Chlorine in PDB 6fo0: Cryoem Structure of Bovine Cytochrome BC1 in Complex with the Anti- Malarial Compound GSK932121

All present enzymatic activity of Cryoem Structure of Bovine Cytochrome BC1 in Complex with the Anti- Malarial Compound GSK932121:
1.10.2.2;

The structure of Cryoem Structure of Bovine Cytochrome BC1 in Complex with the Anti- Malarial Compound GSK932121 also contains other interesting chemical elements:

Fluorine	(F)	6 atoms
Iron	(Fe)	6 atoms

The binding sites of Chlorine atom in the Cryoem Structure of Bovine Cytochrome BC1 in Complex with the Anti- Malarial Compound GSK932121 (pdb code 6fo0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Cryoem Structure of Bovine Cytochrome BC1 in Complex with the Anti- Malarial Compound GSK932121, PDB code: 6fo0:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Cryoem Structure of Bovine Cytochrome BC1 in Complex with the Anti- Malarial Compound GSK932121


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Cryoem Structure of Bovine Cytochrome BC1 in Complex with the Anti- Malarial Compound GSK932121 within 5.0Å range: probe atom residue distance (Å) B Occ P:Cl503 b:67.8 occ:1.00 CL P:G8U503 0.0 67.8 1.0 C19 P:G8U503 1.8 67.8 1.0 C20 P:G8U503 2.7 67.8 1.0 C18 P:G8U503 2.7 67.8 1.0 O23 P:G8U503 3.0 67.8 1.0 C27 P:G8U503 3.0 67.8 1.0 HE1 P:PHE220 3.2 63.5 1.0 HG P:SER35 3.7 61.2 1.0 HB3 P:TRP31 3.7 62.5 1.0 N28 P:G8U503 4.0 67.8 1.0 OG P:SER35 4.0 61.2 1.0 C17 P:G8U503 4.0 67.8 1.0 HB3 P:TYR224 4.1 61.5 1.0 CE1 P:PHE220 4.1 63.5 1.0 CBA P:HEM502 4.1 60.8 1.0 O P:TRP31 4.3 62.5 1.0 HE3 P:TRP31 4.3 62.5 1.0 HB2 P:TRP31 4.4 62.5 1.0 HD1 P:TYR224 4.5 61.5 1.0 CB P:TRP31 4.5 62.5 1.0 C22 P:G8U503 4.5 67.8 1.0 HZ P:PHE220 4.5 63.5 1.0 OD2 P:ASP228 4.6 62.2 1.0 OD1 P:ASP228 4.6 62.2 1.0 CZ P:PHE220 4.8 63.5 1.0 CGA P:HEM502 4.9 60.8 1.0 CD1 P:TYR224 4.9 61.5 1.0 C P:TRP31 4.9 62.5 1.0 CB P:TYR224 4.9 61.5 1.0 CAA P:HEM502 4.9 60.8 1.0 HG21 P:ILE27 5.0 61.5 1.0

Chlorine binding site 2 out of 2 in the Cryoem Structure of Bovine Cytochrome BC1 in Complex with the Anti- Malarial Compound GSK932121


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Cryoem Structure of Bovine Cytochrome BC1 in Complex with the Anti- Malarial Compound GSK932121 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl503 b:69.9 occ:1.00 CL C:G8U503 0.0 69.9 1.0 C19 C:G8U503 1.8 69.9 1.0 C20 C:G8U503 2.7 69.9 1.0 C18 C:G8U503 2.7 69.9 1.0 O23 C:G8U503 3.0 69.9 1.0 C27 C:G8U503 3.0 69.9 1.0 HE1 C:PHE220 3.1 65.7 1.0 HG C:SER35 3.7 62.6 1.0 HB3 C:TRP31 3.8 63.4 1.0 HB3 C:TYR224 4.0 63.4 1.0 N28 C:G8U503 4.0 69.9 1.0 CE1 C:PHE220 4.0 65.7 1.0 C17 C:G8U503 4.0 69.9 1.0 OG C:SER35 4.1 62.6 1.0 CBA C:HEM502 4.3 61.5 1.0 HE3 C:TRP31 4.3 63.4 1.0 HD1 C:TYR224 4.4 63.4 1.0 O C:TRP31 4.4 63.4 1.0 HZ C:PHE220 4.4 65.7 1.0 HB2 C:TRP31 4.5 63.4 1.0 C22 C:G8U503 4.5 69.9 1.0 OD2 C:ASP228 4.5 64.2 1.0 CB C:TRP31 4.6 63.4 1.0 OD1 C:ASP228 4.6 64.2 1.0 CZ C:PHE220 4.7 65.7 1.0 CD1 C:TYR224 4.7 63.4 1.0 CB C:TYR224 4.8 63.4 1.0 HD1 C:PHE220 4.9 65.7 1.0 CG C:TYR224 4.9 63.4 1.0 CGA C:HEM502 5.0 61.5 1.0 HB2 C:TYR224 5.0 63.4 1.0 HG21 C:ILE27 5.0 63.3 1.0 C C:TRP31 5.0 63.4 1.0 CD1 C:PHE220 5.0 65.7 1.0

K.Amporndanai, R.M.Johnson, P.M.O'neill, C.W.G.Fishwick, A.H.Jamson, S.Rawson, S.P.Muench, S.S.Hasnain, S.V.Antonyuk. X-Ray and Cryo-Em Structures of Inhibitor-Bound CYTOCHROMEBC1COMPLEXES For Structure-Based Drug Discovery. Iucrj V. 5 200 2018.
ISSN: ESSN 2052-2525
PubMed: 29765610
DOI: 10.1107/S2052252518001616