Chlorine in PDB 6cjl: Candida Albicans HSP90 Nucleotide Binding Domain in Complex with Radicicol

The structure of Candida Albicans HSP90 Nucleotide Binding Domain in Complex with Radicicol, PDB code: 6cjl was solved by C.Nation, J.C.Pizarro, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.60 / 1.70
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	73.100, 73.100, 109.514, 90.00, 90.00, 90.00
R / Rfree (%)	14.5 / 16.5

The structure of Candida Albicans HSP90 Nucleotide Binding Domain in Complex with Radicicol also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Candida Albicans HSP90 Nucleotide Binding Domain in Complex with Radicicol (pdb code 6cjl). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Candida Albicans HSP90 Nucleotide Binding Domain in Complex with Radicicol, PDB code: 6cjl:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Candida Albicans HSP90 Nucleotide Binding Domain in Complex with Radicicol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Candida Albicans HSP90 Nucleotide Binding Domain in Complex with Radicicol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:16.1 occ:1.00 CL1 A:RDC301 0.0 16.1 1.0 C6 A:RDC301 1.8 14.1 1.0 HD22 A:ASN40 2.5 16.2 1.0 HD1 A:PHE127 2.7 17.1 1.0 C5 A:RDC301 2.8 13.5 1.0 C7 A:RDC301 2.8 14.5 1.0 O5 A:RDC301 3.0 25.4 1.0 C9 A:RDC301 3.0 18.2 1.0 O4 A:RDC301 3.0 15.5 1.0 HB2 A:PHE127 3.0 18.2 1.0 C8 A:RDC301 3.2 15.5 1.0 ND2 A:ASN40 3.2 13.5 1.0 CD1 A:PHE127 3.2 14.3 1.0 H82 A:RDC301 3.3 18.6 1.0 HD21 A:ASN40 3.5 16.2 1.0 HO4 A:RDC301 3.5 18.6 1.0 HD21 A:LEU96 3.5 23.9 1.0 HD21 A:LEU176 3.6 17.7 1.0 C10 A:RDC301 3.7 18.1 1.0 CG A:PHE127 3.8 14.6 1.0 CB A:PHE127 3.8 15.1 1.0 HD11 A:LEU176 3.9 16.7 1.0 HB3 A:ASN40 3.9 15.8 1.0 CE1 A:PHE127 4.0 14.7 1.0 C4 A:RDC301 4.1 13.7 1.0 HE1 A:PHE127 4.1 17.6 1.0 H10 A:RDC301 4.1 21.7 1.0 HA A:PHE127 4.2 16.6 1.0 C2 A:RDC301 4.2 14.1 1.0 CG A:ASN40 4.2 12.9 1.0 H81 A:RDC301 4.3 18.6 1.0 HD22 A:LEU37 4.3 15.9 1.0 CD2 A:LEU96 4.4 20.0 1.0 CB A:ASN40 4.4 13.1 1.0 HB2 A:ASN40 4.4 15.8 1.0 C11 A:RDC301 4.5 16.9 1.0 CD2 A:LEU176 4.5 14.8 1.0 HB3 A:PHE127 4.5 18.2 1.0 H11 A:RDC301 4.6 20.3 1.0 HD22 A:LEU96 4.6 23.9 1.0 CA A:PHE127 4.6 13.8 1.0 HD22 A:LEU176 4.6 17.7 1.0 C3 A:RDC301 4.6 13.0 1.0 HD23 A:LEU96 4.7 23.9 1.0 O A:HOH461 4.7 16.0 1.0 HD23 A:LEU37 4.7 15.9 1.0 CD1 A:LEU176 4.8 13.9 1.0 HE1 A:MET87 4.8 16.5 1.0 CD2 A:LEU37 4.9 13.2 1.0 HD11 A:LEU96 4.9 17.5 1.0 HD21 A:LEU37 4.9 15.9 1.0 H4 A:RDC301 4.9 16.5 1.0 CD2 A:PHE127 5.0 15.4 1.0

