Chlorine in PDB 6b2h: P38A/T216I Mutant of the Hiv-1 Capsid Protein

The structure of P38A/T216I Mutant of the Hiv-1 Capsid Protein, PDB code: 6b2h was solved by A.T.Gres, K.A.Kirby, S.G.Sarafianos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.80 / 2.60
Space group	P 6
Cell size a, b, c (Å), α, β, γ (°)	92.242, 92.242, 57.735, 90.00, 90.00, 120.00
R / Rfree (%)	20 / 24.1

The structure of P38A/T216I Mutant of the Hiv-1 Capsid Protein also contains other interesting chemical elements:

Iodine

(I)

6 atoms

The binding sites of Chlorine atom in the P38A/T216I Mutant of the Hiv-1 Capsid Protein (pdb code 6b2h). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the P38A/T216I Mutant of the Hiv-1 Capsid Protein, PDB code: 6b2h:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the P38A/T216I Mutant of the Hiv-1 Capsid Protein


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of P38A/T216I Mutant of the Hiv-1 Capsid Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl307 b:0.7 occ:1.00 NH1 A:ARG18 3.2 0.8 1.0 CD A:ARG18 3.2 0.1 1.0 NE A:ARG18 3.8 0.2 1.0 CZ A:ARG18 3.8 0.9 1.0 CG A:ARG18 4.3 0.1 1.0 NH2 A:ARG18 5.0 0.3 1.0

Chlorine binding site 2 out of 6 in the P38A/T216I Mutant of the Hiv-1 Capsid Protein


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of P38A/T216I Mutant of the Hiv-1 Capsid Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl308 b:0.0 occ:1.00 CD2 A:TYR145 3.0 0.7 1.0 CE2 A:TYR145 3.1 0.4 1.0 CD2 A:PHE32 3.2 0.6 1.0 CE2 A:PHE32 3.9 0.7 1.0 CG A:TYR145 3.9 0.6 1.0 CZ A:TYR145 4.0 0.4 1.0 ND1 A:HIS62 4.1 76.7 1.0 CG A:PHE32 4.2 0.2 1.0 N A:PHE32 4.3 0.9 1.0 CB A:ALA31 4.3 0.6 1.0 CB A:PHE32 4.4 0.7 1.0 CB A:TYR145 4.6 0.8 1.0 CD1 A:TYR145 4.6 0.4 1.0 CG A:HIS62 4.6 74.6 1.0 CE1 A:HIS62 4.6 78.9 1.0 CB A:ALA65 4.7 70.0 1.0 CE1 A:TYR145 4.7 0.9 1.0 OH A:TYR145 4.7 0.4 1.0 C A:ALA31 4.8 0.7 1.0 CB A:HIS62 4.8 73.0 1.0 CA A:ALA31 4.9 0.8 1.0 CG2 A:ILE141 4.9 87.7 1.0 CA A:PHE32 5.0 0.7 1.0

Chlorine binding site 3 out of 6 in the P38A/T216I Mutant of the Hiv-1 Capsid Protein


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of P38A/T216I Mutant of the Hiv-1 Capsid Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl309 b:0.3 occ:1.00 NH2 A:ARG173 3.2 77.0 1.0 CZ A:ARG173 4.2 74.9 1.0 NE A:ARG173 4.2 73.8 1.0 CB A:ALA38 4.7 82.2 1.0 O A:HOH416 4.8 66.3 1.0 O A:PRO34 4.9 0.8 1.0

Chlorine binding site 4 out of 6 in the P38A/T216I Mutant of the Hiv-1 Capsid Protein


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of P38A/T216I Mutant of the Hiv-1 Capsid Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl310 b:0.3 occ:1.00 CG2 A:ILE124 4.0 0.9 1.0 CD A:PRO125 4.1 0.1 1.0 O A:HOH431 4.2 83.5 1.0 CG1 A:ILE124 4.3 0.7 1.0 CA A:ILE124 4.3 0.6 1.0 CB A:ILE124 4.4 0.9 1.0 CH2 A:TRP80 4.4 95.0 1.0 O A:HOH402 4.5 90.7 1.0 CD1 A:ILE129 4.7 94.9 1.0 O A:PRO123 4.9 0.0 1.0

Chlorine binding site 5 out of 6 in the P38A/T216I Mutant of the Hiv-1 Capsid Protein


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of P38A/T216I Mutant of the Hiv-1 Capsid Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl311 b:0.9 occ:1.00 NE A:ARG167 3.0 79.6 1.0 NH2 A:ARG167 3.5 83.6 1.0 CZ A:ARG167 3.7 81.2 1.0 CD1 A:ILE153 3.8 91.8 1.0 CB A:ARG167 3.8 74.0 1.0 CG A:ARG167 3.9 76.5 1.0 CD A:ARG167 4.0 78.1 1.0 OG1 A:THR171 4.6 72.4 1.0 CA A:ARG167 4.8 73.4 1.0 O A:ARG167 4.9 75.0 1.0

Chlorine binding site 6 out of 6 in the P38A/T216I Mutant of the Hiv-1 Capsid Protein


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of P38A/T216I Mutant of the Hiv-1 Capsid Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl312 b:0.1 occ:1.00 O A:HOH429 2.9 67.6 1.0

A.T.Gres, D.Liu, K.A.Kirby, S.G.Sarafianos. X-Ray Crystal Structures of P38A, P38A/T216I, E45A, and E45A/R132T Reveal the Structural Mechanism of Hiv-1 Capsid Stability To Be Published.