Iodine 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:

Chlorine

(Cl)

6 atoms

The binding sites of Iodine 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 Iodine atom.
In total 6 binding sites of Iodine where determined in the P38A/T216I Mutant of the Hiv-1 Capsid Protein, PDB code: 6b2h:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6;

Iodine 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 Iodine with other atoms in the I 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:I301 b:0.9 occ:0.95 N A:LYS158 3.6 0.7 1.0 N A:GLU159 3.8 93.5 1.0 CB A:LYS158 4.0 0.7 1.0 CD A:PRO157 4.0 0.3 1.0 C A:GLY156 4.0 0.5 1.0 N A:PRO157 4.0 0.6 1.0 CA A:LYS158 4.1 0.3 1.0 CA A:GLY156 4.1 0.8 1.0 C A:LYS158 4.1 97.6 1.0 CB A:GLU159 4.3 88.7 1.0 CA A:GLU159 4.3 90.2 1.0 CG A:PRO157 4.4 0.5 1.0 O A:GLY156 4.4 99.8 1.0 C A:PRO157 4.7 0.7 1.0 CA A:PRO157 4.8 0.9 1.0 CG A:LYS158 4.9 0.4 1.0 O A:LYS158 4.9 98.7 1.0

Iodine 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 Iodine with other atoms in the I 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:I302 b:89.8 occ:0.71 NH1 A:ARG173 3.7 75.9 1.0 OE1 A:GLU35 3.8 0.8 1.0 CD A:ARG173 4.0 72.8 1.0 CG A:LYS170 4.1 85.2 1.0 CZ A:ARG173 4.7 74.9 1.0 CD A:GLU35 4.7 0.7 1.0 CG A:PRO34 4.7 0.2 1.0 CD A:PRO34 4.8 0.1 1.0 CB A:LYS170 4.8 80.2 1.0 CA A:LYS170 4.8 75.8 1.0 NE A:ARG173 4.8 73.8 1.0 CB A:PRO34 4.8 0.2 1.0 CB A:ARG173 5.0 71.6 1.0 O A:LYS170 5.0 72.3 1.0

Iodine 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 Iodine with other atoms in the I 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:I303 b:0.4 occ:0.56 NE A:ARG18 3.9 0.2 1.0 NH2 A:ARG18 4.1 0.3 1.0 CB A:ARG18 4.4 0.1 1.0 CZ A:ARG18 4.4 0.9 1.0 O A:ARG18 4.6 0.3 1.0 CG A:ARG18 4.7 0.1 1.0 CB A:ALA22 4.7 99.5 1.0 CD A:ARG18 4.8 0.1 1.0

Iodine 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 Iodine with other atoms in the I 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:I304 b:0.4 occ:0.47 CA A:ARG173 3.8 72.9 1.0 CD2 A:LEU172 3.8 70.6 1.0 CD A:LYS182 3.8 75.5 1.0 CG A:LEU172 3.8 69.1 1.0 NZ A:LYS182 3.8 79.0 1.0 N A:ARG173 3.9 75.2 1.0 C A:LEU172 4.0 67.2 1.0 O A:LEU172 4.0 68.5 1.0 CB A:LEU172 4.3 67.2 1.0 CB A:ARG173 4.4 71.6 1.0 CE A:LYS182 4.4 76.0 1.0 CG A:ARG173 4.5 71.2 1.0 O A:TYR169 4.7 74.6 1.0 CA A:LEU172 4.8 66.8 1.0 C A:ARG173 4.9 74.4 1.0

Iodine 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 Iodine with other atoms in the I 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:I305 b:0.7 occ:0.60 O A:HOH426 2.9 68.0 1.0 CB A:PRO160 3.8 92.5 1.0 N A:PHE161 3.9 89.9 1.0 O A:CYS218 3.9 0.2 1.0 CA A:GLN219 4.0 0.5 1.0 N A:ARG162 4.1 88.3 1.0 CB A:ARG162 4.3 94.7 1.0 O A:GLN219 4.3 0.9 1.0 C A:PRO160 4.4 90.0 1.0 CA A:PRO160 4.4 90.6 1.0 C A:CYS218 4.6 0.6 1.0 O A:HOH410 4.6 81.0 1.0 CG A:GLN219 4.7 0.4 1.0 N A:GLN219 4.7 0.7 1.0 C A:GLN219 4.7 0.9 1.0 CB A:PHE161 4.7 88.1 1.0 CA A:PHE161 4.7 88.6 1.0 CA A:ARG162 4.9 89.2 1.0 CB A:GLN219 4.9 0.2 1.0 C A:PHE161 4.9 90.7 1.0

Iodine 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 Iodine with other atoms in the I 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:I306 b:0.9 occ:0.45 CG A:MET144 3.5 0.8 1.0 SD A:MET144 3.6 0.3 1.0 O A:MET144 4.3 0.5 1.0 C A:MET144 4.9 0.3 1.0 CB A:MET144 4.9 0.9 1.0 CE1 A:TYR145 5.0 0.9 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.