Chlorine in PDB 4qp2: Crystal Structure of Erks in Complex with 5-Chlorobenzo[D]Oxazol-2- Amine

All present enzymatic activity of Crystal Structure of Erks in Complex with 5-Chlorobenzo[D]Oxazol-2- Amine:
2.7.11.24;

The structure of Crystal Structure of Erks in Complex with 5-Chlorobenzo[D]Oxazol-2- Amine, PDB code: 4qp2 was solved by J.Yin, W.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.36 / 2.23
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	82.724, 82.724, 277.554, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 23.4

The binding sites of Chlorine atom in the Crystal Structure of Erks in Complex with 5-Chlorobenzo[D]Oxazol-2- Amine (pdb code 4qp2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Erks in Complex with 5-Chlorobenzo[D]Oxazol-2- Amine, PDB code: 4qp2:

Chlorine binding site 1 out of 1 in the Crystal Structure of Erks in Complex with 5-Chlorobenzo[D]Oxazol-2- Amine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Erks in Complex with 5-Chlorobenzo[D]Oxazol-2- Amine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:77.5 occ:1.00 CL7 A:36R401 0.0 77.5 1.0 C6 A:36R401 1.7 66.7 1.0 C5 A:36R401 2.7 58.9 1.0 C1 A:36R401 2.7 63.6 1.0 C5 A:IMD402 3.4 78.6 1.0 C4 A:IMD402 3.6 80.1 1.0 CD1 A:ILE31 3.6 46.5 1.0 CB A:ILE31 3.7 61.8 1.0 CG1 A:ILE31 3.8 58.5 1.0 N1 A:IMD402 3.9 78.4 1.0 NZ A:LYS114 3.9 52.1 1.0 C2 A:36R401 4.0 60.7 1.0 C4 A:36R401 4.0 50.9 1.0 N3 A:IMD402 4.0 85.7 1.0 O A:ILE31 4.2 92.5 1.0 C2 A:IMD402 4.2 86.0 1.0 C A:ILE31 4.5 83.6 1.0 C3 A:36R401 4.5 60.5 1.0 CG2 A:ILE31 4.5 62.2 1.0 O A:MET108 4.7 35.6 1.0 O A:GLU109 4.7 41.6 1.0 CA A:ILE31 4.7 68.7 1.0 O A:HOH642 5.0 54.2 1.0

D.J.Burdick, S.Wang, C.Heise, B.Pan, J.Drummond, J.Yin, L.Goeser, S.Magnuson, J.Blaney, J.Moffat, W.Wang, H.Chen. Fragment-Based Discovery of Potent ERK2 Pyrrolopyrazine Inhibitors. Bioorg.Med.Chem.Lett. V. 25 4728 2015.
ISSN: ISSN 0960-894X
PubMed: 26338362
DOI: 10.1016/J.BMCL.2015.08.048