Chlorine in PDB 7rao: Structure of M66I Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer

The structure of Structure of M66I Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer, PDB code: 7rao 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)	44.22 / 2.29
Space group	P 6
Cell size a, b, c (Å), α, β, γ (°)	158.962, 158.962, 57.711, 90, 90, 120
R / Rfree (%)	21.6 / 24.4

The structure of Structure of M66I Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer also contains other interesting chemical elements:

Iodine

(I)

10 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Chlorine atom in the Structure of M66I Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer (pdb code 7rao). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 12 binding sites of Chlorine where determined in the Structure of M66I Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer, PDB code: 7rao:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 12 in the Structure of M66I 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 M66I Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:46.0 occ:1.00 CG A:ASN57 3.8 24.7 1.0 CB A:ASN57 3.8 25.1 1.0 ND2 A:ASN57 4.0 27.2 1.0 OD1 A:ASN57 4.1 30.7 1.0 O A:HOH482 4.8 32.7 1.0 CA A:ASN57 4.8 24.5 1.0 O A:ASN57 4.9 25.8 1.0

Chlorine binding site 2 out of 12 in the Structure of M66I 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 M66I Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:21.6 occ:1.00 CA A:PRO38 3.9 21.7 1.0 CG2 A:ILE37 3.9 22.7 1.0 N A:PRO38 4.1 25.0 1.0 CB A:SER41 4.2 22.8 1.0 O A:ILE37 4.3 27.2 1.0 C A:ILE37 4.3 22.4 1.0 O A:HOH446 4.3 36.8 1.0 CB A:PRO38 4.4 21.9 1.0 CG A:PRO38 4.4 26.5 1.0 CD1 A:ILE135 4.4 27.6 1.0 O A:HOH455 4.6 36.4 1.0 OG A:SER41 4.6 29.2 1.0 CD A:PRO38 4.6 26.2 1.0 CG2 A:ILE135 4.6 23.1 1.0 CB A:ILE37 4.7 25.8 1.0

Chlorine binding site 3 out of 12 in the Structure of M66I 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 M66I Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl306 b:25.2 occ:1.00 N A:ARG18 3.8 26.3 1.0 CD A:PRO17 3.8 21.2 1.0 CB A:ARG18 3.9 33.5 1.0 CB A:SER16 4.1 22.0 1.0 N A:PRO17 4.3 28.4 1.0 CG A:PRO17 4.3 28.7 1.0 OG A:SER16 4.4 29.7 1.0 CA A:ARG18 4.4 32.7 1.0 CB A:PRO17 4.5 26.9 1.0 C A:PRO17 4.7 27.1 1.0 CA A:PRO17 4.8 25.4 1.0 C A:SER16 4.9 26.6 1.0 CA A:SER16 5.0 27.3 1.0

Chlorine binding site 4 out of 12 in the Structure of M66I 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 M66I Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl307 b:28.1 occ:1.00 O A:GLY60 2.8 29.0 1.0 CD2 A:HIS62 3.3 28.8 1.0 O A:HOH464 3.4 24.2 1.0 NE2 A:HIS62 3.5 40.7 1.0 O A:HOH404 3.7 41.0 1.0 CG A:GLU28 3.8 30.3 1.0 CG1 A:VAL27 4.0 26.6 1.0 C A:GLY60 4.0 31.0 1.0 CA A:GLU28 4.1 30.1 1.0 N A:GLU28 4.3 24.1 1.0 O A:HOH426 4.3 24.6 1.0 N A:GLY60 4.5 27.2 1.0 CG1 A:VAL59 4.5 22.1 1.0 C A:VAL27 4.5 29.9 1.0 O A:VAL27 4.5 29.5 1.0 O A:HOH449 4.5 35.1 1.0 CB A:GLU28 4.5 31.6 1.0 CG A:HIS62 4.6 39.7 1.0 CA A:GLY60 4.7 23.1 1.0 CE1 A:HIS62 4.8 31.5 1.0 CB A:VAL27 4.8 25.7 1.0 CD A:GLU28 5.0 38.9 1.0

Chlorine binding site 5 out of 12 in the Structure of M66I 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 M66I Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl303 b:37.6 occ:1.00 CG B:ASN57 3.9 25.8 1.0 CB B:ASN57 3.9 30.0 1.0 ND2 B:ASN57 3.9 30.9 1.0 OD1 B:ASN57 4.3 29.6 1.0 CA B:ASN57 4.9 27.9 1.0 O B:ASN57 5.0 24.6 1.0 O B:HOH481 5.0 15.8 1.0

