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Chlorine in PDB 6cr9: Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with Cfcl, Beta, Gamma Datp Analogue

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

All present enzymatic activity of Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with Cfcl, Beta, Gamma Datp 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 Cfcl, Beta, Gamma Datp Analogue, PDB code: 6cr9 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) 23.89 / 1.96
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 50.748, 79.466, 55.651, 90.00, 107.61, 90.00
R / Rfree (%) 18 / 22.4

Other elements in 6cr9:

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

Fluorine (F) 1 atom
Magnesium (Mg) 1 atom
Sodium (Na) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with Cfcl, Beta, Gamma Datp Analogue (pdb code 6cr9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with Cfcl, Beta, Gamma Datp Analogue, PDB code: 6cr9:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 6cr9

Go back to Chlorine Binding Sites List in 6cr9
Chlorine binding site 1 out of 2 in the Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with Cfcl, Beta, Gamma Datp Analogue


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with Cfcl, Beta, Gamma Datp Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:25.9
occ:1.00
CL1 A:VA5401 0.0 25.9 1.0
C3B A:VA5401 1.7 20.6 1.0
F3B A:VA5401 2.5 20.7 1.0
PG A:VA5401 2.9 25.2 1.0
PB A:VA5401 2.9 21.4 1.0
O3A A:VA5401 2.9 21.7 1.0
O2G A:VA5401 3.1 26.7 1.0
O A:HOH778 3.4 26.5 1.0
O1G A:VA5401 3.4 20.4 1.0
O A:HOH860 3.4 33.8 1.0
O A:HOH503 3.4 41.8 1.0
O A:HOH622 3.6 22.5 1.0
O2B A:VA5401 3.7 19.8 1.0
O A:HOH812 3.7 26.6 1.0
PA A:VA5401 3.9 22.4 1.0
O2A A:VA5401 4.0 17.8 1.0
O1B A:VA5401 4.1 18.2 1.0
O3G A:VA5401 4.2 25.3 1.0
O A:HOH536 4.3 33.0 1.0
O A:HOH661 4.3 38.1 1.0
O1A A:VA5401 4.3 21.8 1.0
MG A:MG402 4.8 18.4 1.0

Chlorine binding site 2 out of 2 in 6cr9

Go back to Chlorine Binding Sites List in 6cr9
Chlorine binding site 2 out of 2 in the Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with Cfcl, Beta, Gamma Datp Analogue


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with Cfcl, Beta, Gamma Datp Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl406

b:35.3
occ:1.00
O D:HOH102 2.9 37.8 1.0
N A:HIS34 3.3 24.1 1.0
C A:ALA32 3.5 28.1 1.0
CB A:HIS34 3.5 30.9 1.0
N A:LYS35 3.5 25.4 1.0
CB A:ALA32 3.6 26.8 1.0
CA A:ALA32 3.6 29.5 1.0
N A:ILE33 3.8 24.0 1.0
CA A:HIS34 3.8 28.0 1.0
O A:ALA32 3.8 26.4 1.0
CG A:LYS35 4.1 26.0 1.0
CG A:HIS34 4.1 32.9 1.0
CD2 A:HIS34 4.1 37.2 1.0
C A:HIS34 4.1 27.3 1.0
C A:ILE33 4.3 25.6 1.0
CB A:LYS35 4.5 24.0 1.0
O A:HOH539 4.5 30.3 1.0
CA A:LYS35 4.6 24.2 1.0
CA A:ILE33 4.7 28.9 1.0
O6 D:DG1 4.8 28.9 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: Fri Jul 26 23:41:41 2024

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