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Chlorine in PDB 6g2q: Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with Chcl (S-Isomer), Beta, Gamma Dttp Analogue

Enzymatic activity of Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with Chcl (S-Isomer), Beta, Gamma Dttp Analogue

All present enzymatic activity of Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with Chcl (S-Isomer), 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 Chcl (S-Isomer), Beta, Gamma Dttp Analogue, PDB code: 6g2q 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) 22.63 / 2.15
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 48.397, 76.851, 54.544, 90.00, 103.81, 90.00
R / Rfree (%) 19.6 / 26

Other elements in 6g2q:

The structure of Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with Chcl (S-Isomer), Beta, Gamma Dttp Analogue also contains other interesting chemical elements:

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 Chcl (S-Isomer), Beta, Gamma Dttp Analogue (pdb code 6g2q). 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 Chcl (S-Isomer), Beta, Gamma Dttp Analogue, PDB code: 6g2q:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 6g2q

Go back to Chlorine Binding Sites List in 6g2q
Chlorine binding site 1 out of 2 in the Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with Chcl (S-Isomer), Beta, Gamma Dttp 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 Chcl (S-Isomer), Beta, Gamma Dttp Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:39.7
occ:0.62
CL1 A:EJH401 0.0 39.7 0.6
C3B A:EJH401 1.8 36.0 1.0
PB A:EJH401 2.9 34.3 1.0
PG A:EJH401 3.0 40.7 1.0
O3A A:EJH401 3.0 31.3 1.0
O A:HOH615 3.1 45.2 1.0
O2G A:EJH401 3.2 47.0 1.0
O1G A:EJH401 3.5 35.7 1.0
O2B A:EJH401 3.6 33.5 1.0
O A:HOH546 3.6 32.4 1.0
O2A A:EJH401 4.1 34.1 1.0
O1B A:EJH401 4.2 33.4 1.0
PA A:EJH401 4.2 29.7 1.0
O3G A:EJH401 4.2 39.9 1.0
O1A A:EJH401 4.8 33.3 1.0
O A:HOH541 4.9 34.9 1.0

Chlorine binding site 2 out of 2 in 6g2q

Go back to Chlorine Binding Sites List in 6g2q
Chlorine binding site 2 out of 2 in the Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with Chcl (S-Isomer), Beta, Gamma Dttp 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 Chcl (S-Isomer), Beta, Gamma Dttp Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl403

b:36.0
occ:1.00
N A:HIS34 3.2 34.1 1.0
CB A:HIS34 3.4 34.7 1.0
N A:LYS35 3.4 31.3 1.0
C A:ALA32 3.5 32.8 1.0
CA A:ALA32 3.6 35.3 1.0
CB A:ALA32 3.6 32.7 1.0
CA A:HIS34 3.7 33.1 1.0
N A:ILE33 3.7 30.4 1.0
CD2 A:HIS34 3.7 33.2 1.0
CG A:HIS34 3.8 35.4 1.0
O A:ALA32 3.9 30.9 1.0
C A:HIS34 4.0 33.0 1.0
CG A:LYS35 4.0 34.9 1.0
C A:ILE33 4.3 35.3 1.0
CB A:LYS35 4.4 27.6 1.0
CA A:LYS35 4.5 33.5 1.0
O6 D:DG1 4.5 27.6 1.0
CA A:ILE33 4.6 33.2 1.0
CD A:LYS35 4.7 39.2 1.0
C6 D:DG1 4.8 31.2 1.0
NE2 A:HIS34 5.0 35.2 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: Sat Jul 27 23:40:37 2024

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