Iodine in PDB 6ay9: Structure of the Native Full-Length Hiv-1 Capsid Protein in Complex with CPSF6 Peptide

The structure of Structure of the Native Full-Length Hiv-1 Capsid Protein in Complex with CPSF6 Peptide, PDB code: 6ay9 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)	47.03 / 2.50
Space group	P 6
Cell size a, b, c (Å), α, β, γ (°)	92.675, 92.675, 58.042, 90.00, 90.00, 120.00
R / Rfree (%)	24.2 / 27.3

The structure of Structure of the Native Full-Length Hiv-1 Capsid Protein in Complex with CPSF6 Peptide also contains other interesting chemical elements:

Chlorine

(Cl)

4 atoms

The binding sites of Iodine atom in the Structure of the Native Full-Length Hiv-1 Capsid Protein in Complex with CPSF6 Peptide (pdb code 6ay9). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 6 binding sites of Iodine where determined in the Structure of the Native Full-Length Hiv-1 Capsid Protein in Complex with CPSF6 Peptide, PDB code: 6ay9:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6;

Iodine binding site 1 out of 6 in the Structure of the Native Full-Length Hiv-1 Capsid Protein in Complex with CPSF6 Peptide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Structure of the Native Full-Length Hiv-1 Capsid Protein in Complex with CPSF6 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:I301 b:60.1 occ:0.89 NH1 A:ARG173 3.5 50.2 1.0 CD A:LYS170 3.9 72.8 1.0 CD A:ARG173 3.9 43.8 1.0 OE1 A:GLU35 4.1 98.4 1.0 NZ A:LYS170 4.2 80.5 1.0 CG A:PRO34 4.3 66.6 1.0 CB A:PRO34 4.5 64.8 1.0 CZ A:ARG173 4.5 51.6 1.0 CD A:PRO34 4.5 59.2 1.0 CE A:LYS170 4.7 77.8 1.0 NE A:ARG173 4.7 46.6 1.0 OG A:SER33 4.8 81.3 1.0 CA A:LYS170 4.9 62.9 1.0 O A:LYS170 4.9 60.6 1.0

Iodine binding site 2 out of 6 in the Structure of the Native Full-Length Hiv-1 Capsid Protein in Complex with CPSF6 Peptide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Structure of the Native Full-Length Hiv-1 Capsid Protein in Complex with CPSF6 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:I302 b:73.2 occ:0.87 CD A:PRO157 3.7 79.3 1.0 CA A:GLY156 3.8 72.3 1.0 N A:LYS158 3.8 90.8 1.0 N A:GLU159 3.8 82.3 1.0 N A:PRO157 4.0 78.0 1.0 C A:GLY156 4.0 77.5 1.0 C A:LYS158 4.1 89.8 1.0 CB A:GLU159 4.1 68.2 1.0 CG A:PRO157 4.3 77.4 1.0 CA A:LYS158 4.3 94.5 1.0 CA A:GLU159 4.4 77.0 1.0 CB A:LYS158 4.6 0.9 1.0 O A:LYS158 4.7 89.3 1.0 C A:PRO157 4.8 89.4 1.0 O A:GLY156 4.8 85.0 1.0 N A:GLY156 4.8 75.1 1.0 CA A:PRO157 4.9 81.7 1.0

Iodine binding site 3 out of 6 in the Structure of the Native Full-Length Hiv-1 Capsid Protein in Complex with CPSF6 Peptide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Structure of the Native Full-Length Hiv-1 Capsid Protein in Complex with CPSF6 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:I303 b:0.4 occ:0.70 CG2 A:ILE37 3.8 52.5 1.0 CL A:CL310 4.0 85.3 1.0 CA A:PRO38 4.1 60.6 1.0 N A:PRO38 4.2 57.2 1.0 CB A:SER41 4.3 59.6 1.0 O A:ILE37 4.3 50.0 1.0 C A:ILE37 4.4 51.1 1.0 CG A:PRO38 4.6 72.3 1.0 OG A:SER41 4.6 64.5 1.0 CD1 A:ILE135 4.6 58.6 1.0 CB A:PRO38 4.7 63.3 1.0 CD A:PRO38 4.7 64.3 1.0 CB A:ILE37 4.9 52.9 1.0 CG2 A:ILE135 4.9 41.3 1.0

Iodine binding site 4 out of 6 in the Structure of the Native Full-Length Hiv-1 Capsid Protein in Complex with CPSF6 Peptide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Structure of the Native Full-Length Hiv-1 Capsid Protein in Complex with CPSF6 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:I304 b:0.6 occ:0.66 NH2 A:ARG18 3.5 0.6 1.0 NE A:ARG18 3.8 0.8 1.0 CZ A:ARG18 4.1 0.3 1.0 O A:ARG18 4.2 52.6 1.0 CB A:ALA22 4.3 44.4 1.0 CB A:ARG18 4.5 71.5 1.0

Iodine binding site 5 out of 6 in the Structure of the Native Full-Length Hiv-1 Capsid Protein in Complex with CPSF6 Peptide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Structure of the Native Full-Length Hiv-1 Capsid Protein in Complex with CPSF6 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:I305 b:69.1 occ:0.47 CE1 A:TYR145 3.7 98.0 1.0 CE A:MET144 3.9 0.2 1.0 CD1 A:TYR145 4.0 94.1 1.0 CG A:MET144 4.3 89.3 1.0 O A:MET144 4.5 72.8 1.0 SD A:MET144 4.7 0.6 1.0 CZ A:TYR145 4.8 99.5 1.0

Iodine binding site 6 out of 6 in the Structure of the Native Full-Length Hiv-1 Capsid Protein in Complex with CPSF6 Peptide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Structure of the Native Full-Length Hiv-1 Capsid Protein in Complex with CPSF6 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:I306 b:0.3 occ:1.00 CD A:ARG18 3.7 91.8 1.0 NE A:ARG18 3.9 0.8 1.0 CG A:ARG18 4.5 79.4 1.0 CZ A:ARG18 4.6 0.3 1.0 NH1 A:ARG18 5.0 0.8 1.0

A.T.Gres, K.A.Kirby, S.G.Sarafianos. Characterization of Hiv-1 Capsid Interactions with Host Cell Factors To Be Published.