Iodine in PDB 2xh1: Crystal Structure of Human Kat II-Inhibitor Complex

All present enzymatic activity of Crystal Structure of Human Kat II-Inhibitor Complex:
2.6.1.39; 2.6.1.7;

The structure of Crystal Structure of Human Kat II-Inhibitor Complex, PDB code: 2xh1 was solved by F.Rossi, V.Casazza, S.Garavaglia, K.V.Sathyasaikumar, R.Schwarcz, S.I.Kojima, K.Okuwaki, S.I.Ono, Y.Kajii, M.Rizzi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.04 / 2.10
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	98.323, 152.857, 60.800, 90.00, 90.00, 90.00
R / Rfree (%)	18.814 / 24.123

The structure of Crystal Structure of Human Kat II-Inhibitor Complex also contains other interesting chemical elements:

Fluorine

(F)

2 atoms

The binding sites of Iodine atom in the Crystal Structure of Human Kat II-Inhibitor Complex (pdb code 2xh1). 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 Crystal Structure of Human Kat II-Inhibitor Complex, PDB code: 2xh1:

Iodine binding site 1 out of 1 in the Crystal Structure of Human Kat II-Inhibitor Complex


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of Human Kat II-Inhibitor Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:I1428 b:21.0 occ:1.00 NZ B:LYS123 3.5 26.5 1.0 NZ A:LYS123 3.5 26.0 1.0 NE2 A:GLN119 3.6 15.1 1.0 NE2 B:GLN119 3.6 16.1 1.0 O A:HOH2083 3.7 27.6 1.0 CE B:LYS123 3.7 26.2 1.0 O B:HOH2081 3.8 23.9 1.0 OG A:SER291 3.8 19.9 1.0 OG B:SER291 3.9 16.0 1.0 CB A:SER291 4.0 18.6 1.0 CB B:SER291 4.0 16.6 1.0 CG2 B:THR292 4.2 16.5 1.0 CG2 A:THR292 4.2 17.2 1.0 CG B:GLN119 4.3 12.1 1.0 CE A:LYS123 4.3 26.9 1.0 CG A:GLN119 4.3 12.3 1.0 CD A:GLN119 4.4 14.1 1.0 CD B:GLN119 4.5 16.3 1.0 N A:THR292 4.9 17.2 1.0 N B:THR292 4.9 14.9 1.0

F.Rossi, V.Casazza, S.Garavaglia, K.V.Sathyasaikumar, R.Schwarcz, S.I.Kojima, K.Okuwaki, S.I.Ono, Y.Kajii, M.Rizzi. Crystal Structure-Based Selective Targeting of the Pyridoxal 5'-Phsosphate Dependent Enzyme Kynurenine Aminotransferase II For Cognitive Enhancement J.Med.Chem. V. 53 5684 2010.
ISSN: ISSN 0022-2623
PubMed: 20684605
DOI: 10.1021/JM100464K