Chlorine 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:

Iodine

(I)

6 atoms

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

Chlorine binding site 1 out of 4 in the Structure of Q67H 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 Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl307 b:51.0 occ:1.00 CB C:ASN57 3.7 25.1 1.0 CG C:ASN57 3.8 29.6 1.0 ND2 C:ASN57 4.0 28.2 1.0 OD1 C:ASN57 4.3 26.7 1.0 O C:ASN57 4.8 19.7 1.0 CA C:ASN57 4.8 25.2 1.0

Chlorine binding site 2 out of 4 in the Structure of Q67H 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 Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl308 b:48.8 occ:1.00 CD C:PRO125 4.1 34.7 1.0 CG2 C:ILE124 4.2 36.2 1.0 CH2 C:TRP80 4.3 34.1 1.0 CD1 C:ILE124 4.3 51.1 1.0 O C:HOH560 4.4 45.1 1.0 CD1 C:ILE129 4.4 33.6 1.0 CA C:ILE124 4.7 35.7 1.0 O C:HOH553 4.8 45.6 1.0 CB C:ILE124 4.9 36.3 1.0

Chlorine binding site 3 out of 4 in the Structure of Q67H 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 Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl309 b:29.4 occ:1.00 O C:HOH446 3.1 42.1 1.0 CD C:GLN219 3.2 76.3 1.0 OE1 C:GLN219 3.3 75.5 1.0 NH1 C:ARG162 3.3 48.1 1.0 NE2 C:GLN219 3.6 82.2 1.0 CG C:GLN219 3.6 71.9 1.0 CD C:ARG162 3.8 48.2 1.0 CB C:ARG162 4.2 31.0 1.0 CZ C:ARG162 4.2 48.3 1.0 CE C:MET215 4.3 31.9 1.0 O C:HOH535 4.3 24.8 1.0 NE C:ARG162 4.4 48.9 1.0 O C:MET215 4.4 37.2 1.0 CB C:MET215 4.5 28.4 1.0 CG C:ARG162 4.6 40.5 1.0 C C:MET215 4.9 37.6 1.0

Chlorine binding site 4 out of 4 in the Structure of Q67H 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 Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl310 b:14.7 occ:1.00 O C:GLY60 2.7 26.6 1.0 O C:HOH496 3.4 42.6 1.0 CD2 C:HIS62 3.4 30.8 1.0 NE2 C:HIS62 3.7 35.1 1.0 O C:HOH554 3.8 37.0 1.0 C C:GLY60 3.9 31.5 1.0 O C:HOH414 4.0 39.1 1.0 CG1 C:VAL27 4.0 21.4 1.0 CG C:GLU28 4.2 34.6 1.0 CG1 C:VAL59 4.4 22.6 1.0 CA C:GLU28 4.4 31.9 1.0 O C:HOH464 4.4 23.2 1.0 N C:GLU28 4.5 27.3 1.0 O C:HOH415 4.5 30.4 1.0 N C:GLY60 4.5 24.6 1.0 CG C:HIS62 4.6 34.8 1.0 C C:VAL27 4.7 28.4 1.0 O C:VAL27 4.7 29.9 1.0 CA C:GLY61 4.8 35.0 1.0 CA C:GLY60 4.8 26.2 1.0 N C:GLY61 4.8 28.2 1.0 C C:GLY61 4.8 25.6 1.0 CB C:VAL27 4.9 25.1 1.0 CB C:GLU28 4.9 30.2 1.0 CE1 C:HIS62 5.0 36.0 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