Chlorine in PDB 4rt2: Ternary Complex Crystal Structure of Dna Polymerase Beta with (Alpha, Beta)-CH2-(Beta,Gamma)-Nh-Dttp

Enzymatic activity of Ternary Complex Crystal Structure of Dna Polymerase Beta with (Alpha, Beta)-CH2-(Beta,Gamma)-Nh-Dttp

All present enzymatic activity of Ternary Complex Crystal Structure of Dna Polymerase Beta with (Alpha, Beta)-CH2-(Beta,Gamma)-Nh-Dttp:
2.7.7.7;

Protein crystallography data

The structure of Ternary Complex Crystal Structure of Dna Polymerase Beta with (Alpha, Beta)-CH2-(Beta,Gamma)-Nh-Dttp, PDB code: 4rt2 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)*	21.24 / 1.92
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	50.587, 79.409, 55.315, 90.00, 107.27, 90.00
*R / R_free (%)*	17.6 / 21.1

Other elements in 4rt2:

The structure of Ternary Complex Crystal Structure of Dna Polymerase Beta with (Alpha, Beta)-CH2-(Beta,Gamma)-Nh-Dttp 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 (Alpha, Beta)-CH2-(Beta,Gamma)-Nh-Dttp (pdb code 4rt2). 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 (Alpha, Beta)-CH2-(Beta,Gamma)-Nh-Dttp, PDB code: 4rt2:

Chlorine binding site 1 out of 1 in 4rt2

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Chlorine Binding Sites List in 4rt2

Chlorine binding site 1 out of 1 in the Ternary Complex Crystal Structure of Dna Polymerase Beta with (Alpha, Beta)-CH2-(Beta,Gamma)-Nh-Dttp

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 (Alpha, Beta)-CH2-(Beta,Gamma)-Nh-Dttp within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl405 b:34.9 occ:1.00	N	A:HIS34	3.3	26.4	1.0
	CB	A:ALA32	3.4	27.5	1.0
	C	A:ALA32	3.4	26.3	1.0
	CA	A:ALA32	3.5	28.2	1.0
	CB	A:HIS34	3.6	29.9	1.0
	N	A:ILE33	3.6	25.8	1.0
	N	A:LYS35	3.7	24.9	1.0
	ND1	A:HIS34	3.8	35.8	1.0
	O	A:ALA32	3.8	26.4	1.0
	CA	A:HIS34	3.8	26.1	1.0
	CG	A:HIS34	4.1	31.7	1.0
	CG	A:LYS35	4.1	30.1	1.0
	C	A:HIS34	4.2	25.5	1.0
	C	A:ILE33	4.3	25.3	1.0
	CA	A:ILE33	4.5	27.4	1.0
	O	A:HOH569	4.6	33.5	1.0
	CB	A:LYS35	4.6	25.9	1.0
	CA	A:LYS35	4.7	23.1	1.0
	O6	D:DG1	4.9	26.9	1.0
	N	A:ALA32	4.9	23.3	1.0
	CE1	A:HIS34	5.0	34.4	1.0

Reference:

A.P.Kadina, B.A.Kashemirov, K.Oertell, V.K.Batra, S.H.Wilson, M.F.Goodman, C.E.Mckenna. Two Scaffolds From Two Flips: (Alpha, Beta)/(Beta, Gamma) CH2/Nh "Met-Im" Analogues of Dttp. Org.Lett. V. 17 2586 2015.
ISSN: ISSN 1523-7060
PubMed: 25970636
DOI: 10.1021/ACS.ORGLETT.5B00799

Page generated: Fri Jul 26 01:34:49 2024

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