Iodine in PDB 6owy: Spy H96L:IM7 K20PI-Phe Complex; Multiple Anomalous Datasets Contained Herein For Element Identification

The structure of Spy H96L:IM7 K20PI-Phe Complex; Multiple Anomalous Datasets Contained Herein For Element Identification, PDB code: 6owy was solved by S.Rocchio, R.Duman, K.El Omari, V.Mykhaylyk, Z.Yan, A.Wagner, J.C.A.Bardwell, S.Horowitz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.84 / 2.07
Space group	P 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	42.840, 42.840, 257.630, 90.00, 90.00, 90.00
R / Rfree (%)	22.7 / 27.3

The structure of Spy H96L:IM7 K20PI-Phe Complex; Multiple Anomalous Datasets Contained Herein For Element Identification also contains other interesting chemical elements:

Zinc	(Zn)	11 atoms
Chlorine	(Cl)	2 atoms

The binding sites of Iodine atom in the Spy H96L:IM7 K20PI-Phe Complex; Multiple Anomalous Datasets Contained Herein For Element Identification (pdb code 6owy). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was determined in the Spy H96L:IM7 K20PI-Phe Complex; Multiple Anomalous Datasets Contained Herein For Element Identification, PDB code: 6owy:

Iodine binding site 1 out of 1 in the Spy H96L:IM7 K20PI-Phe Complex; Multiple Anomalous Datasets Contained Herein For Element Identification


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Spy H96L:IM7 K20PI-Phe Complex; Multiple Anomalous Datasets Contained Herein For Element Identification within 5.0Å range: probe atom residue distance (Å) B Occ A:I214 b:55.0 occ:0.33 HB3 A:GLN100 3.1 48.0 1.0 HA A:GLN100 3.3 34.8 1.0 HG2 A:GLN100 3.3 84.0 1.0 HE1 A:PHE115 3.4 65.6 1.0 O A:GLN100 3.5 31.5 1.0 HB A:ILE103 3.7 56.0 1.0 CB A:GLN100 3.7 40.1 1.0 CE1 A:PHE115 3.8 54.8 1.0 HG21 B:ILE68 3.8 47.4 1.0 CA A:GLN100 3.9 29.1 1.0 CG A:GLN100 4.0 70.1 1.0 HZ A:PHE115 4.0 70.3 1.0 HG22 A:ILE103 4.1 47.2 1.0 C A:GLN100 4.1 25.9 1.0 CZ A:PHE115 4.1 58.7 1.0 HG21 A:ILE103 4.2 47.2 1.0 HB2 A:TYR104 4.2 44.8 1.0 H A:TYR104 4.2 46.6 1.0 HG3 A:GLN100 4.4 84.0 1.0 CG2 A:ILE103 4.4 39.4 1.0 CB A:ILE103 4.5 46.7 1.0 CG2 B:ILE68 4.5 39.6 1.0 HG22 B:ILE68 4.6 47.4 1.0 HG23 B:ILE68 4.6 47.4 1.0 N A:TYR104 4.6 38.9 1.0 CD1 A:PHE115 4.6 47.5 1.0 HB2 A:GLN100 4.6 48.0 1.0 HE21 A:GLN100 4.6 95.1 1.0 HD12 A:ILE103 4.7 55.0 1.0 HD13 B:ILE68 4.7 66.8 1.0 HD1 A:PHE115 4.8 56.9 1.0 HA A:TYR104 4.8 57.1 1.0

S.Rocchio, R.Duman, K.El Omari, V.Mykhaylyk, Z.Yan, A.Wagner, J.C.A.Bardwell, S.Horowitz. Identifying Dynamic, Partially Occupied Residues Using Anomalous Scattering To Be Published.