Chlorine in PDB 5lr1: Crystal Structure of HSP90 in Complex with A003498614A.

The structure of Crystal Structure of HSP90 in Complex with A003498614A., PDB code: 5lr1 was solved by F.Vallee, A.Dupuy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.76 / 1.44
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	66.540, 90.680, 98.230, 90.00, 90.00, 90.00
R / Rfree (%)	19.9 / 22

The binding sites of Chlorine atom in the Crystal Structure of HSP90 in Complex with A003498614A. (pdb code 5lr1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of HSP90 in Complex with A003498614A., PDB code: 5lr1:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of HSP90 in Complex with A003498614A.


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 HSP90 in Complex with A003498614A. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl4000 b:11.3 occ:1.00 CL3 A:72Y4000 0.0 11.3 1.0 C1 A:72Y4000 1.7 9.2 1.0 N2 A:72Y4000 2.6 7.7 1.0 C8 A:72Y4000 2.7 8.1 1.0 O A:GLY97 3.3 10.2 1.0 C7 A:72Y4000 3.4 9.1 1.0 O A:HOH4179 3.5 8.7 1.0 CG2 A:ILE96 3.5 11.7 1.0 C A:GLY97 3.6 11.0 1.0 N A:GLY97 3.7 8.8 1.0 CB A:ALA55 3.7 8.1 1.0 O A:HOH4200 3.9 16.0 1.0 C4 A:72Y4000 3.9 8.2 1.0 CG A:MET98 3.9 9.9 1.0 C9 A:72Y4000 3.9 6.7 1.0 CA A:GLY97 4.0 8.3 1.0 N A:MET98 4.4 9.1 1.0 N5 A:72Y4000 4.5 7.6 1.0 OG1 A:THR184 4.5 9.4 1.0 C A:ILE96 4.6 9.8 1.0 C11 A:72Y4000 4.6 8.0 1.0 CA A:ALA55 4.6 8.0 1.0 SD A:MET98 4.7 10.2 1.0 CE A:MET98 4.8 12.7 1.0 CB A:ILE96 4.8 11.7 1.0 CA A:MET98 4.9 8.4 1.0 N6 A:72Y4000 4.9 9.3 1.0 N A:ILE96 4.9 8.7 1.0 N10 A:72Y4000 4.9 7.5 1.0 CB A:MET98 5.0 9.2 1.0 CA A:ILE96 5.0 9.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of HSP90 in Complex with A003498614A.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of HSP90 in Complex with A003498614A. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl4000 b:10.4 occ:1.00 CL1 A:72Y4000 0.0 10.4 1.0 C15 A:72Y4000 1.7 8.5 1.0 C16 A:72Y4000 2.7 9.6 1.0 C14 A:72Y4000 2.7 8.2 1.0 C20 A:72Y4000 3.0 10.7 1.0 C21 A:72Y4000 3.1 10.1 1.0 CD2 A:TRP162 3.7 7.8 1.0 CZ A:PHE138 3.8 8.8 1.0 CE2 A:TRP162 3.8 8.8 1.0 CG2 A:VAL150 3.9 10.3 1.0 C17 A:72Y4000 3.9 10.5 1.0 C13 A:72Y4000 4.0 8.0 1.0 CG A:TRP162 4.0 7.9 1.0 CD2 A:LEU103 4.0 13.0 1.0 CE2 A:PHE138 4.0 9.7 1.0 CE3 A:TRP162 4.0 8.8 1.0 NE1 A:TRP162 4.1 9.0 1.0 CD1 A:TRP162 4.2 9.4 1.0 CB A:VAL150 4.2 10.1 1.0 CE1 A:PHE138 4.2 8.7 1.0 CZ2 A:TRP162 4.3 8.7 1.0 CG1 A:VAL150 4.3 10.5 1.0 CZ3 A:TRP162 4.4 9.7 1.0 SD A:MET98 4.4 10.2 1.0 N18 A:72Y4000 4.5 9.2 1.0 CH2 A:TRP162 4.5 9.7 1.0 CB A:TRP162 4.6 8.6 1.0 CD2 A:PHE138 4.7 8.3 1.0 CE A:MET98 4.8 12.7 1.0 CD1 A:PHE138 4.9 8.3 1.0

F.Vallee, A.Dupuy. Crystal Structure of HSP90 in Complex with A003498614A. To Be Published.