Iodine in PDB 6b2k: E45A/R132T Mutant of Hiv-1 Capsid Protein

The structure of E45A/R132T Mutant of Hiv-1 Capsid Protein, PDB code: 6b2k 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)	47.00 / 2.00
Space group	P 6
Cell size a, b, c (Å), α, β, γ (°)	92.431, 92.431, 57.702, 90.00, 90.00, 120.00
R / Rfree (%)	19.7 / 21.8

The structure of E45A/R132T Mutant of Hiv-1 Capsid Protein also contains other interesting chemical elements:

Chlorine

(Cl)

7 atoms

The binding sites of Iodine atom in the E45A/R132T Mutant of Hiv-1 Capsid Protein (pdb code 6b2k). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 8 binding sites of Iodine where determined in the E45A/R132T Mutant of Hiv-1 Capsid Protein, PDB code: 6b2k:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iodine binding site 1 out of 8 in the E45A/R132T 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 E45A/R132T Mutant of Hiv-1 Capsid Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:I301 b:54.2 occ:1.00 N A:LYS158 3.8 55.4 1.0 CA A:GLY156 3.8 48.9 1.0 CD A:PRO157 3.9 58.5 1.0 N A:GLU159 3.9 50.0 1.0 C A:GLY156 4.0 50.8 1.0 N A:PRO157 4.1 54.5 1.0 C A:LYS158 4.1 50.8 1.0 CB A:GLU159 4.3 46.1 1.0 CA A:LYS158 4.3 58.5 1.0 CB A:LYS158 4.4 65.1 1.0 CA A:GLU159 4.4 47.5 1.0 CG A:PRO157 4.5 64.2 1.0 O A:GLY156 4.6 46.2 1.0 O A:LYS158 4.7 52.9 1.0 C A:PRO157 4.9 59.2 1.0 N A:GLY156 4.9 46.2 1.0 CA A:PRO157 5.0 59.1 1.0

Iodine binding site 2 out of 8 in the E45A/R132T 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 E45A/R132T Mutant of Hiv-1 Capsid Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:I302 b:48.0 occ:0.90 NH1 A:ARG173 3.8 42.0 1.0 CG A:LYS170 4.0 55.0 1.0 CD A:ARG173 4.0 37.3 1.0 OE1 A:GLU35 4.2 46.6 1.0 CE A:LYS170 4.5 70.2 1.0 CG A:PRO34 4.5 47.1 1.0 CD A:LYS170 4.5 60.9 1.0 CD A:PRO34 4.5 48.5 1.0 CA A:LYS170 4.6 41.4 1.0 CB A:LYS170 4.6 46.6 1.0 OG A:SER33 4.7 53.8 1.0 CZ A:ARG173 4.7 40.3 1.0 CB A:PRO34 4.7 44.8 1.0 NE A:ARG173 4.8 38.9 1.0 O A:LYS170 4.9 37.5 1.0

Iodine binding site 3 out of 8 in the E45A/R132T 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 E45A/R132T Mutant of Hiv-1 Capsid Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:I303 b:58.9 occ:0.50 OG A:SER41 3.5 43.3 0.5 CG2 A:ILE37 3.7 44.5 1.0 O A:HOH405 4.0 65.5 1.0 CA A:PRO38 4.0 40.5 1.0 N A:PRO38 4.0 40.2 1.0 CB A:SER41 4.2 44.1 0.5 O A:ILE37 4.2 42.4 1.0 CB A:SER41 4.3 44.2 0.5 C A:ILE37 4.3 40.1 1.0 CD A:PRO38 4.4 41.1 1.0 CD1 A:ILE135 4.5 45.6 0.5 CG A:PRO38 4.5 43.5 1.0 OG A:SER41 4.6 44.3 0.5 CB A:PRO38 4.6 41.3 1.0 CD1 A:ILE135 4.7 41.7 0.5 CG2 A:ILE135 4.8 42.8 0.5 CB A:ILE37 4.8 43.4 1.0 CG2 A:ILE135 4.8 44.7 0.5 O A:HOH421 5.0 54.5 1.0 CL A:CL311 5.0 71.1 1.0

