Iodine in PDB 7rhm: Structure of Q67H/N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer

The structure of Structure of Q67H/N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer, PDB code: 7rhm 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)	46.83 / 2.16
Space group	P 6
Cell size a, b, c (Å), α, β, γ (°)	92.116, 92.116, 57.837, 90, 90, 120
R / Rfree (%)	23.1 / 26

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

Chlorine

(Cl)

5 atoms

The binding sites of Iodine atom in the Structure of Q67H/N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer (pdb code 7rhm). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 4 binding sites of Iodine where determined in the Structure of Q67H/N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer, PDB code: 7rhm:
Jump to Iodine binding site number: 1; 2; 3; 4;

Iodine binding site 1 out of 4 in the Structure of 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 Structure of Q67H/N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer within 5.0Å range: probe atom residue distance (Å) B Occ C:I301 b:30.4 occ:1.00 N C:GLU159 3.7 29.9 1.0 N C:LYS158 3.8 28.9 1.0 CA C:GLY156 3.8 29.6 1.0 CD C:PRO157 3.9 32.0 1.0 N C:PRO157 4.1 30.4 1.0 C C:GLY156 4.1 29.0 1.0 C C:LYS158 4.1 31.8 1.0 CB C:GLU159 4.2 26.2 1.0 CA C:LYS158 4.2 31.7 1.0 CB C:LYS158 4.3 35.8 1.0 CA C:GLU159 4.3 30.0 1.0 CG C:PRO157 4.4 36.2 1.0 C C:PRO157 4.8 28.3 1.0 O C:GLY156 4.9 27.7 1.0 N C:GLY156 4.9 28.2 1.0 O C:LYS158 4.9 32.2 1.0 CA C:PRO157 5.0 31.3 1.0

Iodine binding site 2 out of 4 in the Structure of 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 2 of Structure of Q67H/N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer within 5.0Å range: probe atom residue distance (Å) B Occ C:I302 b:77.8 occ:1.00 O C:HOH558 3.4 50.5 1.0 O C:HOH436 3.6 20.1 1.0 O C:PRO17 3.7 26.4 1.0 C C:PRO17 4.0 24.7 1.0 CB C:ASN21 4.1 24.3 1.0 N C:ARG18 4.2 21.8 1.0 CA C:ARG18 4.3 26.1 1.0 CB C:PRO17 4.3 25.9 1.0 CG C:ASN21 4.5 26.8 1.0 ND2 C:ASN21 4.7 28.0 1.0 O C:HOH471 4.7 26.6 1.0 CA C:PRO17 4.8 23.4 1.0

Iodine binding site 3 out of 4 in the Structure of 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 3 of Structure of Q67H/N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer within 5.0Å range: probe atom residue distance (Å) B Occ C:I303 b:41.3 occ:1.00 N C:GLY61 3.4 24.5 1.0 CA C:GLY60 4.0 21.5 1.0 CG C:GLN63 4.1 22.4 1.0 NE2 C:GLN63 4.1 21.1 1.0 CD C:GLN63 4.2 22.4 1.0 C C:GLY60 4.2 30.0 1.0 CA C:GLY61 4.4 25.7 1.0 OE1 C:GLN63 4.8 26.0 1.0

Iodine binding site 4 out of 4 in the Structure of 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 4 of Structure of Q67H/N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer within 5.0Å range: probe atom residue distance (Å) B Occ C:I304 b:53.9 occ:1.00 NZ C:LYS182 3.4 61.7 1.0 CE C:LYS182 3.7 64.2 1.0 CD C:LYS182 3.7 70.1 1.0 CA C:ARG173 4.0 28.4 1.0 N C:ARG173 4.1 30.8 1.0 CG C:LEU172 4.1 31.8 1.0 CD2 C:LEU172 4.2 39.9 1.0 O C:HOH535 4.2 34.5 1.0 C C:LEU172 4.3 32.6 1.0 CB C:ARG173 4.3 27.3 1.0 O C:LEU172 4.4 27.0 1.0 CB C:LEU172 4.5 26.0 1.0 CG C:LYS182 4.6 75.2 1.0 O C:TYR169 4.7 19.0 1.0 CD1 C:TYR169 4.8 28.6 1.0 CG C:ARG173 4.8 28.5 1.0 O C:HOH543 5.0 47.2 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