Chlorine 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:

Iodine

(I)

4 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Structure of Q67H/N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer, PDB code: 7rhm:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Structure of Q67H/N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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:Cl305 b:24.3 occ:1.00 O C:HOH558 3.6 50.5 1.0 CD C:PRO17 3.6 24.4 1.0 N C:ARG18 3.6 21.8 1.0 CB C:ARG18 3.8 25.5 1.0 N C:PRO17 4.1 22.1 1.0 CB C:SER16 4.1 23.4 1.0 CG C:PRO17 4.2 23.3 1.0 CB C:PRO17 4.3 25.9 1.0 CA C:ARG18 4.4 26.1 1.0 O C:HOH533 4.5 33.9 1.0 C C:PRO17 4.5 24.7 1.0 CA C:PRO17 4.6 23.4 1.0 OG C:SER16 4.6 23.9 1.0 C C:SER16 4.7 22.0 1.0 CA C:SER16 4.8 23.3 1.0

Chlorine binding site 2 out of 5 in the Structure of Q67H/N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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:Cl306 b:8.4 occ:1.00 O C:HOH569 3.4 32.0 1.0 CA C:PRO38 4.0 19.4 1.0 N C:PRO38 4.1 17.3 1.0 CG2 C:ILE37 4.1 20.7 1.0 O C:ILE37 4.2 22.1 1.0 CB C:SER41 4.2 15.7 1.0 C C:ILE37 4.2 19.7 1.0 CD1 C:ILE135 4.3 22.1 1.0 CB C:PRO38 4.4 18.5 1.0 O C:HOH460 4.5 30.7 1.0 CG2 C:ILE135 4.5 17.4 1.0 OG C:SER41 4.6 23.2 1.0 CD C:PRO38 4.6 18.0 1.0 CB C:ILE37 4.7 20.4 1.0 O C:HOH416 4.8 25.0 1.0

Chlorine binding site 3 out of 5 in the Structure of Q67H/N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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:Cl307 b:14.1 occ:1.00 O C:GLY60 2.8 23.9 1.0 O C:HOH472 3.4 17.6 1.0 CD2 C:HIS62 3.4 26.8 1.0 O C:HOH409 3.7 26.0 1.0 NE2 C:HIS62 3.7 29.7 1.0 CG C:GLU28 3.9 24.5 1.0 C C:GLY60 4.0 30.0 1.0 CG1 C:VAL27 4.1 20.3 1.0 CA C:GLU28 4.3 24.1 1.0 CG1 C:VAL59 4.4 17.9 1.0 N C:GLU28 4.4 21.2 1.0 O C:VAL27 4.5 23.1 1.0 O C:HOH456 4.5 17.5 1.0 C C:VAL27 4.6 20.7 1.0 N C:GLY60 4.6 20.7 1.0 CB C:GLU28 4.7 23.4 1.0 CG C:HIS62 4.7 28.4 1.0 CA C:GLY60 4.9 21.5 1.0 CB C:VAL27 4.9 18.5 1.0 N C:GLY61 5.0 24.5 1.0 CA C:GLY61 5.0 25.7 1.0

Chlorine binding site 4 out of 5 in the Structure of Q67H/N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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:Cl308 b:22.6 occ:1.00 OE1 C:GLN219 3.5 77.7 1.0 CD C:ARG162 3.8 40.6 1.0 NH1 C:ARG162 3.8 41.4 1.0 CE C:MET215 3.9 33.0 1.0 CD C:GLN219 4.0 94.2 1.0 CB C:ARG162 4.3 26.5 1.0 O C:MET215 4.4 32.4 1.0 O C:HOH490 4.4 21.9 1.0 NE C:ARG162 4.4 41.1 1.0 CZ C:ARG162 4.4 43.5 1.0 CG C:ARG162 4.5 33.5 1.0 NE2 C:GLN219 4.5 104.4 1.0 CB C:MET215 4.5 26.3 1.0 CG C:GLN219 4.6 83.3 1.0 CB C:GLN219 4.8 61.9 1.0 C C:MET215 4.8 29.6 1.0

Chlorine binding site 5 out of 5 in the Structure of Q67H/N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 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:Cl309 b:34.0 occ:1.00 N C:ARG97 3.6 35.2 1.0 CG C:ARG97 3.7 35.6 1.0 O C:HOH550 4.0 30.2 1.0 SD C:MET96 4.0 40.7 1.0 CB C:ARG97 4.1 32.2 1.0 CE C:MET96 4.1 26.7 1.0 CA C:MET96 4.2 35.8 1.0 CD C:ARG97 4.2 33.0 1.0 C C:MET96 4.4 37.0 1.0 CA C:ARG97 4.4 34.7 1.0 CG2 C:ILE91 4.5 28.2 1.0 CG1 C:ILE91 4.6 31.9 1.0 O C:GLN95 4.6 37.7 1.0 NE C:ARG97 4.7 30.5 1.0 OE2 C:GLU113 4.8 33.6 1.0 CB C:MET96 4.8 31.2 1.0 CB C:ILE91 4.9 34.1 1.0 CG C:GLU113 5.0 25.1 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