Chlorine in PDB 4hxw: Pyrrolopyrimidine Inhibitors of Dna Gyrase B and Topoisomerase IV, Part I: Structure Guided Discovery and Optimization of Dual Targeting Agents with Potent, Broad-Spectrum Enzymatic Activity.

Enzymatic activity of Pyrrolopyrimidine Inhibitors of Dna Gyrase B and Topoisomerase IV, Part I: Structure Guided Discovery and Optimization of Dual Targeting Agents with Potent, Broad-Spectrum Enzymatic Activity.

All present enzymatic activity of Pyrrolopyrimidine Inhibitors of Dna Gyrase B and Topoisomerase IV, Part I: Structure Guided Discovery and Optimization of Dual Targeting Agents with Potent, Broad-Spectrum Enzymatic Activity.:
5.99.1.3;

Protein crystallography data

The structure of Pyrrolopyrimidine Inhibitors of Dna Gyrase B and Topoisomerase IV, Part I: Structure Guided Discovery and Optimization of Dual Targeting Agents with Potent, Broad-Spectrum Enzymatic Activity., PDB code: 4hxw was solved by D.C.Bensen, M.Trzoss, L.W.Tari, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	23.26 / 1.69
*Space group*	P 2₁ 2₁ 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	54.833, 58.757, 66.136, 90.00, 90.00, 90.00
*R / R_free (%)*	17 / 20

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Pyrrolopyrimidine Inhibitors of Dna Gyrase B and Topoisomerase IV, Part I: Structure Guided Discovery and Optimization of Dual Targeting Agents with Potent, Broad-Spectrum Enzymatic Activity. (pdb code 4hxw). 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 Pyrrolopyrimidine Inhibitors of Dna Gyrase B and Topoisomerase IV, Part I: Structure Guided Discovery and Optimization of Dual Targeting Agents with Potent, Broad-Spectrum Enzymatic Activity., PDB code: 4hxw:

Chlorine binding site 1 out of 1 in 4hxw

Go back to

Chlorine Binding Sites List in 4hxw

Chlorine binding site 1 out of 1 in the Pyrrolopyrimidine Inhibitors of Dna Gyrase B and Topoisomerase IV, Part I: Structure Guided Discovery and Optimization of Dual Targeting Agents with Potent, Broad-Spectrum Enzymatic Activity.

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Pyrrolopyrimidine Inhibitors of Dna Gyrase B and Topoisomerase IV, Part I: Structure Guided Discovery and Optimization of Dual Targeting Agents with Potent, Broad-Spectrum Enzymatic Activity. within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl301 b:19.3 occ:1.00	CL1	A:1A0301	0.0	19.3	1.0
	C4	A:1A0301	1.8	18.1	1.0
	C5	A:1A0301	2.9	17.9	1.0
	C3	A:1A0301	2.9	18.5	1.0
	C17	A:1A0301	3.1	21.2	1.0
	OG	A:SER129	3.2	21.9	1.0
	C6	A:1A0301	3.4	17.6	1.0
	CB	A:ASN55	3.4	18.1	1.0
	CG	A:ASN55	3.6	20.1	1.0
	C8	A:1A0301	3.8	19.3	1.0
	N13	A:1A0301	3.8	20.3	1.0
	ND2	A:ASN55	3.9	21.7	1.0
	N1	A:1A0301	4.0	17.4	1.0
	OD1	A:ASN55	4.0	22.0	1.0
	C2	A:1A0301	4.0	17.7	1.0
	CD1	A:ILE87	4.1	19.1	1.0
	CB	A:SER129	4.4	20.3	1.0
	CZ	A:PHE104	4.4	17.3	1.0
	C16	A:1A0301	4.4	22.8	1.0
	CG1	A:VAL103	4.5	19.5	1.0
	C7	A:1A0301	4.7	16.9	1.0
	O	A:HOH425	4.7	21.0	1.0
	CG1	A:ILE87	4.7	18.4	1.0
	CA	A:ASN55	4.8	17.2	1.0
	CE1	A:PHE104	4.9	17.8	1.0
	N18	A:1A0301	4.9	25.1	1.0
	CG2	A:VAL176	4.9	14.7	1.0
	O	A:ILE52	5.0	17.1	1.0

Reference:

L.W.Tari, M.Trzoss, D.C.Bensen, X.Li, Z.Chen, T.Lam, J.Zhang, C.J.Creighton, M.L.Cunningham, B.Kwan, M.Stidham, K.J.Shaw, F.C.Lightstone, S.E.Wong, T.B.Nguyen, J.Nix, J.Finn. Pyrrolopyrimidine Inhibitors of Dna Gyrase B (Gyrb) and Topoisomerase IV (Pare). Part I: Structure Guided Discovery and Optimization of Dual Targeting Agents with Potent, Broad-Spectrum Enzymatic Activity. Bioorg.Med.Chem.Lett. V. 23 1529 2013.
ISSN: ISSN 0960-894X
PubMed: 23352267
DOI: 10.1016/J.BMCL.2012.11.032

Page generated: Sun Jul 21 16:13:39 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1

	© Copyright 2008-2020 by atomistry.com
Home \| Site Map \| Copyright \| Contact us \| Privacy