Chlorine in PDB 4gee: 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: 4gee was solved by D.C.Bensen, Z.Chen, L.W.Tari, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	34.19 / 1.70
*Space group*	P 2₁ 2₁ 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	54.930, 58.080, 66.250, 90.00, 90.00, 90.00
*R / R_free (%)*	17.1 / 21.5

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 4gee). 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: 4gee:

Chlorine binding site 1 out of 1 in 4gee

Go back to

Chlorine Binding Sites List in 4gee

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:16.9 occ:1.00	CL1	A:0WT301	0.0	16.9	1.0
	C4	A:0WT301	1.8	16.0	1.0
	C5	A:0WT301	2.9	15.6	1.0
	C3	A:0WT301	3.0	16.0	1.0
	C14	A:0WT301	3.1	19.0	1.0
	OG	A:SER122	3.3	17.6	1.0
	C10	A:0WT301	3.3	15.3	1.0
	CB	A:ASN48	3.5	16.3	1.0
	ND2	A:ASN48	3.7	18.1	1.0
	CG	A:ASN48	3.8	17.5	1.0
	C6	A:0WT301	3.8	17.0	1.0
	N13	A:0WT301	3.9	18.0	1.0
	CD1	A:ILE80	4.0	14.9	1.0
	N1	A:0WT301	4.0	15.6	1.0
	C2	A:0WT301	4.1	15.9	1.0
	CZ	A:PHE97	4.4	15.1	1.0
	C15	A:0WT301	4.5	19.9	1.0
	CB	A:SER122	4.5	16.9	1.0
	OD1	A:ASN48	4.6	19.4	1.0
	CG2	A:VAL169	4.6	11.0	1.0
	CG1	A:ILE80	4.7	14.7	1.0
	C11	A:0WT301	4.7	14.6	1.0
	CG1	A:VAL96	4.8	15.3	1.0
	O	A:ILE45	4.8	13.4	1.0
	CE1	A:PHE97	4.8	15.3	1.0
	CG2	A:ILE45	5.0	13.2	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 14:33:31 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF

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