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Sodium in PDB 4ny8: Dna Polymerase Beta with O6MG in the Template Base Opposite to Incoming Non-Hydrolyzable Ctp with Manganese in the Active Site

Enzymatic activity of Dna Polymerase Beta with O6MG in the Template Base Opposite to Incoming Non-Hydrolyzable Ctp with Manganese in the Active Site

All present enzymatic activity of Dna Polymerase Beta with O6MG in the Template Base Opposite to Incoming Non-Hydrolyzable Ctp with Manganese in the Active Site:
2.7.7.7;

Protein crystallography data

The structure of Dna Polymerase Beta with O6MG in the Template Base Opposite to Incoming Non-Hydrolyzable Ctp with Manganese in the Active Site, PDB code: 4ny8 was solved by M.-C.Koag, K.Min, A.F.Monzingo, S.Lee, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.82 / 2.25
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 54.625, 79.288, 54.838, 90.00, 105.97, 90.00
R / Rfree (%) 20.6 / 26.5

Other elements in 4ny8:

The structure of Dna Polymerase Beta with O6MG in the Template Base Opposite to Incoming Non-Hydrolyzable Ctp with Manganese in the Active Site also contains other interesting chemical elements:

Manganese (Mn) 2 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the Dna Polymerase Beta with O6MG in the Template Base Opposite to Incoming Non-Hydrolyzable Ctp with Manganese in the Active Site (pdb code 4ny8). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Dna Polymerase Beta with O6MG in the Template Base Opposite to Incoming Non-Hydrolyzable Ctp with Manganese in the Active Site, PDB code: 4ny8:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in 4ny8

Go back to Sodium Binding Sites List in 4ny8
Sodium binding site 1 out of 2 in the Dna Polymerase Beta with O6MG in the Template Base Opposite to Incoming Non-Hydrolyzable Ctp with Manganese in the Active Site


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Dna Polymerase Beta with O6MG in the Template Base Opposite to Incoming Non-Hydrolyzable Ctp with Manganese in the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na403

b:27.6
occ:1.00
O P:HOH103 2.6 13.0 1.0
O A:THR101 2.6 16.4 1.0
O P:HOH101 2.9 14.0 1.0
NA A:NA404 3.4 12.6 1.0
C A:THR101 3.6 14.7 1.0
NZ A:LYS27 4.2 30.1 1.0
CA A:ARG102 4.2 17.8 1.0
N A:ARG102 4.3 17.5 1.0
CB A:THR101 4.5 14.3 1.0
OG1 A:THR101 4.7 13.7 1.0
CA A:THR101 4.7 11.6 1.0
C A:ARG102 4.7 17.6 1.0
OP1 P:DG9 4.8 13.3 1.0
O A:ARG102 4.9 17.2 1.0
OP2 P:DG9 4.9 13.8 1.0

Sodium binding site 2 out of 2 in 4ny8

Go back to Sodium Binding Sites List in 4ny8
Sodium binding site 2 out of 2 in the Dna Polymerase Beta with O6MG in the Template Base Opposite to Incoming Non-Hydrolyzable Ctp with Manganese in the Active Site


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Dna Polymerase Beta with O6MG in the Template Base Opposite to Incoming Non-Hydrolyzable Ctp with Manganese in the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na404

b:12.6
occ:1.00
O A:THR101 2.4 16.4 1.0
OP1 P:DG9 2.4 13.3 1.0
O A:ILE106 2.4 14.6 1.0
O A:VAL103 2.4 13.1 1.0
O P:HOH103 2.5 13.0 1.0
O P:HOH101 2.8 14.0 1.0
C A:THR101 3.2 14.7 1.0
C A:ILE106 3.3 8.4 1.0
C A:VAL103 3.3 14.6 1.0
NA A:NA403 3.4 27.6 1.0
P P:DG9 3.5 12.3 1.0
N A:ILE106 3.7 10.7 1.0
OP2 P:DG9 3.8 13.8 1.0
CA A:THR101 3.8 11.6 1.0
CA A:SER104 4.0 11.2 1.0
N A:GLY105 4.0 10.4 1.0
CA A:ILE106 4.0 10.2 1.0
N A:SER104 4.0 12.1 1.0
N A:VAL103 4.1 15.3 1.0
N A:GLY107 4.2 13.0 1.0
N A:ARG102 4.3 17.5 1.0
C A:ARG102 4.3 17.6 1.0
CA A:VAL103 4.3 14.4 1.0
C A:SER104 4.4 10.2 1.0
CB A:THR101 4.4 14.3 1.0
CB A:ILE106 4.4 10.0 1.0
O3' P:DC8 4.5 12.2 1.0
CA A:GLY107 4.5 9.9 1.0
CA A:ARG102 4.6 17.8 1.0
C A:GLY105 4.6 9.5 1.0
O5' P:DG9 4.6 13.9 1.0
O A:ARG102 4.7 17.2 1.0
O A:LEU100 4.8 14.2 1.0
CA A:GLY105 4.9 10.0 1.0

Reference:

M.C.Koag, S.Lee. Metal-Dependent Conformational Activation Explains Highly Promutagenic Replication Across O6-Methylguanine By Human Dna Polymerase Beta. J.Am.Chem.Soc. V. 136 5709 2014.
ISSN: ISSN 0002-7863
PubMed: 24694247
DOI: 10.1021/JA500172D
Page generated: Mon Oct 7 17:19:59 2024

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