Chlorine binding site 6 out of 12 in the Structure of M66I 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 6 of Structure of M66I Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl304 b:12.3 occ:1.00 CA B:PRO38 3.9 25.3 1.0 CG2 B:ILE37 4.0 25.7 1.0 N B:PRO38 4.1 25.6 1.0 C B:ILE37 4.3 24.5 1.0 O B:ILE37 4.3 24.2 1.0 CB B:SER41 4.3 25.2 1.0 CG B:PRO38 4.3 26.6 1.0 CB B:PRO38 4.4 26.3 1.0 CD1 B:ILE135 4.4 22.4 1.0 CG2 B:ILE135 4.5 20.4 1.0 CD B:PRO38 4.6 25.8 1.0 OG B:SER41 4.7 27.7 1.0 O B:HOH450 4.7 35.5 1.0 CB B:ILE37 4.7 27.9 1.0

Chlorine binding site 7 out of 12 in the Structure of M66I 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 7 of Structure of M66I Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl305 b:28.1 occ:1.00 N B:ARG18 3.7 31.1 1.0 CD B:PRO17 3.8 29.0 1.0 CB B:ARG18 3.8 27.7 1.0 CB B:SER16 4.2 25.0 1.0 N B:PRO17 4.3 28.8 1.0 CG B:PRO17 4.3 33.5 1.0 OG B:SER16 4.4 31.4 1.0 CA B:ARG18 4.4 30.0 1.0 CB B:PRO17 4.5 28.9 1.0 C B:PRO17 4.7 30.5 1.0 CA B:PRO17 4.7 27.7 1.0 C B:SER16 4.9 27.2 1.0

Chlorine binding site 8 out of 12 in the Structure of M66I 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 8 of Structure of M66I Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl305 b:46.4 occ:1.00 O C:HOH503 2.4 43.7 1.0 CB C:ASN57 3.9 20.4 1.0 CG C:ASN57 3.9 32.7 1.0 ND2 C:ASN57 4.2 30.4 1.0 OD1 C:ASN57 4.3 29.4 1.0 O C:ASN57 4.7 28.5 1.0 CA C:ASN57 4.8 28.4 1.0 O C:HOH488 4.8 28.5 1.0

Chlorine binding site 9 out of 12 in the Structure of M66I 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 9 of Structure of M66I Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl306 b:28.4 occ:1.00 CD C:PRO17 3.7 32.4 1.0 N C:ARG18 3.8 28.3 1.0 CB C:ARG18 4.0 29.9 1.0 CB C:SER16 4.2 34.0 1.0 N C:PRO17 4.2 31.7 1.0 CG C:PRO17 4.2 31.6 1.0 CB C:PRO17 4.4 31.8 1.0 OG C:SER16 4.5 34.9 1.0 O C:HOH516 4.5 41.0 1.0 CA C:ARG18 4.5 29.4 1.0 C C:PRO17 4.7 29.9 1.0 CA C:PRO17 4.7 27.2 1.0 C C:SER16 4.9 35.7 1.0 CA C:SER16 4.9 33.6 1.0

Chlorine binding site 10 out of 12 in the Structure of M66I 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 10 of Structure of M66I Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl307 b:13.1 occ:1.00 CA C:PRO38 3.9 23.5 1.0 CG2 C:ILE37 3.9 28.9 1.0 N C:PRO38 4.0 26.5 1.0 O C:ILE37 4.1 25.0 1.0 C C:ILE37 4.2 20.4 1.0 CB C:SER41 4.3 20.3 1.0 CB C:PRO38 4.3 26.6 1.0 CD1 C:ILE135 4.4 23.2 1.0 CD C:PRO38 4.5 27.8 1.0 CG2 C:ILE135 4.5 24.1 1.0 CB C:ILE37 4.6 33.4 1.0 O C:HOH428 4.6 36.9 1.0 OG C:SER41 4.7 29.9 1.0

S.M.Bester, A.S.Annamalai, D.Adu-Ampratwum, R.Haney, J.R.Fuchs, M.Kvaratskhelia. Structural and Mechanistic Bases of Viral Resistance to Long-Acting Hiv-1 Capsid Inhibitor, Lenacapavir To Be Published.