Chlorine in PDB 1y2f: Crystal Structure of Zipa with An Inhibitor

The structure of Crystal Structure of Zipa with An Inhibitor, PDB code: 1y2f was solved by L.Mosyak, T.S.Rush, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.41 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	44.973, 50.614, 84.399, 90.00, 90.00, 90.00
R / Rfree (%)	22.5 / 22.8

The binding sites of Chlorine atom in the Crystal Structure of Zipa with An Inhibitor (pdb code 1y2f). 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 Crystal Structure of Zipa with An Inhibitor, PDB code: 1y2f:

Chlorine binding site 1 out of 1 in the Crystal Structure of Zipa with An Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Zipa with An Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl300 b:1.9 occ:1.00 CL24 A:WAI300 0.0 1.9 1.0 C16 A:WAI300 1.7 9.0 1.0 C15 A:WAI300 2.7 10.2 1.0 C17 A:WAI300 2.7 10.0 1.0 SD A:MET42 3.1 24.2 1.0 C20 A:WAI300 3.1 11.4 1.0 C35 A:WAI300 3.2 23.4 1.0 CD1 A:ILE44 3.6 11.6 1.0 CE A:MET42 3.9 22.3 1.0 C36 A:WAI300 4.0 26.0 1.0 C14 A:WAI300 4.0 11.7 1.0 CB A:MET42 4.0 14.5 1.0 C18 A:WAI300 4.0 12.5 1.0 CG A:MET42 4.2 20.3 1.0 O A:HOH389 4.2 41.4 1.0 CZ A:PHE85 4.4 6.7 1.0 N34 A:WAI300 4.5 20.7 1.0 CG1 A:ILE44 4.5 6.7 1.0 CG2 A:ILE44 4.5 12.8 1.0 C19 A:WAI300 4.5 12.7 1.0 C2 A:WAI300 4.6 14.3 1.0

T.S.Rush, J.A.Grant, L.Mosyak, A.Nicholls. A Shape-Based 3-D Scaffold Hopping Method and Its Application to A Bacterial Protein-Protein Interaction J.Med.Chem. V. 48 1489 2005.
ISSN: ISSN 0022-2623
PubMed: 15743191
DOI: 10.1021/JM040163O