Iodine binding site 4 out of 8 in the E45A/R132T 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 E45A/R132T Mutant of Hiv-1 Capsid Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:I304 b:66.6 occ:0.52 O A:HOH486 3.2 47.6 1.0 CG A:ARG18 3.6 62.3 1.0 CD A:ARG18 3.6 69.3 1.0 NH1 A:ARG18 3.9 80.1 1.0 CB A:ALA22 4.5 44.6 1.0 NE A:ARG18 4.6 76.3 1.0 CZ A:ARG18 4.7 79.7 1.0 O A:ARG18 4.8 47.8 1.0

Iodine binding site 5 out of 8 in the E45A/R132T 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 E45A/R132T Mutant of Hiv-1 Capsid Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:I305 b:59.4 occ:0.51 CG A:MET144 3.6 81.0 1.0 SD A:MET144 4.0 91.0 1.0 O A:MET144 4.4 62.3 1.0 CE1 A:TYR145 4.8 73.8 1.0 CB A:MET144 5.0 70.0 1.0

Iodine binding site 6 out of 8 in the E45A/R132T 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 E45A/R132T Mutant of Hiv-1 Capsid Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:I306 b:73.6 occ:0.38 CA A:ARG173 3.8 41.8 1.0 CG A:LEU172 3.8 47.2 1.0 N A:ARG173 3.8 41.2 1.0 CE A:LYS182 3.9 69.4 1.0 CD2 A:LEU172 4.0 47.1 1.0 C A:LEU172 4.1 43.3 1.0 CB A:ARG173 4.1 39.7 1.0 CD A:LYS182 4.2 66.4 1.0 CB A:LEU172 4.2 42.2 1.0 O A:LEU172 4.3 41.7 1.0 O A:TYR169 4.4 37.1 1.0 CG A:ARG173 4.6 40.5 1.0 CD1 A:TYR169 4.8 40.6 1.0 CA A:LEU172 4.8 42.6 1.0 O A:HOH439 5.0 54.5 1.0

Iodine binding site 7 out of 8 in the E45A/R132T 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 E45A/R132T Mutant of Hiv-1 Capsid Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:I307 b:83.0 occ:0.42 CB A:SER16 3.9 65.2 1.0 CD A:PRO17 4.0 70.5 1.0 N A:ARG18 4.2 53.0 1.0 CB A:ARG18 4.2 58.8 1.0 N A:PRO17 4.4 66.6 1.0 OG A:SER16 4.5 64.3 1.0 CG A:PRO17 4.5 74.3 1.0 CB A:PRO17 4.7 70.4 1.0 CA A:SER16 4.7 63.5 1.0 CA A:ARG18 4.8 53.0 1.0 C A:SER16 4.9 62.6 1.0 CA A:PRO17 5.0 67.1 1.0

Iodine binding site 8 out of 8 in the E45A/R132T 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 E45A/R132T Mutant of Hiv-1 Capsid Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:I308 b:0.9 occ:0.55 N A:ARG162 3.5 44.8 1.0 O A:HOH413 3.6 54.6 1.0 CB A:ARG162 3.6 52.0 1.0 N A:PHE161 3.8 45.0 1.0 CA A:GLN219 4.2 87.8 1.0 CA A:ARG162 4.2 46.1 1.0 CB A:PRO160 4.2 52.4 1.0 O A:CYS218 4.3 75.9 1.0 C A:PRO160 4.4 46.6 1.0 CB A:PHE161 4.4 43.7 1.0 CA A:PHE161 4.4 43.8 1.0 C A:PHE161 4.4 41.4 1.0 O A:GLN219 4.5 0.7 1.0 CG A:GLN219 4.5 90.9 1.0 CA A:PRO160 4.5 50.3 1.0 NE A:ARG162 4.7 69.3 1.0 N A:GLN219 4.8 77.5 1.0 C A:GLN219 4.8 97.7 1.0 C A:CYS218 4.9 72.3 1.0 CB A:GLN219 4.9 92.0 1.0 CG A:ARG162 4.9 57.9 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.