 (= I18), D32 (= D41), L33 (= L42), Q36 (≠ A45), L59 (vs. gap), D60 (= D62), V61 (= V63), N87 (= N88), A88 (= A89), G89 (= G90), I90 (≠ V91), V110 (= V111), A138 (≠ T139), A139 (= A140), S140 (= S141), Y153 (= Y154), K157 (= K158), P183 (= P184), G184 (= G185), I185 (= I186), V186 (≠ I187), T188 (= T189), M190 (= M191), W191 (= W192)

4nbtA Crystal structure of fabg from acholeplasma laidlawii (see paper)
36% identity, 98% coverage: 2:256/259 of query aligns to 1:237/239 of 4nbtA

query
sites
4nbtA

R

K

F

L

E

E

G

G

K

K

C

V

A

A

V

V

I

I

S

T

G
|
G

G

G

N

A

K
|
K

G
|
G

I
x
L

G

G

L

Q

A

A

I

I

A

A

E

L

R

A

F

Y

A

A

S

E

E

E

G

G

A

A

N

K

I

V

V

I

I

A

G

G

A
x
D

I
x
L

E

-

A

G

D

D

L

L

S

T

P

Y

A

S

E

H

Q

P

A

N

L

V

A

E

G

G

Y

-

G

-

T

-

G

-

V

-

A

-

Q

M

R

Y

C
x
L

D
x
N

V
|
V

T

T

K

D

A

V

D

T

D

G

V

V

R

E

A

K

L

F

F

Y

E

Q

A

S

A

V

-

I

E

D

A

K

F

Y

G

G

G

K

V

I

D

D

I

I

A

L

V

V

Q

N

N
|
N

A
|
A

G
|
G

V
x
I

I

T

T

K

I

D

A

A

K

M

V

T

E

R

D

K

L

M

T

T

E

E

G

A

E

Q

W

W

D

D

L

A

N

V

L

I

A

D

V
|
V

N

N

T

L

K

K

G

G

A

V

F

F

L

N

C

L

C

T

Q

R

E

L

A

V

I

G

R

P

R

Q

L

M

R

Q

A

T

R

N

G

G

K

Y

P

-

G

G

R

S

L

I

I

I

N

N

T
x
I

A
x
S

S
|
S

G

V

Q

V

A

G

R

V

D

F

G

G

F

N

I

I

F

G

T

Q

P

A

H

N

Y
|
Y

A

A

S

T

K
|
K

F

A

G

G

V

V

V

I

G

G

M

L

T

T

Q

M

S

T

L

W

A

A

K

K

E

E

V

F

A

A

T

L

Q

K

G

G

-

A

-

N

I

V

T

R

V

V

N

N

A

A

I

I

C

A

P
|
P

G
|
G

I
x
Y

I
|
I

H

M

T
|
T

D

D

M

I

W

L

D

K

Y

T

N

-

D

-

R

-

E

-

W

-

G

-

R

-

L

-

M

-

G

-

D

-

Y

-

A

V

P

P

G

Q

A

D

L

L

M

L

E

D

E

K

W

F

V

A

Q

A

G

L

I

T

P

M

M

L

K

N

R

R

A

L

G

G

T

Q

G

P

A

E

D

E

V

I

A

A

A

K

L

V

V

A

A

L

F

F

L

L

A

A

S

S

A

D

D

D

A

A

S

S

Y

Y

I

V

T

T

G

G

Q

Q

T

T

I

I

N

N

V

V

D

N

G

G

L

M

active site: G16 (= G17), S132 (= S141), Y145 (= Y154), K149 (= K158)
binding nicotinamide-adenine-dinucleotide: G12 (= G13), K15 (= K16), G16 (= G17), L17 (≠ I18), D36 (≠ A37), L37 (≠ I38), L52 (≠ C61), N53 (≠ D62), V54 (= V63), N80 (= N88), A81 (= A89), G82 (= G90), I83 (≠ V91), V103 (= V111), I130 (≠ T139), S131 (≠ A140), S132 (= S141), Y145 (= Y154), K149 (= K158), P177 (= P184), G178 (= G185), Y179 (≠ I186), I180 (= I187), T182 (= T189)

6ci9D Rmm microcompartment-associated aminopropanol dehydrogenase NADP + aminoacetone holo-structure (see paper)
38% identity, 98% coverage: 4:258/259 of query aligns to 7:251/259 of 6ci9D

query
sites
6ci9D

F

L

E

E

G

G

K

R

C

S

A

A

V

I

I

V

S

T

G
|
G

G

G

N
x
S

K
|
K

G
|
G

I
|
I

G

G

L

R

A

G

I

I

A

A

E

E

R

T

F

F

A

A

S

N

E

A

G

G

A

V

N

D

I

V

V

V

I

I

-

T

G
|
G

A
x
R

I
x
N

E

Q

A

D

D

D

L

L

S

D

P

R

A

T

E

V

Q

A

A

D

L

L

A

S

G

G

Y

T

G

R

T

G

G

K

V

V

V

T

A

A

Q

V

R

R

C
x
A

D
|
D

V
|
V

T

T

K

D

A

P

D

E

D

D

V

A

R

R

-

R

A

T

L

V

F

A

E

E