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Chlorine in PDB 6chj: Wax Ester Synthase/Diacylglycerol Acyltransferase From Marinobacter Aquaeolei VT8

Enzymatic activity of Wax Ester Synthase/Diacylglycerol Acyltransferase From Marinobacter Aquaeolei VT8

All present enzymatic activity of Wax Ester Synthase/Diacylglycerol Acyltransferase From Marinobacter Aquaeolei VT8:
2.3.1.20;

Protein crystallography data

The structure of Wax Ester Synthase/Diacylglycerol Acyltransferase From Marinobacter Aquaeolei VT8, PDB code: 6chj was solved by N.Petronikolou, S.K.Satish, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 51.95 / 2.43
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 69.268, 103.905, 69.529, 90.00, 103.51, 90.00
R / Rfree (%) 21.1 / 27.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Wax Ester Synthase/Diacylglycerol Acyltransferase From Marinobacter Aquaeolei VT8 (pdb code 6chj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Wax Ester Synthase/Diacylglycerol Acyltransferase From Marinobacter Aquaeolei VT8, PDB code: 6chj:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 6chj

Go back to Chlorine Binding Sites List in 6chj
Chlorine binding site 1 out of 6 in the Wax Ester Synthase/Diacylglycerol Acyltransferase From Marinobacter Aquaeolei VT8


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Wax Ester Synthase/Diacylglycerol Acyltransferase From Marinobacter Aquaeolei VT8 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:78.8
occ:1.00
 ND1 A:HIS80 3.4 57.6 1.0
CB B:SER238 3.5 50.6 1.0
O B:ARG239 3.7 49.7 1.0
CD B:ARG429 3.8 61.1 1.0
CE1 A:HIS80 4.1 56.3 1.0
N B:ARG239 4.1 45.1 1.0
CA B:SER238 4.2 50.7 1.0
OG B:SER105 4.2 52.0 1.0
OG B:SER238 4.4 57.6 1.0
C B:SER238 4.5 51.1 1.0
CG A:HIS80 4.5 58.8 1.0
NE B:ARG429 4.7 61.8 1.0
C B:ARG239 4.7 46.8 1.0
CB B:ARG429 4.8 57.1 1.0
NH2 A:ARG83 4.8 63.0 1.0
O B:SER101 4.8 49.4 1.0
NH1 B:ARG429 4.8 63.1 1.0
CA B:ALA102 4.9 45.6 1.0
CB A:HIS80 4.9 54.4 1.0
CG B:ARG429 4.9 62.2 1.0
NH1 A:ARG83 4.9 68.0 1.0
CZ A:ARG83 5.0 66.8 1.0

Chlorine binding site 2 out of 6 in 6chj

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Chlorine binding site 2 out of 6 in the Wax Ester Synthase/Diacylglycerol Acyltransferase From Marinobacter Aquaeolei VT8


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Wax Ester Synthase/Diacylglycerol Acyltransferase From Marinobacter Aquaeolei VT8 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl502

b:75.0
occ:1.00
 OE2 A:GLU116 2.8 66.4 1.0
NE2 A:HIS80 3.1 58.7 1.0
N A:ASP109 3.7 57.9 1.0
CD A:GLU116 3.7 56.9 1.0
CE A:MET108 3.8 43.6 1.0
CE1 A:HIS80 3.8 56.3 1.0
CG A:GLU116 3.9 49.3 1.0
CD2 A:HIS80 4.2 60.2 1.0
CB A:ASP109 4.3 57.3 1.0
CB A:MET108 4.3 51.0 1.0
CA A:MET108 4.3 50.9 1.0
O A:TRP115 4.4 48.2 1.0
CA A:ASP109 4.5 57.3 1.0
C A:MET108 4.5 55.3 1.0
NH2 A:ARG83 4.6 63.0 1.0
O A:ASP109 4.6 53.7 1.0
O A:PRO113 4.8 50.1 1.0
CG A:MET108 4.9 48.6 1.0
OE1 A:GLU116 4.9 58.0 1.0

