Chlorine in PDB 4xfz: Structure of the Native Full-Length Hiv-1 Capsid Protein in Complex with Pf-3450074 (PF74)

The structure of Structure of the Native Full-Length Hiv-1 Capsid Protein in Complex with Pf-3450074 (PF74), PDB code: 4xfz was solved by A.T.Gres, 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)	45.00 / 2.70
Space group	P 6
Cell size a, b, c (Å), α, β, γ (°)	92.181, 92.181, 56.976, 90.00, 90.00, 120.00
R / Rfree (%)	21 / 24.1

The structure of Structure of the Native Full-Length Hiv-1 Capsid Protein in Complex with Pf-3450074 (PF74) also contains other interesting chemical elements:

Iodine

(I)

6 atoms

The binding sites of Chlorine atom in the Structure of the Native Full-Length Hiv-1 Capsid Protein in Complex with Pf-3450074 (PF74) (pdb code 4xfz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of the Native Full-Length Hiv-1 Capsid Protein in Complex with Pf-3450074 (PF74), PDB code: 4xfz:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of the Native Full-Length Hiv-1 Capsid Protein in Complex with Pf-3450074 (PF74)


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 Native Full-Length Hiv-1 Capsid Protein in Complex with Pf-3450074 (PF74) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl307 b:78.6 occ:1.00 ND2 A:ASN74 4.0 78.8 1.0 C19 A:1B0309 4.4 51.9 1.0 CD A:LYS70 4.4 77.3 1.0 CE A:LYS70 4.6 85.1 1.0 O A:HOH411 4.7 63.3 1.0 OD1 A:ASN74 4.9 77.1 1.0 CG A:ASN74 4.9 78.0 1.0

Chlorine binding site 2 out of 2 in the Structure of the Native Full-Length Hiv-1 Capsid Protein in Complex with Pf-3450074 (PF74)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the Native Full-Length Hiv-1 Capsid Protein in Complex with Pf-3450074 (PF74) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl308 b:80.8 occ:1.00 OD1 A:ASN57 3.6 67.5 1.0 CG A:ASN57 3.7 59.9 1.0 C25 A:1B0309 3.9 50.0 1.0 ND2 A:ASN57 4.1 61.9 1.0 CB A:ASN57 4.1 56.9 1.0 C23 A:1B0309 4.8 51.7 1.0 N4 A:1B0309 4.8 50.7 1.0 C1 A:1B0309 4.9 51.2 1.0

A.T.Gres, K.A.Kirby, V.N.Kewalramani, J.J.Tanner, O.Pornillos, S.G.Sarafianos. Structural Virology. X-Ray Crystal Structures of Native Hiv-1 Capsid Protein Reveal Conformational Variability. Science V. 349 99 2015.
ISSN: ESSN 1095-9203
PubMed: 26044298
DOI: 10.1126/SCIENCE.AAA5936