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

The structure of Structure of Q67H Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer, PDB code: 7rar 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)	46.75 / 2.15
Space group	P 6
Cell size a, b, c (Å), α, β, γ (°)	91.849, 91.849, 57.775, 90, 90, 120
R / Rfree (%)	20.8 / 24

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

Chlorine

(Cl)

4 atoms

The binding sites of Iodine atom in the Structure of Q67H Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer (pdb code 7rar). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 6 binding sites of Iodine where determined in the Structure of Q67H Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer, PDB code: 7rar:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6;

Iodine binding site 1 out of 6 in the Structure of Q67H 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 Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer within 5.0Å range: probe atom residue distance (Å) B Occ C:I301 b:34.5 occ:1.00 CA C:GLY156 3.7 31.1 1.0 N C:GLU159 3.8 31.4 1.0 N C:LYS158 3.9 33.9 1.0 CD C:PRO157 3.9 34.3 1.0 N C:PRO157 4.0 28.6 1.0 C C:GLY156 4.0 32.6 1.0 CB C:GLU159 4.2 28.6 1.0 C C:LYS158 4.2 38.8 1.0 CA C:GLU159 4.4 30.5 1.0 CA C:LYS158 4.4 36.9 1.0 CG C:PRO157 4.5 37.9 1.0 CB C:LYS158 4.5 50.2 1.0 N C:GLY156 4.8 26.3 1.0 O C:GLY156 4.8 28.4 1.0 C C:PRO157 4.9 34.7 1.0

Iodine binding site 2 out of 6 in the Structure of Q67H 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 Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer within 5.0Å range: probe atom residue distance (Å) B Occ C:I302 b:54.5 occ:1.00 CA C:PRO38 3.9 24.1 1.0 N C:PRO38 4.1 22.5 1.0 CG2 C:ILE37 4.2 33.1 1.0 CB C:SER41 4.3 23.8 1.0 CB C:PRO38 4.3 26.7 1.0 C C:ILE37 4.4 25.3 1.0 O C:HOH490 4.4 35.9 1.0 O C:ILE37 4.4 25.3 1.0 CD1 C:ILE135 4.4 30.8 1.0 CD C:PRO38 4.6 25.0 1.0 OG C:SER41 4.7 28.5 1.0 CG2 C:ILE135 4.7 23.8 1.0 CB C:ILE37 4.8 24.7 1.0

Iodine binding site 3 out of 6 in the Structure of Q67H 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 Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer within 5.0Å range: probe atom residue distance (Å) B Occ C:I303 b:81.3 occ:1.00 CG C:ARG18 3.7 39.8 1.0 CD C:PRO17 3.7 32.4 1.0 N C:ARG18 3.7 28.2 1.0 O C:HOH576 3.8 53.1 1.0 CB C:ARG18 3.9 36.7 1.0 O C:HOH530 4.1 49.5 1.0 N C:PRO17 4.1 32.7 1.0 CG C:PRO17 4.2 32.5 1.0 CB C:SER16 4.2 28.9 1.0 CB C:PRO17 4.2 31.7 1.0 OG C:SER16 4.4 27.8 1.0 CA C:ARG18 4.4 30.0 1.0 O C:HOH571 4.4 50.3 1.0 C C:PRO17 4.6 30.2 1.0 CA C:PRO17 4.6 29.9 1.0 C C:SER16 4.8 29.7 1.0 CA C:SER16 4.9 28.1 1.0

Iodine binding site 4 out of 6 in the Structure of Q67H 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 Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer within 5.0Å range: probe atom residue distance (Å) B Occ C:I304 b:50.0 occ:1.00 NH1 C:ARG173 3.6 27.8 1.0 CD C:ARG173 3.9 29.7 1.0 OE1 C:GLU35 4.0 30.9 1.0 CG C:LYS170 4.0 35.5 1.0 NZ C:LYS170 4.2 55.4 1.0 CA C:LYS170 4.4 26.2 1.0 CB C:LYS170 4.5 30.5 1.0 CZ C:ARG173 4.6 29.1 1.0 NE C:ARG173 4.7 25.9 1.0 CD C:PRO34 4.7 28.8 1.0 CG C:PRO34 4.7 30.0 1.0 O C:LYS170 4.7 24.2 1.0 CD C:GLU35 4.8 30.1 1.0 CB C:PRO34 4.9 28.2 1.0

Iodine binding site 5 out of 6 in the Structure of Q67H 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 5 of Structure of Q67H Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer within 5.0Å range: probe atom residue distance (Å) B Occ C:I305 b:92.0 occ:1.00 O C:HOH571 3.1 50.3 1.0 O C:HOH444 3.4 29.0 1.0 O C:PRO17 3.6 25.8 1.0 C C:PRO17 3.9 30.2 1.0 CB C:ASN21 4.0 30.9 1.0 CB C:PRO17 4.1 31.7 1.0 N C:ARG18 4.2 28.2 1.0 CA C:ARG18 4.3 30.0 1.0 CG C:ASN21 4.5 34.8 1.0 ND2 C:ASN21 4.6 35.3 1.0 CG C:ARG18 4.6 39.8 1.0 CA C:PRO17 4.6 29.9 1.0 O C:HOH451 4.8 35.3 1.0

Iodine binding site 6 out of 6 in the Structure of Q67H 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 6 of Structure of Q67H Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer within 5.0Å range: probe atom residue distance (Å) B Occ C:I306 b:65.2 occ:1.00 CA C:ARG173 3.9 30.3 1.0 O C:HOH489 4.0 45.3 1.0 N C:ARG173 4.1 31.1 1.0 CD2 C:LEU172 4.1 29.8 1.0 CG C:LEU172 4.1 34.4 1.0 C C:LEU172 4.3 31.6 1.0 CB C:ARG173 4.3 29.9 1.0 O C:LEU172 4.3 29.3 1.0 CB C:LEU172 4.5 23.4 1.0 O C:TYR169 4.8 23.6 1.0 CG C:ARG173 4.8 30.5 1.0 CD1 C:TYR169 4.9 27.1 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