Iodine in PDB 2wpo: Hcmv Protease Inhibitor Complex

The structure of Hcmv Protease Inhibitor Complex, PDB code: 2wpo was solved by L.Tong, C.Qian, M.-J.Massariol, R.Deziel, C.Yoakim, L.Lagace, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	6.00 / 2.70
Space group	P 21 2 21
Cell size a, b, c (Å), α, β, γ (°)	107.800, 53.400, 212.400, 90.00, 90.00, 90.00
R / Rfree (%)	22.6 / 33.2

The binding sites of Iodine atom in the Hcmv Protease Inhibitor Complex (pdb code 2wpo). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 4 binding sites of Iodine where determined in the Hcmv Protease Inhibitor Complex, PDB code: 2wpo:
Jump to Iodine binding site number: 1; 2; 3; 4;

Iodine binding site 1 out of 4 in the Hcmv Protease Inhibitor Complex


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Hcmv Protease Inhibitor Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:I257 b:38.9 occ:1.00 I7 A:01E257 0.0 38.9 1.0 C7 A:01E257 2.1 37.0 1.0 C8 A:01E257 3.1 36.6 1.0 C6 A:01E257 3.1 35.9 1.0 CG2 A:ILE231 4.1 13.3 1.0 C9 A:01E257 4.4 34.2 1.0 C5 A:01E257 4.4 33.2 1.0 CG1 A:ILE231 4.7 23.8 1.0 C4 A:01E257 4.9 31.1 1.0 CB A:ILE231 4.9 19.9 1.0

Iodine binding site 2 out of 4 in the Hcmv Protease Inhibitor Complex


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Hcmv Protease Inhibitor Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:I257 b:41.5 occ:1.00 I7 B:01E257 0.0 41.5 1.0 C7 B:01E257 2.1 31.2 1.0 C6 B:01E257 3.0 27.0 1.0 C8 B:01E257 3.0 28.5 1.0 CG1 B:ILE231 4.3 16.7 1.0 C9 B:01E257 4.3 21.5 1.0 C5 B:01E257 4.3 24.9 1.0 CG2 B:ILE231 4.4 13.5 1.0 CB B:ILE231 4.8 17.2 1.0 H B:ARG232 4.8 22.0 1.0 CD1 B:ILE231 4.8 19.4 1.0 C4 B:01E257 4.9 21.5 1.0

Iodine binding site 3 out of 4 in the Hcmv Protease Inhibitor Complex


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Hcmv Protease Inhibitor Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:I257 b:49.5 occ:1.00 I7 C:01E257 0.0 49.5 1.0 C7 C:01E257 2.1 29.7 1.0 C6 C:01E257 3.0 28.1 1.0 C8 C:01E257 3.0 28.4 1.0 CG1 C:ILE231 4.2 4.7 1.0 C5 C:01E257 4.3 28.5 1.0 C9 C:01E257 4.3 23.1 1.0 CG2 C:ILE231 4.3 11.2 1.0 CD1 C:ILE231 4.7 11.4 1.0 CB C:ILE231 4.7 10.8 1.0 C4 C:01E257 4.8 23.5 1.0

Iodine binding site 4 out of 4 in the Hcmv Protease Inhibitor Complex


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Hcmv Protease Inhibitor Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:I257 b:32.0 occ:1.00 I7 D:01E257 0.0 32.0 1.0 C7 D:01E257 2.1 35.1 1.0 C6 D:01E257 3.1 34.8 1.0 C8 D:01E257 3.1 29.7 1.0 CG2 D:ILE231 4.0 16.5 1.0 C5 D:01E257 4.4 30.3 1.0 C9 D:01E257 4.4 25.5 1.0 CG1 D:ILE231 4.8 17.2 1.0 CB D:ILE231 4.9 17.1 1.0 C4 D:01E257 4.9 23.6 1.0

L.Tong, C.Qian, M.J.Massariol, R.Deziel, C.Yoakim, L.Lagace. Conserved Mode of Peptidomimetic Inhibition and Substrate Recognition of Human Cytomegalovirus Protease. Nat.Struct.Biol. V. 5 819 1998.
ISSN: ISSN 1072-8368
PubMed: 9731777
DOI: 10.1038/1860