Bromine in PDB 2zn7: Crystal Structures of PTP1B-Inhibitor Complexes

All present enzymatic activity of Crystal Structures of PTP1B-Inhibitor Complexes:
3.1.3.48;

The structure of Crystal Structures of PTP1B-Inhibitor Complexes, PDB code: 2zn7 was solved by W.Xu, J.Wu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.70 / 2.10
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	88.490, 88.490, 104.900, 90.00, 90.00, 120.00
R / Rfree (%)	17.8 / 20.6

The binding sites of Bromine atom in the Crystal Structures of PTP1B-Inhibitor Complexes (pdb code 2zn7). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Crystal Structures of PTP1B-Inhibitor Complexes, PDB code: 2zn7:

Bromine binding site 1 out of 1 in the Crystal Structures of PTP1B-Inhibitor Complexes


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structures of PTP1B-Inhibitor Complexes within 5.0Å range: probe atom residue distance (Å) B Occ A:Br300 b:35.6 occ:1.00 BR1 A:410300 0.0 35.6 1.0 C15 A:410300 1.9 25.8 1.0 C16 A:410300 2.9 25.0 1.0 C14 A:410300 2.9 25.4 1.0 CG A:GLN262 3.0 35.2 1.0 O4 A:410300 3.2 22.9 1.0 CG1 A:ILE219 3.4 17.5 1.0 C13 A:410300 3.4 24.6 1.0 CD1 A:ILE219 3.4 21.3 1.0 O A:HOH306 3.5 14.8 1.0 C12 A:410300 3.5 25.9 1.0 CD A:GLN262 3.5 32.6 1.0 OE1 A:GLN262 3.6 36.2 1.0 C19 A:410300 3.8 21.8 1.0 C17 A:410300 4.1 24.7 1.0 CB A:ALA217 4.1 19.2 1.0 CB A:GLN262 4.3 24.2 1.0 S1 A:410300 4.4 24.6 1.0 C26 A:410300 4.5 27.2 1.0 NE2 A:GLN262 4.5 26.4 1.0 N A:GLY220 4.5 19.5 1.0 CE1 A:PHE182 4.5 27.6 1.0 C8 A:410300 4.6 25.7 1.0 C20 A:410300 4.6 21.5 1.0 CZ A:PHE182 4.6 23.5 1.0 C11 A:410300 4.7 26.6 1.0 CA A:GLY220 4.8 16.6 1.0 O6 A:410300 4.8 21.2 1.0 CB A:ILE219 4.9 15.8 1.0

Z.-K.Wan, J.Lee, R.Hotchandani, A.Moretto, E.Binnun, D.P.Wilson, S.J.Kirincich, B.C.Follows, M.Ipek, W.Xu, D.Joseph-Mccarthy, Y.-L.Zhang, M.Tam, D.V.Erbe, J.F.Tobin, W.Li, S.Y.Tam, T.S.Mansour, J.Wu. Structure-Based Optimization of Protein Tyrosine Phosphatase-1 B Inhibitors: Capturing Interactions with Arginine 24 Chemmedchem V. 3 1525 2008.
ISSN: ISSN 1860-7179
PubMed: 18798205
DOI: 10.1002/CMDC.200800188