Chlorine in PDB 4ykw: Heat Shock Protein 90 Bound to CS312

The structure of Heat Shock Protein 90 Bound to CS312, PDB code: 4ykw was solved by Y.N.Kang, J.A.Stuckey, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.71 / 1.85
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	43.928, 51.853, 56.703, 68.43, 86.65, 71.50
R / Rfree (%)	19.6 / 22.9

The binding sites of Chlorine atom in the Heat Shock Protein 90 Bound to CS312 (pdb code 4ykw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Heat Shock Protein 90 Bound to CS312, PDB code: 4ykw:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Heat Shock Protein 90 Bound to CS312


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Heat Shock Protein 90 Bound to CS312 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:22.2 occ:1.00 CL A:4ES301 0.0 22.2 1.0 C11 A:4ES301 1.7 20.5 1.0 C10 A:4ES301 2.7 24.6 1.0 C6 A:4ES301 2.7 21.9 1.0 H9 A:4ES301 2.8 24.7 0.0 C4 A:4ES301 3.1 18.4 1.0 N1 A:4ES301 3.1 18.1 1.0 O A:HOH478 3.4 18.9 1.0 CD1 A:PHE138 3.7 19.2 1.0 CE A:MET98 3.8 18.9 1.0 CE1 A:PHE138 3.9 19.6 1.0 CD2 A:LEU107 3.9 24.2 1.0 CD1 A:LEU107 4.0 25.9 1.0 C9 A:4ES301 4.0 26.7 1.0 C7 A:4ES301 4.0 25.4 1.0 C3 A:4ES301 4.1 17.9 1.0 C5 A:4ES301 4.1 18.4 1.0 CG1 A:VAL150 4.2 17.9 1.0 CG A:LEU107 4.3 25.4 1.0 CG2 A:VAL186 4.4 16.7 1.0 CG A:PHE138 4.4 17.3 1.0 CG2 A:VAL150 4.5 17.9 1.0 CG2 A:THR184 4.5 15.6 1.0 C8 A:4ES301 4.5 27.4 1.0 H4 A:4ES301 4.6 17.9 0.0 H6 A:4ES301 4.6 16.6 0.0 CZ A:PHE138 4.7 19.7 1.0 N2 A:4ES301 4.7 16.6 1.0 H7 A:4ES301 4.9 25.6 0.0 SD A:MET98 4.9 21.9 1.0 C2 A:4ES301 5.0 17.6 1.0 CB A:PHE138 5.0 17.3 1.0 N3 A:4ES301 5.0 17.3 1.0 CB A:VAL150 5.0 18.3 1.0

Chlorine binding site 2 out of 2 in the Heat Shock Protein 90 Bound to CS312


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Heat Shock Protein 90 Bound to CS312 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:32.3 occ:1.00 CL B:4ES301 0.0 32.3 1.0 C11 B:4ES301 1.7 31.8 1.0 C10 B:4ES301 2.7 34.2 1.0 C6 B:4ES301 2.7 32.5 1.0 H9 B:4ES301 2.8 34.3 0.0 C4 B:4ES301 3.1 29.9 1.0 N1 B:4ES301 3.2 28.0 1.0 O B:HOH454 3.3 24.7 1.0 CD1 B:PHE138 3.8 25.4 1.0 CE B:MET98 3.9 29.6 1.0 CE1 B:PHE138 3.9 25.2 1.0 CD1 B:LEU107 4.0 39.7 1.0 C9 B:4ES301 4.0 38.1 1.0 C7 B:4ES301 4.0 34.4 1.0 CD2 B:LEU107 4.0 40.6 1.0 C3 B:4ES301 4.1 28.9 1.0 C5 B:4ES301 4.2 26.7 1.0 CG1 B:VAL150 4.2 21.3 1.0 CG B:LEU107 4.3 38.4 1.0 CG2 B:VAL150 4.4 20.4 1.0 CG2 B:VAL186 4.4 17.9 1.0 CG B:PHE138 4.4 23.8 1.0 C8 B:4ES301 4.5 35.4 1.0 H4 B:4ES301 4.6 29.2 0.0 CG2 B:THR184 4.6 20.4 1.0 CZ B:PHE138 4.7 24.0 1.0 H6 B:4ES301 4.7 23.4 0.0 SD B:MET98 4.8 34.0 1.0 N2 B:4ES301 4.8 23.4 1.0 H7 B:4ES301 4.9 34.3 0.0 CB B:VAL150 5.0 20.3 1.0 C2 B:4ES301 5.0 29.7 1.0

Y.N.Kang, J.A.Stuckey. Structure of Heat Shock Protein 90 Bound to CS312 To Be Published.