Chlorine in PDB 5otf: Mrck Beta in Complex with Bdp-00009066

All present enzymatic activity of Mrck Beta in Complex with Bdp-00009066:
2.7.11.1;

The structure of Mrck Beta in Complex with Bdp-00009066, PDB code: 5otf was solved by A.W.Schuettelkopf, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.77 / 2.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	115.190, 44.056, 91.845, 90.00, 107.60, 90.00
R / Rfree (%)	20 / 22.7

The binding sites of Chlorine atom in the Mrck Beta in Complex with Bdp-00009066 (pdb code 5otf). 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 Mrck Beta in Complex with Bdp-00009066, PDB code: 5otf:

Chlorine binding site 1 out of 1 in the Mrck Beta in Complex with Bdp-00009066


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Mrck Beta in Complex with Bdp-00009066 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:30.7 occ:0.50 N A:PHE391 3.3 27.9 1.0 CA A:GLY390 3.8 29.7 1.0 CB A:PHE391 3.9 26.9 1.0 C A:GLY390 4.0 28.4 1.0 CA A:PHE391 4.2 27.1 1.0 O A:PHE391 4.4 28.4 1.0 CD2 A:LEU46 4.5 30.0 1.0 C A:PHE391 4.8 27.8 1.0

M.Unbekandt, S.Belshaw, J.Bower, M.Clarke, J.Cordes, D.Crighton, D.R.Croft, M.J.Drysdale, M.J.Garnett, K.Gill, C.Gray, D.A.Greenhalgh, J.A.M.Hall, J.Konczal, S.Lilla, D.Mcarthur, P.Mcconnell, L.Mcdonald, L.Mcgarry, H.Mckinnon, C.Mcmenemy, M.Mezna, N.A.Morrice, J.Munro, G.Naylor, N.Rath, A.W.Schuttelkopf, M.Sime, M.F.Olson. Discovery of Potent and Selective Mrck Inhibitors with Therapeutic Effect on Skin Cancer. Cancer Res. V. 78 2096 2018.
ISSN: ESSN 1538-7445
PubMed: 29382705
DOI: 10.1158/0008-5472.CAN-17-2870