Iodine in PDB 6pu1: Cysteine Stabilized Hexameric Hiv-1 Ca in Complex with SEC24C Peptide

The structure of Cysteine Stabilized Hexameric Hiv-1 Ca in Complex with SEC24C Peptide, PDB code: 6pu1 was solved by J.J.Lindenberger, M.Kvaratskhelia, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.00 / 2.28
Space group	P 6
Cell size a, b, c (Å), α, β, γ (°)	92.58, 92.58, 58.019, 90, 90, 120
R / Rfree (%)	23.2 / 27.2

The structure of Cysteine Stabilized Hexameric Hiv-1 Ca in Complex with SEC24C Peptide also contains other interesting chemical elements:

Chlorine

(Cl)

3 atoms

The binding sites of Iodine atom in the Cysteine Stabilized Hexameric Hiv-1 Ca in Complex with SEC24C Peptide (pdb code 6pu1). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 3 binding sites of Iodine where determined in the Cysteine Stabilized Hexameric Hiv-1 Ca in Complex with SEC24C Peptide, PDB code: 6pu1:
Jump to Iodine binding site number: 1; 2; 3;

Iodine binding site 1 out of 3 in the Cysteine Stabilized Hexameric Hiv-1 Ca in Complex with SEC24C Peptide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Cysteine Stabilized Hexameric Hiv-1 Ca in Complex with SEC24C Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:I301 b:82.0 occ:1.00 NH1 A:ARG173 3.7 51.0 1.0 CG A:LYS170 3.8 59.8 1.0 CD A:ARG173 4.0 53.7 1.0 OE1 A:GLU35 4.1 68.4 1.0 CB A:LYS170 4.5 59.5 1.0 CG A:PRO34 4.5 62.3 1.0 CD A:LYS170 4.5 71.8 1.0 CA A:LYS170 4.6 55.1 1.0 CZ A:ARG173 4.6 48.6 1.0 CD A:PRO34 4.6 60.3 1.0 NE A:ARG173 4.7 52.4 1.0 CE A:LYS170 4.7 73.3 1.0 CB A:PRO34 4.8 61.7 1.0 O A:LYS170 4.8 56.1 1.0

Iodine binding site 2 out of 3 in the Cysteine Stabilized Hexameric Hiv-1 Ca in Complex with SEC24C Peptide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Cysteine Stabilized Hexameric Hiv-1 Ca in Complex with SEC24C Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:I302 b:80.1 occ:1.00 N A:ALA92 3.8 90.7 1.0 CB A:GLN95 4.1 117.0 1.0 CB A:ALA92 4.2 90.7 1.0 CG2 A:ILE91 4.4 74.6 1.0 CA A:ILE91 4.4 83.0 1.0 CG A:GLN95 4.4 124.3 1.0 CA A:ALA92 4.6 92.3 1.0 C A:ILE91 4.6 87.3 1.0 CD1 A:ILE91 4.7 71.0 1.0 O A:MET96 4.8 79.7 1.0 O A:PRO90 4.8 89.2 1.0 CB A:ILE91 5.0 76.3 1.0

Iodine binding site 3 out of 3 in the Cysteine Stabilized Hexameric Hiv-1 Ca in Complex with SEC24C Peptide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Cysteine Stabilized Hexameric Hiv-1 Ca in Complex with SEC24C Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:I305 b:91.9 occ:1.00 NE A:ARG162 3.8 72.5 1.0 OE1 A:GLN219 4.0 111.2 1.0 NH2 A:ARG162 4.1 77.2 1.0 CD A:GLN219 4.3 112.0 1.0 O A:MET215 4.3 70.4 1.0 CG A:GLN219 4.4 106.1 1.0 CB A:ARG162 4.4 62.3 1.0 CZ A:ARG162 4.4 75.7 1.0 CB A:MET215 4.5 70.1 1.0 CG A:ARG162 4.6 59.0 1.0 CE A:MET215 4.7 69.0 1.0 C A:MET215 4.8 76.5 1.0 CD A:ARG162 4.8 63.5 1.0

J.J.Lindenberger, M.Kvaratskhelia. Cysteine Stabilized Hexameric Hiv-1 Ca in Complex with SEC24C Peptide To Be Published.