Chlorine binding site 3 out of 6 in 6chj

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Chlorine binding site 3 out of 6 in the Wax Ester Synthase/Diacylglycerol Acyltransferase From Marinobacter Aquaeolei VT8


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Wax Ester Synthase/Diacylglycerol Acyltransferase From Marinobacter Aquaeolei VT8 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl501

b:74.0
occ:1.00
 O A:LEU107 3.0 59.2 1.0
ND1 B:HIS106 3.0 40.6 1.0
NH2 B:ARG17 3.2 64.7 1.0
CA B:HIS106 3.4 45.0 1.0
CZ B:ARG17 3.5 69.4 1.0
CB A:HIS106 3.5 42.9 1.0
NE B:ARG17 3.7 62.0 1.0
N A:LEU107 3.7 46.0 1.0
CB B:HIS106 3.8 42.2 1.0
CG B:HIS106 3.8 48.4 1.0
C A:LEU107 4.0 54.8 1.0
C A:HIS106 4.0 45.2 1.0
CA A:HIS106 4.0 44.7 1.0
CE1 B:HIS106 4.0 41.2 1.0
N B:LEU107 4.0 45.7 1.0
O B:SER105 4.2 48.3 1.0
CA A:LEU107 4.3 49.4 1.0
NH1 B:ARG17 4.3 64.5 1.0
C B:HIS106 4.3 45.5 1.0
N B:HIS106 4.3 46.0 1.0
CG A:HIS106 4.4 47.7 1.0
CB A:LEU107 4.5 47.1 1.0
C B:SER105 4.6 46.0 1.0
CD B:ARG17 4.6 59.4 1.0
O A:HIS106 4.7 49.9 1.0
ND1 A:HIS106 4.9 35.3 1.0
CD2 B:HIS106 5.0 46.5 1.0

Chlorine binding site 4 out of 6 in 6chj

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Chlorine binding site 4 out of 6 in the Wax Ester Synthase/Diacylglycerol Acyltransferase From Marinobacter Aquaeolei VT8


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Wax Ester Synthase/Diacylglycerol Acyltransferase From Marinobacter Aquaeolei VT8 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl502

b:54.0
occ:0.54
 ND1 B:HIS22 2.9 41.6 1.0
OE2 B:GLU15 2.9 47.0 1.0
N B:MET108 3.0 47.3 1.0
CG B:MET108 3.2 52.8 1.0
CD2 B:HIS135 3.6 52.5 1.0
CB B:MET108 3.7 49.0 1.0
CA B:LEU107 3.8 49.0 1.0
CG B:HIS22 3.8 47.2 1.0
CE1 B:HIS22 3.8 40.4 1.0
C B:LEU107 3.9 47.5 1.0
CD B:GLU15 3.9 54.2 1.0
CA B:MET108 3.9 53.5 1.0
CB B:HIS22 3.9 46.5 1.0
CD2 B:LEU107 4.0 52.5 1.0
CB B:PRO20 4.1 43.3 1.0
OE1 B:GLU15 4.1 56.4 1.0
SD B:MET108 4.2 55.1 1.0
NE2 B:HIS135 4.2 53.7 1.0
N B:MET21 4.2 48.5 1.0
N B:HIS22 4.3 49.3 1.0
O B:HIS106 4.5 47.5 1.0
CA B:PRO20 4.5 46.7 1.0
O B:MET108 4.5 56.9 1.0
CB B:LEU107 4.6 47.3 1.0
C B:MET108 4.7 53.6 1.0
CA B:HIS22 4.7 47.2 1.0
C B:MET21 4.8 46.0 1.0
C B:PRO20 4.8 49.9 1.0
CG B:HIS135 4.8 56.0 1.0
N B:LEU107 4.8 45.7 1.0
CG B:LEU107 5.0 49.6 1.0
NE2 B:HIS22 5.0 41.0 1.0
CD2 B:HIS22 5.0 42.7 1.0

