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Calcium in PDB 5vs2: Human Dna Polymerase Beta Pre-Catalytic 8-Oxog:Da Extension Complex with Dttp Bound in Watson-Crick Conformation

Enzymatic activity of Human Dna Polymerase Beta Pre-Catalytic 8-Oxog:Da Extension Complex with Dttp Bound in Watson-Crick Conformation

All present enzymatic activity of Human Dna Polymerase Beta Pre-Catalytic 8-Oxog:Da Extension Complex with Dttp Bound in Watson-Crick Conformation:
2.7.7.7;

Protein crystallography data

The structure of Human Dna Polymerase Beta Pre-Catalytic 8-Oxog:Da Extension Complex with Dttp Bound in Watson-Crick Conformation, PDB code: 5vs2 was solved by A.J.Reed, Z.Suo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.64 / 2.33
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 50.940, 80.490, 55.660, 90.00, 107.28, 90.00
R / Rfree (%) 18.7 / 25

Other elements in 5vs2:

The structure of Human Dna Polymerase Beta Pre-Catalytic 8-Oxog:Da Extension Complex with Dttp Bound in Watson-Crick Conformation also contains other interesting chemical elements:

Sodium (Na) 2 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Human Dna Polymerase Beta Pre-Catalytic 8-Oxog:Da Extension Complex with Dttp Bound in Watson-Crick Conformation (pdb code 5vs2). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Human Dna Polymerase Beta Pre-Catalytic 8-Oxog:Da Extension Complex with Dttp Bound in Watson-Crick Conformation, PDB code: 5vs2:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in 5vs2

Go back to Calcium Binding Sites List in 5vs2
Calcium binding site 1 out of 3 in the Human Dna Polymerase Beta Pre-Catalytic 8-Oxog:Da Extension Complex with Dttp Bound in Watson-Crick Conformation


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Human Dna Polymerase Beta Pre-Catalytic 8-Oxog:Da Extension Complex with Dttp Bound in Watson-Crick Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
P:Ca101

b:13.5
occ:1.00
OD1 A:ASP192 2.2 11.7 1.0
OD2 A:ASP256 2.3 17.4 1.0
OD2 A:ASP190 2.3 17.1 1.0
O3' P:DA10 2.3 11.7 1.0
O A:HOH532 2.4 16.0 1.0
O2A A:TTP401 2.5 13.7 1.0
OD1 A:ASP190 2.6 14.7 1.0
CG A:ASP190 2.8 16.4 1.0
CG A:ASP192 3.3 13.0 1.0
C3' P:DA10 3.4 13.7 1.0
CG A:ASP256 3.5 16.4 1.0
PA A:TTP401 3.6 14.4 1.0
OD2 A:ASP192 3.7 12.3 1.0
CA A:CA402 3.8 21.0 1.0
O5' A:TTP401 3.9 12.7 1.0
C4' P:DA10 4.1 14.3 1.0
CB A:ASP256 4.2 15.7 1.0
C5' A:TTP401 4.2 12.3 1.0
O1A A:TTP401 4.2 14.9 1.0
C5' P:DA10 4.2 14.6 1.0
CB A:ASP190 4.3 15.5 1.0
OD1 A:ASP256 4.4 16.1 1.0
O A:HOH585 4.5 25.2 1.0
O A:MET191 4.5 12.7 1.0
OP1 P:DA10 4.6 14.7 1.0
CB A:ASP192 4.6 12.8 1.0
C2' P:DA10 4.7 13.7 1.0
O5' P:DA10 4.8 15.2 1.0
C A:MET191 4.9 13.2 1.0
NH2 A:ARG254 5.0 18.7 1.0

Calcium binding site 2 out of 3 in 5vs2

Go back to Calcium Binding Sites List in 5vs2
Calcium binding site 2 out of 3 in the Human Dna Polymerase Beta Pre-Catalytic 8-Oxog:Da Extension Complex with Dttp Bound in Watson-Crick Conformation


