Iodine in PDB 4f4b: Structure of OSH4 with A Cholesterol Analog

The structure of Structure of OSH4 with A Cholesterol Analog, PDB code: 4f4b was solved by M.C.Koag, A.F.Monzingo, Y.Cheun, S.Lee, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.87
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	51.123, 65.397, 82.314, 96.56, 100.28, 95.91
R / Rfree (%)	21.4 / 27.1

The binding sites of Iodine atom in the Structure of OSH4 with A Cholesterol Analog (pdb code 4f4b). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the Structure of OSH4 with A Cholesterol Analog, PDB code: 4f4b:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in the Structure of OSH4 with A Cholesterol Analog


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Structure of OSH4 with A Cholesterol Analog within 5.0Å range: probe atom residue distance (Å) B Occ A:I1001 b:0.5 occ:1.00 I1 A:L391001 0.0 0.5 1.0 C26 A:L391001 2.2 94.0 1.0 CD1 A:ILE206 2.9 30.6 1.0 C25 A:L391001 3.0 67.7 1.0 C24 A:L391001 3.5 48.8 1.0 CG1 A:ILE206 3.7 27.7 1.0 C23 A:L391001 3.8 34.4 1.0 CE2 A:PHE171 4.3 19.2 1.0 CG2 A:ILE206 4.4 24.6 1.0 C27 A:L391001 4.4 59.5 1.0 CG2 A:ILE203 4.5 18.9 1.0 CZ A:PHE171 4.5 20.7 1.0 CB A:LEU177 4.6 17.8 1.0 CB A:ILE206 4.7 22.6 1.0 CD2 A:LEU177 4.8 17.2 1.0 CB A:ILE203 4.9 21.4 1.0

Iodine binding site 2 out of 2 in the Structure of OSH4 with A Cholesterol Analog


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Structure of OSH4 with A Cholesterol Analog within 5.0Å range: probe atom residue distance (Å) B Occ B:I1001 b:96.6 occ:1.00 I1 B:L391001 0.0 96.6 1.0 C26 B:L391001 2.2 56.0 1.0 CD1 B:ILE206 2.8 25.1 1.0 C25 B:L391001 3.2 44.3 1.0 C24 B:L391001 3.3 34.5 1.0 C27 B:L391001 3.7 40.5 1.0 C23 B:L391001 3.7 25.8 1.0 CG1 B:ILE206 3.8 27.1 1.0 CG2 B:ILE203 4.4 16.6 1.0 CG2 B:ILE206 4.4 25.4 1.0 CB B:PRO211 4.7 18.7 1.0 CD2 B:LEU177 4.7 20.3 1.0 CE2 B:PHE171 4.8 19.3 1.0 CB B:ILE206 4.8 22.3 1.0 CZ B:PHE13 4.8 23.4 1.0 CE2 B:PHE13 4.8 21.6 1.0 CB B:LEU177 4.9 19.9 1.0 CB B:ILE203 5.0 17.8 1.0

M.C.Koag, Y.Cheun, Y.Kou, H.Ouzon-Shubeita, K.Min, A.F.Monzingo, S.Lee. Synthesis and Structure of 16,22-Diketocholesterol Bound to Oxysterol-Binding Protein OSH4. Steroids V. 78 938 2013.
ISSN: ISSN 0039-128X
PubMed: 23756172
DOI: 10.1016/J.STEROIDS.2013.05.016