Iodine in PDB 6w2c: Anomalous Iodine Signal Reveals the Position of I-Paroxetine Complexed with the Serotonin Transporter at the Central Site

The structure of Anomalous Iodine Signal Reveals the Position of I-Paroxetine Complexed with the Serotonin Transporter at the Central Site, PDB code: 6w2c was solved by J.A.Coleman, V.Navratna, D.Yang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 6.30
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	126.990, 159.950, 140.970, 90.00, 90.00, 90.00
R / Rfree (%)	30.6 / 37

The binding sites of Iodine atom in the Anomalous Iodine Signal Reveals the Position of I-Paroxetine Complexed with the Serotonin Transporter at the Central Site (pdb code 6w2c). 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 Anomalous Iodine Signal Reveals the Position of I-Paroxetine Complexed with the Serotonin Transporter at the Central Site, PDB code: 6w2c:

Iodine binding site 1 out of 1 in the Anomalous Iodine Signal Reveals the Position of I-Paroxetine Complexed with the Serotonin Transporter at the Central Site


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Anomalous Iodine Signal Reveals the Position of I-Paroxetine Complexed with the Serotonin Transporter at the Central Site within 5.0Å range: probe atom residue distance (Å) B Occ A:I705 b:0.5 occ:1.01 I13 A:RFY705 0.0 0.5 1.0 C10 A:RFY705 2.1 0.2 1.0 CG2 A:VAL501 2.8 0.4 1.0 C11 A:RFY705 3.0 0.4 1.0 C09 A:RFY705 3.0 0.8 1.0 CB A:THR497 3.2 0.0 1.0 CD1 A:ILE172 3.3 0.8 1.0 CB A:VAL501 3.7 0.1 1.0 OG1 A:THR497 3.7 0.1 1.0 CG1 A:VAL501 4.1 0.1 1.0 CA A:THR497 4.1 0.7 1.0 O A:THR497 4.1 0.1 1.0 CG2 A:THR497 4.1 0.1 1.0 C A:THR497 4.2 0.8 1.0 CG2 A:ILE168 4.3 0.9 1.0 C12 A:RFY705 4.3 0.4 1.0 C08 A:RFY705 4.4 0.4 1.0 CG1 A:ILE172 4.4 0.5 1.0 CE1 A:PHE335 4.5 0.3 1.0 CE1 A:PHE341 4.7 0.0 1.0 CD1 A:PHE335 4.8 0.8 1.0 C07 A:RFY705 4.9 0.4 1.0 CD1 A:PHE341 5.0 0.0 1.0 N A:GLY498 5.0 0.1 1.0

J.A.Coleman, V.Navratna, D.Antermite, D.Yang, J.Bull, E.Gouaux. Chemical and Structural Investigation of the Paroxetine-Human Serotonin Transporter Complex To Be Published.