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Human Dna Polymerase Beta Pre-Catalytic 8-Oxog:Da Extension Complex with Dttp Bound in Watson-Crick Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
P:Ca102

b:37.4
occ:1.00
O A:THR101 2.4 17.8 1.0
OP1 P:DC9 2.5 16.8 1.0
O A:HOH609 2.5 14.6 1.0
O A:VAL103 2.6 11.7 1.0
O A:ILE106 2.7 13.3 1.0
C A:VAL103 3.4 13.2 1.0
P P:DC9 3.4 17.6 1.0
C A:THR101 3.4 18.2 1.0
OP2 P:DC9 3.5 17.7 1.0
C A:ILE106 3.7 14.1 1.0
CA A:SER104 3.8 12.9 1.0
N A:GLY105 3.8 14.2 1.0
N A:ILE106 3.9 14.8 1.0
N A:SER104 3.9 12.5 1.0
N A:VAL103 4.1 14.6 1.0
CA A:THR101 4.2 18.7 1.0
C A:SER104 4.2 13.0 1.0
C A:ARG102 4.2 15.8 1.0
O3' P:DG8 4.3 17.8 1.0
CA A:ILE106 4.3 14.1 1.0
CA A:VAL103 4.4 14.0 1.0
N A:ARG102 4.4 17.2 1.0
CA A:ARG102 4.5 17.6 1.0
O A:ARG102 4.6 16.6 1.0
CB A:ILE106 4.6 14.7 1.0
O5' P:DC9 4.6 16.7 1.0
N A:GLY107 4.7 14.5 1.0
C A:GLY105 4.7 14.8 1.0
CA A:GLY105 4.8 15.1 1.0
CB A:THR101 4.8 19.4 1.0
CA A:GLY107 4.9 15.2 1.0
O A:LEU100 5.0 15.9 1.0

Calcium binding site 3 out of 3 in 5vs2

Go back to Calcium Binding Sites List in 5vs2
Calcium binding site 3 out of 3 in the Human Dna Polymerase Beta Pre-Catalytic 8-Oxog:Da Extension Complex with Dttp Bound in Watson-Crick Conformation


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Human Dna Polymerase Beta Pre-Catalytic 8-Oxog:Da Extension Complex with Dttp Bound in Watson-Crick Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca402

b:21.0
occ:1.00
OD2 A:ASP192 2.2 12.3 1.0
OD1 A:ASP190 2.3 14.7 1.0
O2A A:TTP401 2.4 13.7 1.0
O2B A:TTP401 2.4 16.0 1.0
O3G A:TTP401 2.4 28.4 1.0
O A:HOH511 2.5 9.9 1.0
O A:ASP190 3.0 15.2 1.0
CG A:ASP192 3.3 13.0 1.0
PB A:TTP401 3.4 16.4 1.0
CG A:ASP190 3.4 16.4 1.0
PA A:TTP401 3.6 14.4 1.0
C A:ASP190 3.6 15.1 1.0
PG A:TTP401 3.6 33.7 1.0
OD1 A:ASP192 3.7 11.7 1.0
O3A A:TTP401 3.8 15.9 1.0
CA P:CA101 3.8 13.5 1.0
O3B A:TTP401 3.9 20.9 1.0
N A:ASP190 3.9 15.4 1.0
CA A:ASP190 4.1 14.9 1.0
O A:HOH585 4.3 25.2 1.0
O A:HOH582 4.3 14.0 1.0
O1G A:TTP401 4.3 24.2 1.0
OD2 A:ASP190 4.3 17.1 1.0
CB A:ASP190 4.3 15.5 1.0
OG A:SER180 4.4 18.6 1.0
N A:MET191 4.5 15.2 1.0
N A:SER180 4.6 15.3 1.0
C5' A:TTP401 4.6 12.3 1.0
O5' A:TTP401 4.6 12.7 1.0
CB A:ASP192 4.6 12.8 1.0
CA A:GLY179 4.6 15.3 1.0
O1A A:TTP401 4.8 14.9 1.0
O1B A:TTP401 4.8 15.2 1.0
N A:ASP192 4.8 13.1 1.0
C A:MET191 4.9 13.2 1.0
CA A:MET191 4.9 14.5 1.0
O2G A:TTP401 4.9 30.8 1.0
O A:HOH532 4.9 16.0 1.0
C A:GLY189 4.9 16.6 1.0

Reference:

A.J.Reed, Z.Suo. Time-Dependent Extension From An 8-Oxoguanine Lesion By Human Dna Polymerase Beta. J. Am. Chem. Soc. V. 139 9684 2017.
ISSN: ESSN 1520-5126
PubMed: 28682600
DOI: 10.1021/JACS.7B05048
Page generated: Mon Jul 15 12:35:57 2024

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