Chlorine binding site 2 out of 2 in the Candida Albicans HSP90 Nucleotide Binding Domain in Complex with Radicicol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Candida Albicans HSP90 Nucleotide Binding Domain in Complex with Radicicol within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:19.8 occ:1.00 CL1 B:RDC301 0.0 19.8 1.0 C6 B:RDC301 1.8 17.1 1.0 HD22 B:ASN40 2.7 19.1 1.0 HD1 B:PHE127 2.8 22.9 1.0 C5 B:RDC301 2.8 14.5 1.0 C7 B:RDC301 2.8 18.1 1.0 HB2 B:PHE127 2.9 23.7 1.0 O5 B:RDC301 3.0 25.5 1.0 C9 B:RDC301 3.0 20.2 1.0 O4 B:RDC301 3.0 15.6 1.0 C8 B:RDC301 3.2 20.1 1.0 CD1 B:PHE127 3.2 19.1 1.0 HO4 B:RDC301 3.3 18.7 1.0 H82 B:RDC301 3.3 24.1 1.0 ND2 B:ASN40 3.4 16.0 1.0 HD21 B:ASN40 3.6 19.1 1.0 HD21 B:LEU96 3.7 28.6 1.0 CG B:PHE127 3.7 19.5 1.0 CB B:PHE127 3.7 19.8 1.0 HD21 B:LEU176 3.7 19.9 1.0 C10 B:RDC301 3.8 19.0 1.0 HD11 B:LEU176 3.8 18.4 1.0 CE1 B:PHE127 4.0 17.6 1.0 HB3 B:ASN40 4.1 17.5 1.0 C4 B:RDC301 4.1 14.0 1.0 H10 B:RDC301 4.1 22.8 1.0 C2 B:RDC301 4.2 15.4 1.0 HE1 B:PHE127 4.2 21.2 1.0 HA B:PHE127 4.2 21.5 1.0 H81 B:RDC301 4.3 24.1 1.0 HB3 B:PHE127 4.4 23.7 1.0 CG B:ASN40 4.4 15.1 1.0 O B:HOH486 4.4 25.1 1.0 HD22 B:LEU37 4.5 17.2 1.0 CD2 B:LEU96 4.5 23.8 1.0 C11 B:RDC301 4.6 19.6 1.0 CA B:PHE127 4.6 17.9 1.0 CB B:ASN40 4.6 14.6 1.0 HD23 B:LEU96 4.6 28.6 1.0 HB2 B:ASN40 4.6 17.5 1.0 H11 B:RDC301 4.6 23.5 1.0 C3 B:RDC301 4.7 13.7 1.0 CD2 B:LEU176 4.7 16.6 1.0 CD1 B:LEU176 4.7 15.3 1.0 CD2 B:PHE127 4.8 20.6 1.0 O B:HOH509 4.8 19.6 1.0 HE1 B:MET87 4.9 21.6 1.0 HD22 B:LEU96 4.9 28.6 1.0 H4 B:RDC301 4.9 16.8 1.0 HD22 B:LEU176 5.0 19.9 1.0 HD11 B:LEU96 5.0 26.1 1.0

L.Whitesell, N.Robbins, D.S.Huang, C.A.Mclellan, T.Shekhar-Guturja, E.V.Leblanc, C.S.Nation, R.Hui, A.Hutchinson, C.Collins, S.Chatterjee, R.Trilles, J.L.Xie, D.J.Krysan, S.Lindquist, J.A.Porco Jr., U.Tatu, L.E.Brown, J.Pizarro, L.E.Cowen. Structural Basis For Species-Selective Targeting of HSP90 in A Pathogenic Fungus. Nat Commun V. 10 402 2019.
ISSN: ESSN 2041-1723
PubMed: 30679438
DOI: 10.1038/S41467-018-08248-W