Iodine in PDB 6b2i: E45A Mutant of the Hiv-1 Capsid Protein

The structure of E45A Mutant of the Hiv-1 Capsid Protein, PDB code: 6b2i 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)	34.61 / 2.50
Space group	P 6
Cell size a, b, c (Å), α, β, γ (°)	87.608, 87.608, 56.474, 90.00, 90.00, 120.00
R / Rfree (%)	20.3 / 24.6

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

Chlorine

(Cl)

12 atoms

The binding sites of Iodine atom in the E45A Mutant of the Hiv-1 Capsid Protein (pdb code 6b2i). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 3 binding sites of Iodine where determined in the E45A Mutant of the Hiv-1 Capsid Protein, PDB code: 6b2i:
Jump to Iodine binding site number: 1; 2; 3;

Iodine binding site 1 out of 3 in the E45A 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 E45A Mutant of the Hiv-1 Capsid Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:I301 b:48.0 occ:0.69 OE1 A:GLU35 3.7 66.3 1.0 NH2 A:ARG173 3.7 50.6 1.0 CD A:ARG173 3.9 60.5 1.0 CG A:LYS170 4.2 70.2 1.0 CD A:PRO34 4.2 43.2 1.0 CG A:PRO34 4.3 44.6 1.0 CB A:PRO34 4.5 40.5 1.0 CZ A:ARG173 4.6 64.6 1.0 NE A:ARG173 4.7 65.2 1.0 CD A:GLU35 4.7 63.1 1.0 CB A:LYS170 4.7 58.3 1.0 CA A:LYS170 4.8 53.7 1.0 CD A:LYS170 4.8 87.3 1.0 CG A:ARG173 4.9 56.7 1.0 CB A:ARG173 5.0 56.9 1.0

Iodine binding site 2 out of 3 in the E45A 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 E45A Mutant of the Hiv-1 Capsid Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:I302 b:75.3 occ:0.58 CA A:PRO38 3.9 53.7 1.0 CG A:PRO38 4.0 54.7 1.0 CG2 A:ILE37 4.0 47.7 1.0 N A:PRO38 4.1 56.5 1.0 CB A:PRO38 4.2 58.7 1.0 O A:HOH427 4.3 42.7 1.0 CB A:SER41 4.4 70.2 1.0 O A:ILE37 4.4 41.5 1.0 C A:ILE37 4.4 53.7 1.0 CD A:PRO38 4.5 48.6 1.0 OG A:SER41 4.8 88.0 1.0 CL A:CL305 4.8 74.0 1.0 CG2 A:ILE135 4.8 47.0 1.0 CD1 A:ILE135 4.8 58.1 1.0 CB A:ILE37 5.0 55.2 1.0

Iodine binding site 3 out of 3 in the E45A 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 E45A Mutant of the Hiv-1 Capsid Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:I303 b:67.8 occ:0.26 O A:HOH448 3.3 71.6 1.0 N A:GLU128 3.6 59.9 1.0 CG A:GLU128 3.7 72.2 1.0 CE A:MET118 3.7 58.2 1.0 CA A:PRO125 3.7 63.2 1.0 CB A:PRO125 3.8 52.1 1.0 N A:GLY127 3.9 62.2 1.0 C A:PRO125 4.0 64.1 1.0 CG A:MET118 4.0 67.4 1.0 O A:HOH459 4.1 87.6 1.0 CA A:GLY127 4.1 60.3 1.0 CB A:GLU128 4.2 63.7 1.0 C A:GLY127 4.3 65.6 1.0 O A:PRO125 4.4 71.2 1.0 N A:VAL126 4.5 52.2 1.0 CA A:GLU128 4.5 59.1 1.0 CB A:MET118 4.5 65.0 1.0 SD A:MET118 4.6 72.1 1.0 CD A:GLU128 4.9 78.7 1.0 OE2 A:GLU128 5.0 79.1 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.