Iodine in PDB 3l72: Chicken Cytochrome BC1 Complex with Kresoxym-I-Dimethyl Bound

All present enzymatic activity of Chicken Cytochrome BC1 Complex with Kresoxym-I-Dimethyl Bound:
1.10.2.2;

The structure of Chicken Cytochrome BC1 Complex with Kresoxym-I-Dimethyl Bound, PDB code: 3l72 was solved by L.Huang, Z.Zhang, E.A.Berry, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.93 / 3.06
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	172.614, 181.548, 241.033, 90.00, 90.00, 90.00
R / Rfree (%)	26.4 / 29.4

The structure of Chicken Cytochrome BC1 Complex with Kresoxym-I-Dimethyl Bound also contains other interesting chemical elements:

Iron

(Fe)

10 atoms

The binding sites of Iodine atom in the Chicken Cytochrome BC1 Complex with Kresoxym-I-Dimethyl Bound (pdb code 3l72). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the Chicken Cytochrome BC1 Complex with Kresoxym-I-Dimethyl Bound, PDB code: 3l72:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in the Chicken Cytochrome BC1 Complex with Kresoxym-I-Dimethyl Bound


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Chicken Cytochrome BC1 Complex with Kresoxym-I-Dimethyl Bound within 5.0Å range: probe atom residue distance (Å) B Occ C:I2001 b:54.6 occ:1.00 I1 C:IKR2001 0.0 54.6 1.0 C1 C:IKR2001 2.0 44.6 1.0 CE C:MET125 3.0 40.9 1.0 C2 C:IKR2001 3.0 43.4 1.0 C6 C:IKR2001 3.0 42.4 1.0 C40 C:IKR2001 3.4 41.2 1.0 CE2 C:PHE275 4.0 41.7 1.0 SD C:MET125 4.0 43.1 1.0 CD2 C:PHE275 4.2 39.8 1.0 C3 C:IKR2001 4.3 40.8 1.0 C5 C:IKR2001 4.3 39.5 1.0 CB C:MET125 4.5 36.2 1.0 CD1 C:LEU295 4.6 46.1 1.0 CZ C:PHE275 4.8 39.1 1.0 CG C:MET125 4.8 40.5 1.0 CB C:ALA278 4.8 35.4 1.0 C4 C:IKR2001 4.8 40.4 1.0

Iodine binding site 2 out of 2 in the Chicken Cytochrome BC1 Complex with Kresoxym-I-Dimethyl Bound


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Chicken Cytochrome BC1 Complex with Kresoxym-I-Dimethyl Bound within 5.0Å range: probe atom residue distance (Å) B Occ P:I3001 b:78.2 occ:1.00 I1 P:IKR3001 0.0 78.2 1.0 C1 P:IKR3001 2.1 76.1 1.0 C2 P:IKR3001 3.0 75.8 1.0 C6 P:IKR3001 3.0 76.2 1.0 CE P:MET125 3.0 63.2 1.0 C40 P:IKR3001 3.4 76.3 1.0 CE2 P:PHE275 4.0 60.9 1.0 SD P:MET125 4.0 64.5 1.0 CD2 P:PHE275 4.2 60.4 1.0 C3 P:IKR3001 4.3 75.9 1.0 C5 P:IKR3001 4.3 75.5 1.0 CB P:MET125 4.5 52.8 1.0 CD1 P:LEU295 4.6 64.3 1.0 CG P:MET125 4.8 59.2 1.0 CZ P:PHE275 4.8 61.7 1.0 C4 P:IKR3001 4.9 75.3 1.0 CB P:ALA278 4.9 65.3 1.0 CG2 P:VAL299 5.0 56.9 1.0

L.Huang, E.A.Berry. Famoxadone and Related Inhibitors Bind Like Methoxy Acrylate Inhibitors in the Qo Site of the BC1 Compl and Fix the Rieske Iron-Sulfur Protein in A Positio Close to But Distinct From That Seen with Stigmatellin and Other "Distal" Qo Inhibitors. To Be Published.