Iodine in PDB 7rj2: Co-Crystal Structure of Lenacapavir Bound to Q67H/N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer

The structure of Co-Crystal Structure of Lenacapavir Bound to Q67H/N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer, PDB code: 7rj2 was solved by S.M.Bester, M.Kvaratskhelia, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.92 / 2.32
Space group	P 6
Cell size a, b, c (Å), α, β, γ (°)	92.183, 92.183, 57.965, 90, 90, 120
R / Rfree (%)	19.9 / 24.6

The structure of Co-Crystal Structure of Lenacapavir Bound to Q67H/N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer also contains other interesting chemical elements:

Chlorine	(Cl)	6 atoms
Fluorine	(F)	20 atoms

The binding sites of Iodine atom in the Co-Crystal Structure of Lenacapavir Bound to Q67H/N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer (pdb code 7rj2). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was determined in the Co-Crystal Structure of Lenacapavir Bound to Q67H/N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer, PDB code: 7rj2:

Iodine binding site 1 out of 1 in the Co-Crystal Structure of Lenacapavir Bound to Q67H/N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Co-Crystal Structure of Lenacapavir Bound to Q67H/N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer within 5.0Å range: probe atom residue distance (Å) B Occ C:I306 b:32.2 occ:1.00 N C:ALA92 3.5 46.6 1.0 O C:HOH427 3.8 43.7 1.0 CB C:ALA92 4.0 50.2 1.0 O C:HOH459 4.0 43.7 1.0 CB C:GLN95 4.1 41.0 1.0 CA C:ILE91 4.2 44.0 1.0 CG2 C:ILE91 4.3 39.6 1.0 CA C:ALA92 4.4 48.9 1.0 C C:ILE91 4.4 45.9 1.0 CG C:GLN95 4.4 57.8 1.0 CD1 C:ILE91 4.6 39.6 1.0 O C:PRO90 4.8 49.4 1.0 CB C:ILE91 4.8 40.9 1.0

S.M.Bester, D.Adu-Ampratwum, A.S.Annamalai, G.Wei, L.Briganti, B.C.Murphy, R.Haney, J.R.Fuchs, M.Kvaratskhelia. Structural and Mechanistic Bases of Viral Resistance to Hiv-1 Capsid Inhibitor Lenacapavir. Mbio V. 13 80422 2022.
ISSN: ESSN 2150-7511
PubMed: 36190128
DOI: 10.1128/MBIO.01804-22