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Sodium in PDB 4mff: Structure of Human Dna Polymerase Beta Complexed with O6MG in the Template Base Paired with Incoming Non-Hydrolyzable Ttp

Enzymatic activity of Structure of Human Dna Polymerase Beta Complexed with O6MG in the Template Base Paired with Incoming Non-Hydrolyzable Ttp

All present enzymatic activity of Structure of Human Dna Polymerase Beta Complexed with O6MG in the Template Base Paired with Incoming Non-Hydrolyzable Ttp:
2.7.7.7;

Protein crystallography data

The structure of Structure of Human Dna Polymerase Beta Complexed with O6MG in the Template Base Paired with Incoming Non-Hydrolyzable Ttp, PDB code: 4mff 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) 20.00 / 2.55
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 54.546, 78.839, 54.751, 90.00, 105.95, 90.00
R / Rfree (%) 22.2 / 29.4

Other elements in 4mff:

The structure of Structure of Human Dna Polymerase Beta Complexed with O6MG in the Template Base Paired with Incoming Non-Hydrolyzable Ttp also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the Structure of Human Dna Polymerase Beta Complexed with O6MG in the Template Base Paired with Incoming Non-Hydrolyzable Ttp (pdb code 4mff). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Structure of Human Dna Polymerase Beta Complexed with O6MG in the Template Base Paired with Incoming Non-Hydrolyzable Ttp, PDB code: 4mff:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in 4mff

Go back to Sodium Binding Sites List in 4mff
Sodium binding site 1 out of 2 in the Structure of Human Dna Polymerase Beta Complexed with O6MG in the Template Base Paired with Incoming Non-Hydrolyzable Ttp


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Structure of Human Dna Polymerase Beta Complexed with O6MG in the Template Base Paired with Incoming Non-Hydrolyzable Ttp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na403

b:12.0
occ:1.00
O A:ILE106 2.0 8.8 1.0
O A:THR101 2.3 10.5 1.0
O A:VAL103 2.3 8.8 1.0
OP1 P:DG9 2.4 11.7 1.0
O P:HOH101 3.0 4.1 1.0
C A:ILE106 3.1 8.9 1.0
C A:VAL103 3.3 9.0 1.0
C A:THR101 3.3 10.3 1.0
P P:DG9 3.4 11.7 1.0
N A:ILE106 3.5 8.2 1.0
OP2 P:DG9 3.6 12.3 1.0
CA A:SER104 3.8 8.2 1.0
N A:GLY105 3.8 7.9 1.0
CA A:THR101 3.8 10.2 1.0
N A:SER104 3.8 8.7 1.0
CA A:ILE106 3.9 8.6 1.0
N A:VAL103 4.1 9.5 1.0
C A:SER104 4.1 7.9 1.0
N A:GLY107 4.1 9.1 1.0
C A:ARG102 4.3 10.0 1.0
CB A:ILE106 4.3 8.7 1.0
CA A:VAL103 4.3 9.1 1.0
O3' P:DC8 4.4 11.9 1.0
C A:GLY105 4.4 8.0 1.0
N A:ARG102 4.4 10.1 1.0
CB A:THR101 4.4 10.2 1.0
CA A:GLY107 4.4 9.6 1.0
CA A:GLY105 4.6 7.9 1.0
O A:ARG102 4.6 10.0 1.0
CA A:ARG102 4.6 9.9 1.0
O5' P:DG9 4.7 11.9 1.0
O A:LEU100 4.7 10.8 1.0

Sodium binding site 2 out of 2 in 4mff

Go back to Sodium Binding Sites List in 4mff
Sodium binding site 2 out of 2 in the Structure of Human Dna Polymerase Beta Complexed with O6MG in the Template Base Paired with Incoming Non-Hydrolyzable Ttp


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Structure of Human Dna Polymerase Beta Complexed with O6MG in the Template Base Paired with Incoming Non-Hydrolyzable Ttp within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Na101

b:16.5
occ:1.00
O A:LYS60 2.7 22.1 1.0
O A:VAL65 2.9 14.7 1.0
OP1 D:DC3 2.9 12.0 1.0
OP2 D:DC3 3.0 11.4 1.0
P D:DC3 3.4 11.0 1.0
NZ A:LYS60 3.8 21.6 1.0
C A:LYS60 3.9 20.6 1.0
C A:VAL65 3.9 13.8 1.0
O A:LEU62 4.0 21.4 1.0
CG A:LYS60 4.0 19.8 1.0
CA A:GLY66 4.3 13.6 1.0
N A:GLY66 4.5 13.3 1.0
CA A:LYS60 4.6 19.6 1.0
O5' D:DC3 4.6 11.2 1.0
O3' D:DT2 4.6 11.2 1.0
N A:VAL65 4.8 13.8 1.0
CB A:LYS60 4.8 19.5 1.0
N A:LYS61 4.9 21.0 1.0
CE A:LYS60 5.0 20.0 1.0
C A:LEU62 5.0 19.5 1.0
C A:LYS61 5.0 21.8 1.0
CA A:VAL65 5.0 13.5 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: Tue Dec 15 06:54:13 2020

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