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Sodium in PDB 6ctj: Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with CHCH3, Beta, Gamma Dttp Analogue

Enzymatic activity of Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with CHCH3, Beta, Gamma Dttp Analogue

All present enzymatic activity of Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with CHCH3, Beta, Gamma Dttp Analogue:
2.7.7.7;

Protein crystallography data

The structure of Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with CHCH3, Beta, Gamma Dttp Analogue, PDB code: 6ctj was solved by V.K.Batra, S.H.Wilson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 23.12 / 2.10
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 48.469, 76.947, 55.014, 90.00, 103.88, 90.00
R / Rfree (%) 19.1 / 25.7

Other elements in 6ctj:

The structure of Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with CHCH3, Beta, Gamma Dttp Analogue also contains other interesting chemical elements:

Magnesium (Mg) 1 atom
Chlorine (Cl) 3 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with CHCH3, Beta, Gamma Dttp Analogue (pdb code 6ctj). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with CHCH3, Beta, Gamma Dttp Analogue, PDB code: 6ctj:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in 6ctj

Go back to Sodium Binding Sites List in 6ctj
Sodium binding site 1 out of 2 in the Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with CHCH3, Beta, Gamma Dttp Analogue


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with CHCH3, Beta, Gamma Dttp Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
P:Na101

b:34.5
occ:1.00
O A:HOH633 2.2 53.0 1.0
OP1 P:DG9 2.5 23.5 1.0
O A:THR101 2.7 24.6 1.0
O P:HOH202 2.7 31.2 1.0
O P:HOH211 2.9 38.8 1.0
O A:VAL103 2.9 25.9 1.0
O A:ILE106 3.5 25.0 1.0
P P:DG9 3.5 26.8 1.0
C A:VAL103 3.5 28.2 1.0
O A:HOH642 3.6 41.4 1.0
OP2 P:DG9 3.6 30.1 1.0
CA A:SER104 3.7 23.2 1.0
C A:THR101 3.8 25.2 1.0
N A:SER104 3.8 20.8 1.0
N A:GLY105 4.1 21.6 1.0
C A:ARG102 4.1 26.3 1.0
N A:VAL103 4.3 24.9 1.0
O A:ARG102 4.3 30.1 1.0
N A:ILE106 4.3 20.9 1.0
C A:SER104 4.3 23.1 1.0
C A:ILE106 4.4 21.6 1.0
CA A:ARG102 4.5 26.9 1.0
CA A:VAL103 4.5 24.3 1.0
N A:ARG102 4.6 25.8 1.0
O3' P:DC8 4.6 22.7 1.0
O5' P:DG9 4.6 26.0 1.0
CA A:THR101 4.6 24.5 1.0
CA A:ILE106 4.8 22.1 1.0
CB A:SER104 4.9 23.2 1.0

Sodium binding site 2 out of 2 in 6ctj

Go back to Sodium Binding Sites List in 6ctj
Sodium binding site 2 out of 2 in the Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with CHCH3, Beta, Gamma Dttp Analogue


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with CHCH3, Beta, Gamma Dttp Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na406

b:56.2
occ:1.00
O A:LYS60 2.8 47.2 1.0
O A:VAL65 3.1 35.0 1.0
OP2 D:DC3 3.5 37.2 1.0
O A:LEU62 3.6 42.0 1.0
OP1 D:DC3 3.7 52.0 1.0
C A:LYS60 4.0 46.9 1.0
P D:DC3 4.1 45.8 1.0
C A:VAL65 4.2 37.6 1.0
C A:LEU62 4.5 40.1 1.0
CG A:LYS60 4.7 42.3 1.0
C A:LYS61 4.8 46.4 1.0
N A:VAL65 4.9 34.6 1.0
CA A:LYS60 4.9 37.0 1.0
CA A:LYS61 4.9 46.5 1.0
N A:LYS61 4.9 39.9 1.0
O A:LYS61 4.9 43.5 1.0
CA A:PRO63 5.0 45.6 1.0

Reference:

V.K.Batra, K.Oertell, W.A.Beard, B.A.Kashemirov, C.E.Mckenna, M.F.Goodman, S.H.Wilson. Mapping Functional Substrate-Enzyme Interactions in the Pol Beta Active Site Through Chemical Biology: Structural Responses to Acidity Modification of Incoming Dntps. Biochemistry V. 57 3934 2018.
ISSN: ISSN 1520-4995
PubMed: 29874056
DOI: 10.1021/ACS.BIOCHEM.8B00418
Page generated: Tue Oct 8 06:43:22 2024

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