Chlorine in PDB 6ctr: Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with Chf (R & S Isomers), Beta, Gamma Dctp Analogue

Enzymatic activity of Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with Chf (R & S Isomers), Beta, Gamma Dctp Analogue

All present enzymatic activity of Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with Chf (R & S Isomers), Beta, Gamma Dctp 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 Chf (R & S Isomers), Beta, Gamma Dctp Analogue, PDB code: 6ctr 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)*	23.74 / 1.85
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	50.810, 79.712, 55.437, 90.00, 107.72, 90.00
*R / R_free (%)*	17.2 / 22.2

Other elements in 6ctr:

The structure of Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with Chf (R & S Isomers), Beta, Gamma Dctp Analogue also contains other interesting chemical elements:

Fluorine	(F)	2 atoms
Magnesium	(Mg)	2 atoms
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 Chf (R & S Isomers), Beta, Gamma Dctp Analogue (pdb code 6ctr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with Chf (R & S Isomers), Beta, Gamma Dctp Analogue, PDB code: 6ctr:

Chlorine binding site 1 out of 1 in 6ctr

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Chlorine Binding Sites List in 6ctr

Chlorine binding site 1 out of 1 in the Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with Chf (R & S Isomers), Beta, Gamma Dctp 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 Chf (R & S Isomers), Beta, Gamma Dctp Analogue within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl403 b:35.2 occ:1.00	OG1	A:THR297	3.1	23.7	1.0
	O	A:HOH776	3.2	36.5	1.0
	ND2	A:ASN294	3.4	25.2	1.0
	O	A:HOH868	3.7	43.9	1.0
	CG2	A:THR297	3.9	18.2	1.0
	NE	A:ARG299	3.9	34.9	1.0
	OD1	A:ASN294	4.0	21.2	1.0
	CB	A:TYR296	4.0	23.9	1.0
	CB	A:THR297	4.1	23.7	1.0
	NH2	A:ARG299	4.1	34.2	1.0
	CZ	A:ARG299	4.1	41.5	1.0
	CG	A:ASN294	4.1	22.5	1.0
	CD2	A:TYR296	4.2	22.8	1.0
	CG	A:TYR296	4.5	22.9	1.0
	CD	A:ARG299	4.6	29.5	1.0
	N	A:THR297	4.7	21.6	1.0
	O	A:HOH673	4.8	25.2	1.0
	NH1	A:ARG299	4.8	44.3	1.0
	O	T:HOH209	4.9	39.2	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: Fri Jul 26 23:44:59 2024

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