Chlorine binding site 5 out of 6 in 6chj

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Chlorine binding site 5 out of 6 in the Wax Ester Synthase/Diacylglycerol Acyltransferase From Marinobacter Aquaeolei VT8


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Wax Ester Synthase/Diacylglycerol Acyltransferase From Marinobacter Aquaeolei VT8 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl503

b:83.2
occ:1.00
 N B:ASP109 3.4 61.1 1.0
NE2 B:HIS80 3.5 56.4 1.0
O B:ASP109 3.7 53.7 1.0
OE2 B:GLU116 3.8 67.9 1.0
CB B:ASP109 3.9 62.5 1.0
CB B:MET108 3.9 49.0 1.0
CE B:MET108 4.0 49.5 1.0
O B:PRO113 4.0 55.4 1.0
CA B:ASP109 4.1 60.3 1.0
CA B:MET108 4.3 53.5 1.0
C B:MET108 4.3 53.6 1.0
CD2 B:HIS80 4.3 54.7 1.0
C B:ASP109 4.3 55.7 1.0
CA B:MET114 4.4 51.3 1.0
CE1 B:HIS80 4.5 60.4 1.0
O B:TRP115 4.6 54.6 1.0
CG B:GLU116 4.6 54.1 1.0
N B:TRP115 4.7 51.9 1.0
CD B:GLU116 4.7 58.9 1.0
CG B:MET108 4.9 52.8 1.0
O B:ARG112 4.9 58.1 1.0
C B:MET114 4.9 56.2 1.0
C B:PRO113 4.9 55.8 1.0
CB B:ARG112 5.0 55.7 1.0

Chlorine binding site 6 out of 6 in 6chj

Go back to Chlorine Binding Sites List in 6chj
Chlorine binding site 6 out of 6 in the Wax Ester Synthase/Diacylglycerol Acyltransferase From Marinobacter Aquaeolei VT8


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Wax Ester Synthase/Diacylglycerol Acyltransferase From Marinobacter Aquaeolei VT8 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl504

b:76.2
occ:1.00
 ND1 B:HIS80 3.4 60.6 1.0
O A:ARG239 3.5 49.3 1.0
CB A:SER238 3.5 58.5 1.0
N A:ARG239 3.7 50.9 1.0
CD A:ARG429 3.8 63.2 1.0
CE1 B:HIS80 3.8 60.4 1.0
OG A:SER105 3.8 49.3 1.0
CA A:SER238 4.0 51.1 1.0
NH1 A:ARG429 4.1 62.9 1.0
C A:SER238 4.2 55.5 1.0
NH2 B:ARG83 4.4 60.3 1.0
C A:ARG239 4.5 51.2 1.0
O A:SER101 4.5 43.3 1.0
NE A:ARG429 4.6 69.3 1.0
OG A:SER238 4.6 61.7 1.0
CA A:ARG239 4.7 48.4 1.0
CA A:ALA102 4.7 49.0 1.0
CZ A:ARG429 4.7 67.4 1.0
CG B:HIS80 4.7 60.3 1.0
CB A:SER105 4.7 41.1 1.0
CB A:ARG429 4.8 58.3 1.0
C A:SER101 4.9 47.9 1.0
CG A:ARG429 4.9 58.4 1.0
N A:ALA102 5.0 47.2 1.0
CZ B:ARG83 5.0 58.4 1.0

Reference:

N.Petronikolou, S.K.Nair. Structural and Biochemical Studies of A Biocatalyst For the Enzymatic Production of Wax Esters. Acs Catalysis V. 8 6334 2018.
ISSN: ESSN 2155-5435
PubMed: 31559109
DOI: 10.1021/ACSCATAL.8B00787
Page generated: Fri Jul 26 23:29:33 2024

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