Iodine 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:

Chlorine

(Cl)

5 atoms

The binding sites of Iodine atom in the P38A Mutant of Hiv-1 Capsid Protein (pdb code 6b2g). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 8 binding sites of Iodine where determined in the P38A Mutant of Hiv-1 Capsid Protein, PDB code: 6b2g:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iodine binding site 1 out of 8 in the P38A Mutant of 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 Mutant of Hiv-1 Capsid Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:I301 b:77.3 occ:0.76 N A:GLU159 3.7 90.3 1.0 N A:LYS158 3.7 0.7 1.0 CD A:PRO157 3.7 0.5 1.0 CA A:GLY156 3.8 97.2 1.0 N A:PRO157 4.0 0.6 1.0 C A:LYS158 4.0 96.0 1.0 C A:GLY156 4.0 98.9 1.0 CB A:GLU159 4.2 79.9 1.0 CA A:LYS158 4.2 0.6 1.0 CB A:LYS158 4.2 0.8 1.0 CA A:GLU159 4.3 84.9 1.0 CG A:PRO157 4.3 0.5 1.0 C A:PRO157 4.7 0.9 1.0 O A:LYS158 4.8 95.1 1.0 O A:GLY156 4.8 98.4 1.0 CA A:PRO157 4.9 0.2 1.0 N A:GLY156 4.9 94.7 1.0

Iodine binding site 2 out of 8 in the P38A Mutant of 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 Mutant of Hiv-1 Capsid Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:I302 b:82.4 occ:0.82 NH1 A:ARG173 3.8 78.0 1.0 OE1 A:GLU35 3.8 0.0 1.0 CD A:ARG173 4.1 72.1 1.0 CG A:LYS170 4.4 90.1 1.0 NZ A:LYS170 4.6 0.7 1.0 CZ A:ARG173 4.8 73.4 1.0 CA A:LYS170 4.8 78.0 1.0 NE A:ARG173 4.9 71.8 1.0 CD A:GLU35 4.9 0.4 1.0 CB A:LYS170 4.9 84.9 1.0 O A:LYS170 4.9 74.2 1.0 CD A:PRO34 5.0 80.6 1.0 CG A:PRO34 5.0 80.9 1.0

Iodine binding site 3 out of 8 in the P38A Mutant of 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 Mutant of Hiv-1 Capsid Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:I303 b:0.2 occ:0.42 CA A:ARG173 3.8 67.1 1.0 CG A:LEU172 3.8 60.2 1.0 N A:ARG173 3.9 68.2 1.0 NZ A:LYS182 4.0 72.3 1.0 O A:LEU172 4.0 63.4 1.0 C A:LEU172 4.1 66.6 1.0 CD A:LYS182 4.1 71.6 1.0 CD2 A:LEU172 4.1 58.9 1.0 CB A:ARG173 4.3 70.8 1.0 CB A:LEU172 4.4 63.9 1.0 CE A:LYS182 4.5 71.8 1.0 CG A:ARG173 4.6 70.3 1.0 O A:TYR169 4.9 67.0 1.0 CA A:LEU172 4.9 63.8 1.0 CD1 A:LEU172 5.0 58.3 1.0 C A:ARG173 5.0 65.9 1.0

Iodine binding site 4 out of 8 in the P38A Mutant of 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 Mutant of Hiv-1 Capsid Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:I304 b:0.6 occ:0.41 NH2 A:ARG18 3.4 0.8 1.0 NE A:ARG18 3.7 0.3 1.0 CZ A:ARG18 4.0 0.5 1.0 O A:ARG18 4.3 0.0 1.0 CB A:ALA22 4.5 90.8 1.0 CB A:ARG18 4.5 0.7 1.0 CD A:ARG18 4.9 0.3 1.0

Iodine binding site 5 out of 8 in the P38A Mutant of 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 Mutant of Hiv-1 Capsid Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:I305 b:0.9 occ:0.48 CG A:MET144 3.7 100.0 1.0 SD A:MET144 4.0 0.3 1.0 O A:MET144 4.3 98.7 1.0 C A:MET144 5.0 98.2 1.0

Iodine binding site 6 out of 8 in the P38A Mutant of 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 Mutant of Hiv-1 Capsid Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:I306 b:0.4 occ:0.44 ND2 A:ASN21 3.4 0.2 1.0 CB A:ASN21 3.7 0.3 1.0 CA A:ASN21 3.8 97.8 1.0 CG A:ASN21 4.0 0.9 1.0 N A:ASN21 4.1 93.2 1.0 O A:PRO17 4.4 0.4 1.0 C A:LEU20 4.8 88.6 1.0 CB A:LEU20 5.0 85.1 1.0

Iodine binding site 7 out of 8 in the P38A Mutant of Hiv-1 Capsid Protein


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of P38A Mutant of Hiv-1 Capsid Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:I307 b:0.7 occ:0.51 OG A:SER41 3.4 79.0 0.5 CB A:SER41 4.0 81.7 0.5 CB A:SER41 4.0 81.6 0.5 O A:HOH422 4.2 71.2 1.0 CA A:ALA38 4.3 73.4 1.0 CG2 A:ILE37 4.3 70.0 1.0 OG A:SER41 4.4 81.5 0.5 O A:ILE37 4.4 71.4 1.0 N A:ALA38 4.5 73.2 1.0 C A:ILE37 4.6 72.6 1.0 CD1 A:ILE135 4.7 73.2 1.0 CB A:ALA38 4.9 76.2 1.0 CL A:CL312 4.9 0.9 0.9

Iodine binding site 8 out of 8 in the P38A Mutant of Hiv-1 Capsid Protein


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of P38A Mutant of Hiv-1 Capsid Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:I308 b:0.5 occ:0.50 N A:ARG162 3.6 86.6 1.0 CB A:ARG162 3.8 98.5 1.0 N A:PHE161 3.9 82.5 1.0 O A:CYS218 4.0 0.8 1.0 CA A:GLN219 4.1 0.7 1.0 O A:GLN219 4.1 0.8 1.0 NH2 A:ARG162 4.1 0.5 1.0 CB A:PRO160 4.2 81.0 1.0 CA A:ARG162 4.3 90.8 1.0 CB A:PHE161 4.4 76.0 1.0 C A:PRO160 4.5 78.8 1.0 CA A:PHE161 4.5 81.5 1.0 C A:PHE161 4.5 82.7 1.0 C A:GLN219 4.5 0.4 1.0 CA A:PRO160 4.6 80.4 1.0 C A:CYS218 4.7 0.6 1.0 CG A:GLN219 4.7 0.2 1.0 N A:GLN219 4.8 0.6 1.0 CB A:GLN219 4.9 0.8 1.0 O A:MET215 4.9 0.8 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.