Chlorine in PDB 6b2g: P38A Mutant of Hiv-1 Capsid Protein

The structure of P38A Mutant of Hiv-1 Capsid Protein, PDB code: 6b2g 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)	46.64 / 2.41
Space group	P 6
Cell size a, b, c (Å), α, β, γ (°)	92.139, 92.139, 57.481, 90.00, 90.00, 120.00
R / Rfree (%)	23.8 / 25.8

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

Iodine

(I)

8 atoms

The binding sites of Chlorine atom in the P38A Mutant of Hiv-1 Capsid Protein (pdb code 6b2g). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the P38A Mutant of Hiv-1 Capsid Protein, PDB code: 6b2g:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the P38A Mutant of 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 Mutant of Hiv-1 Capsid Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl309 b:97.8 occ:1.00 CD A:PRO17 3.4 94.0 1.0 CB A:SER16 3.8 86.6 1.0 CG A:ARG18 4.2 0.2 1.0 N A:PRO17 4.2 90.8 1.0 CD A:ARG18 4.3 0.3 1.0 CG A:PRO17 4.4 95.1 1.0 CA A:SER16 4.6 85.6 1.0 N A:ARG18 4.6 0.6 1.0 OG A:SER16 4.6 89.2 1.0 C A:SER16 4.8 88.2 1.0 CB A:ARG18 4.9 0.7 1.0 CB A:PRO17 4.9 95.5 1.0

Chlorine binding site 2 out of 5 in the P38A Mutant of 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 Mutant of Hiv-1 Capsid Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl310 b:0.3 occ:1.00 ND1 A:HIS62 2.9 73.1 1.0 CE2 A:TYR145 3.2 95.5 1.0 O A:HOH411 3.5 61.8 1.0 CE1 A:HIS62 3.8 74.0 1.0 CD2 A:PHE32 3.8 90.4 1.0 CZ A:TYR145 3.8 96.0 1.0 CD2 A:TYR145 3.8 95.0 1.0 CG A:HIS62 3.9 72.0 1.0 OH A:TYR145 4.0 96.6 1.0 CE2 A:PHE32 4.0 88.4 1.0 CB A:HIS62 4.1 68.9 1.0 CA A:HIS62 4.5 68.1 1.0 O A:HOH414 4.6 93.0 1.0 CE1 A:TYR145 4.8 96.0 1.0 CG A:TYR145 4.8 95.6 1.0 NE2 A:HIS62 4.9 72.6 1.0 CB A:ALA65 4.9 59.0 1.0 CD2 A:HIS62 5.0 70.7 1.0

Chlorine binding site 3 out of 5 in the P38A Mutant of 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 Mutant of Hiv-1 Capsid Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl311 b:0.1 occ:1.00 NE A:ARG167 3.3 87.5 1.0 CD1 A:ILE153 3.9 77.6 1.0 CB A:ARG167 4.0 77.8 1.0 CG A:ARG167 4.0 85.0 1.0 NH2 A:ARG167 4.1 88.8 1.0 CD A:ARG167 4.1 86.1 1.0 CZ A:ARG167 4.1 87.9 1.0 OG1 A:THR171 4.6 78.0 1.0 CA A:ARG167 4.8 74.4 1.0 CG2 A:THR148 5.0 0.2 1.0

Chlorine binding site 4 out of 5 in the P38A Mutant of 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 Mutant of Hiv-1 Capsid Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl312 b:0.9 occ:0.93 O A:HOH422 2.5 71.2 1.0 NH2 A:ARG173 2.8 70.9 1.0 NE A:ARG173 3.6 71.8 1.0 CZ A:ARG173 3.7 73.4 1.0 CB A:ALA38 4.5 76.2 1.0 O A:PRO34 4.9 84.7 1.0 I A:IOD307 4.9 0.7 0.5 NH1 A:ARG173 4.9 78.0 1.0

Chlorine binding site 5 out of 5 in the P38A Mutant of 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 Mutant of Hiv-1 Capsid Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl313 b:0.6 occ:1.00 CD A:PRO125 4.2 0.0 1.0 CG2 A:ILE124 4.3 0.8 1.0 CA A:ILE124 4.5 0.5 1.0 CH2 A:TRP80 4.6 83.1 1.0 CG1 A:ILE124 4.7 0.1 1.0 CB A:ILE124 4.7 0.4 1.0 O A:PRO123 4.8 0.1 1.0 CD1 A:ILE129 4.9 74.9 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.