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

Protein crystallography data

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

Iodine Binding Sites:

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 4f4b

Go back to Iodine Binding Sites List in 4f4b
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 4f4b

Go back to Iodine Binding Sites List in 4f4b
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

Reference:

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
Page generated: Sun Dec 13 19:32:34 2020

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