Sodium in PDB 8icw: Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed with Seven Base Pairs of Dna; Soaked in the Presence of Dttp (1 Millimolar) and MNCL2 (5 Millimolar)

Protein crystallography data

The structure of Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed with Seven Base Pairs of Dna; Soaked in the Presence of Dttp (1 Millimolar) and MNCL2 (5 Millimolar), PDB code: 8icw was solved by H.Pelletier, M.R.Sawaya, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 3.30
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 180.049, 57.720, 48.268, 90.00, 90.00, 90.00
R / Rfree (%) 16.4 / n/a

Other elements in 8icw:

The structure of Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed with Seven Base Pairs of Dna; Soaked in the Presence of Dttp (1 Millimolar) and MNCL2 (5 Millimolar) also contains other interesting chemical elements:

Manganese (Mn) 1 atom

Sodium Binding Sites:

The binding sites of Sodium atom in the Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed with Seven Base Pairs of Dna; Soaked in the Presence of Dttp (1 Millimolar) and MNCL2 (5 Millimolar) (pdb code 8icw). 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 (Pol B) (E.C.2.7.7.7) Complexed with Seven Base Pairs of Dna; Soaked in the Presence of Dttp (1 Millimolar) and MNCL2 (5 Millimolar), PDB code: 8icw:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in 8icw

Go back to Sodium Binding Sites List in 8icw
Sodium binding site 1 out of 2 in the Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed with Seven Base Pairs of Dna; Soaked in the Presence of Dttp (1 Millimolar) and MNCL2 (5 Millimolar)


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 (Pol B) (E.C.2.7.7.7) Complexed with Seven Base Pairs of Dna; Soaked in the Presence of Dttp (1 Millimolar) and MNCL2 (5 Millimolar) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na341

b:6.3
occ:1.00
OP1 P:DT6 2.1 6.9 1.0
O A:VAL103 2.2 14.3 1.0
O P:HOH601 2.4 30.6 1.0
O A:THR101 2.4 15.8 1.0
O A:ILE106 3.0 2.4 1.0
C A:VAL103 3.2 15.3 1.0
N A:ILE106 3.3 1.0 1.0
P P:DT6 3.4 13.6 1.0
C A:THR101 3.6 12.6 1.0
N A:GLY105 3.6 25.4 1.0
C A:ILE106 3.7 1.7 1.0
CA A:SER104 3.8 18.1 1.0
C A:ARG102 3.8 24.2 1.0
CA A:ILE106 3.8 1.0 1.0
O A:ARG102 3.8 29.8 1.0
N A:SER104 3.9 14.1 1.0
N A:VAL103 3.9 24.6 1.0
OP2 P:DT6 4.0 11.7 1.0
C A:SER104 4.0 20.2 1.0
CB A:ILE106 4.1 1.0 1.0
CA A:VAL103 4.2 17.6 1.0
C A:GLY105 4.3 3.3 1.0
O3' P:DA5 4.3 15.9 1.0
CA A:ARG102 4.3 18.9 1.0
N A:ARG102 4.4 13.2 1.0
O5' P:DT6 4.5 15.1 1.0
CA A:GLY105 4.5 17.4 1.0
CA A:THR101 4.6 11.5 1.0
N A:GLY107 4.8 3.5 1.0
CG2 A:ILE106 4.9 1.0 1.0
O A:SER104 5.0 17.2 1.0
O A:LEU100 5.0 4.1 1.0

Sodium binding site 2 out of 2 in 8icw

Go back to Sodium Binding Sites List in 8icw
Sodium binding site 2 out of 2 in the Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed with Seven Base Pairs of Dna; Soaked in the Presence of Dttp (1 Millimolar) and MNCL2 (5 Millimolar)


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 (Pol B) (E.C.2.7.7.7) Complexed with Seven Base Pairs of Dna; Soaked in the Presence of Dttp (1 Millimolar) and MNCL2 (5 Millimolar) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na342

b:37.4
occ:1.00
O A:LEU62 2.5 33.7 1.0
O A:LYS60 2.6 34.3 1.0
C A:LEU62 3.0 31.8 1.0
O A:VAL65 3.3 10.5 1.0
C A:LYS61 3.4 24.0 1.0
N A:LEU62 3.5 17.9 1.0
O A:LYS61 3.5 22.2 1.0
CA A:LEU62 3.7 24.9 1.0
N A:PRO63 3.7 34.7 1.0
C A:LYS60 3.8 33.1 1.0
CA A:PRO63 4.1 35.2 1.0
CA A:LYS61 4.1 32.3 1.0
C A:VAL65 4.2 18.3 1.0
N A:LYS61 4.4 30.6 1.0
N A:VAL65 4.5 28.5 1.0
CG2 A:VAL65 4.5 23.4 1.0
CA A:VAL65 4.7 22.3 1.0
C A:PRO63 4.7 38.2 1.0
N A:GLY64 4.7 41.3 1.0
CA A:LYS60 4.9 32.0 1.0
CD A:PRO63 5.0 41.6 1.0

Reference:

H.Pelletier, M.R.Sawaya, W.Wolfle, S.H.Wilson, J.Kraut. A Structural Basis For Metal Ion Mutagenicity and Nucleotide Selectivity in Human Dna Polymerase Beta Biochemistry V. 35 12762 1996.
ISSN: ISSN 0006-2960
PubMed: 8841119
DOI: 10.1021/BI9529566
Page generated: Tue Dec 15 18:33:07 2020

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