Chlorine in PDB 7m9f: Structure of the Wild-Type Native Full-Length Hiv-1 Capsid Protein in Complex with Zw-1261

The structure of Structure of the Wild-Type Native Full-Length Hiv-1 Capsid Protein in Complex with Zw-1261, PDB code: 7m9f was solved by K.A.Kirby, S.G.Sarafianos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.71 / 2.70
Space group	P 6
Cell size a, b, c (Å), α, β, γ (°)	90.9, 90.9, 56.14, 90, 90, 120
R / Rfree (%)	16.9 / 25.3

The structure of Structure of the Wild-Type Native Full-Length Hiv-1 Capsid Protein in Complex with Zw-1261 also contains other interesting chemical elements:

Iodine

(I)

5 atoms

The binding sites of Chlorine atom in the Structure of the Wild-Type Native Full-Length Hiv-1 Capsid Protein in Complex with Zw-1261 (pdb code 7m9f). 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 Structure of the Wild-Type Native Full-Length Hiv-1 Capsid Protein in Complex with Zw-1261, PDB code: 7m9f:

Chlorine binding site 1 out of 1 in the Structure of the Wild-Type Native Full-Length Hiv-1 Capsid Protein in Complex with Zw-1261


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Wild-Type Native Full-Length Hiv-1 Capsid Protein in Complex with Zw-1261 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl300 b:124.7 occ:1.00 CL A:YTG300 0.0 124.7 1.0 C17 A:YTG300 1.7 55.5 1.0 C16 A:YTG300 2.7 43.3 1.0 C18 A:YTG300 2.7 47.0 1.0 OD1 A:ASN74 3.8 71.3 1.0 O A:HOH414 3.9 67.4 1.0 CG2 A:ILE73 3.9 38.9 1.0 C15 A:YTG300 3.9 50.1 1.0 C19 A:YTG300 4.0 49.6 1.0 CB A:LYS70 4.0 49.1 1.0 O A:LYS70 4.0 45.5 1.0 CB A:ILE73 4.1 40.7 1.0 CG A:LYS70 4.2 53.7 1.0 CA A:LYS70 4.2 51.4 1.0 CG A:ASN74 4.3 71.5 1.0 ND2 A:ASN74 4.4 79.1 1.0 C13 A:YTG300 4.4 49.1 1.0 C A:LYS70 4.5 50.5 1.0 CD A:LYS70 4.5 54.0 1.0 CD1 A:ILE73 4.8 38.4 1.0 CG2 A:THR107 4.9 73.9 1.0 N A:ASN74 5.0 55.8 1.0

Q.Sun, R.M.Levy, K.A.Kirby, Z.Wang, S.G.Sarafianos, N.Deng. Molecular Dynamics Free Energy Simulations Reveal the Mechanism For the Antiviral Resistance of the M66I Hiv-1 Capsid Mutation. Viruses V. 13 2021.
ISSN: ESSN 1999-4915
PubMed: 34063519
DOI: 10.3390/V13050920