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

The structure of Structure of N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer, PDB code: 7rmm 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)	45.43 / 1.97
Space group	P 6
Cell size a, b, c (Å), α, β, γ (°)	157.36, 157.36, 56.575, 90, 90, 120
R / Rfree (%)	21.8 / 24.7

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

Chlorine

(Cl)

17 atoms

The binding sites of Iodine atom in the Structure of N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer (pdb code 7rmm). 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 N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer, PDB code: 7rmm:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6;

Iodine binding site 1 out of 6 in the Structure of 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 N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer within 5.0Å range: probe atom residue distance (Å) B Occ A:I301 b:46.8 occ:1.00 N A:GLY61 3.4 31.4 1.0 CG A:GLN63 3.9 23.1 1.0 CA A:GLY60 3.9 32.0 1.0 CD A:GLN63 4.1 25.4 1.0 NE2 A:GLN63 4.1 23.8 1.0 C A:GLY60 4.2 29.7 1.0 CA A:GLY61 4.4 30.5 1.0 OE1 A:GLN63 4.7 24.8 1.0 O A:VAL59 4.9 24.8 1.0

Iodine binding site 2 out of 6 in the Structure of 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 N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer within 5.0Å range: probe atom residue distance (Å) B Occ A:I302 b:75.8 occ:1.00 O A:HOH465 3.3 28.3 1.0 CD A:ARG18 3.6 48.0 1.0 CG A:ARG18 3.6 48.8 1.0 NE A:ARG18 3.9 52.7 1.0 CB A:ALA22 4.7 23.1 1.0 O A:ARG18 5.0 26.2 1.0

Iodine binding site 3 out of 6 in the Structure of 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 N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer within 5.0Å range: probe atom residue distance (Å) B Occ B:I301 b:33.3 occ:1.00 N B:GLY61 3.4 27.6 1.0 CG B:GLN63 4.0 25.5 1.0 CA B:GLY60 4.1 28.8 1.0 CD B:GLN63 4.2 26.6 1.0 NE2 B:GLN63 4.2 23.4 1.0 C B:GLY60 4.3 28.0 1.0 CA B:GLY61 4.4 28.9 1.0 OE1 B:GLN63 4.8 26.6 1.0

Iodine binding site 4 out of 6 in the Structure of 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 N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer within 5.0Å range: probe atom residue distance (Å) B Occ B:I302 b:67.9 occ:1.00 O B:HOH405 3.1 48.1 1.0 NE B:ARG18 3.2 55.0 1.0 O B:HOH459 3.3 34.2 1.0 NH2 B:ARG18 3.8 65.8 1.0 CG B:ARG18 3.9 46.0 1.0 CZ B:ARG18 3.9 64.3 1.0 CD B:ARG18 4.1 56.6 1.0 CB B:ALA22 4.6 23.6 1.0 O B:HOH495 4.8 46.9 1.0 O B:ARG18 4.9 22.9 1.0

Iodine binding site 5 out of 6 in the Structure of 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 5 of Structure of N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer within 5.0Å range: probe atom residue distance (Å) B Occ C:I301 b:39.8 occ:1.00 N C:GLY61 3.5 35.1 1.0 CG C:GLN63 3.9 30.5 1.0 CD C:GLN63 4.1 28.9 1.0 NE2 C:GLN63 4.2 28.5 1.0 CA C:GLY60 4.2 30.4 1.0 C C:GLY60 4.3 27.0 1.0 CA C:GLY61 4.5 32.6 1.0 OE1 C:GLN63 4.7 31.8 1.0

Iodine binding site 6 out of 6 in the Structure of 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 6 of Structure of N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer within 5.0Å range: probe atom residue distance (Å) B Occ C:I302 b:82.8 occ:1.00 O C:HOH411 3.3 29.8 1.0 CB C:ALA22 4.7 24.5 1.0 O C:HOH484 4.9 51.6 1.0 O C:ARG18 5.0 28.8 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