Chlorine in PDB 3zlx: Crystal Structure of MEK1 in Complex with Fragment 18

All present enzymatic activity of Crystal Structure of MEK1 in Complex with Fragment 18:
2.7.12.2;

The structure of Crystal Structure of MEK1 in Complex with Fragment 18, PDB code: 3zlx was solved by K.Amaning, M.Lowinsky, F.Vallee, V.Steier, C.Marcireau, A.Ugolini, C.Delorme, G.Mccort, C.Andouche, S.Vougier, S.Llopart, N.Halland, A.Rak, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.49 / 2.20
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	76.930, 76.930, 221.757, 90.00, 90.00, 120.00
R / Rfree (%)	20.4 / 23.6

The binding sites of Chlorine atom in the Crystal Structure of MEK1 in Complex with Fragment 18 (pdb code 3zlx). 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 MEK1 in Complex with Fragment 18, PDB code: 3zlx:

Chlorine binding site 1 out of 1 in the Crystal Structure of MEK1 in Complex with Fragment 18


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 MEK1 in Complex with Fragment 18 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1383 b:51.1 occ:1.00 CL2 A:5EZ1383 0.0 51.1 1.0 C9 A:5EZ1383 1.8 44.0 1.0 C11 A:5EZ1383 2.7 42.0 1.0 C8 A:5EZ1383 2.7 38.4 1.0 O7 A:5EZ1383 3.0 44.3 1.0 OE1 A:GLN153 3.1 40.2 1.0 O A:LEU74 3.4 54.3 1.0 NE2 A:GLN153 3.6 34.6 1.0 CD A:GLN153 3.7 45.5 1.0 C A:LEU74 3.7 53.7 1.0 CA A:GLY149 3.8 29.4 1.0 CB A:LEU74 3.8 47.3 1.0 O A:HOH2028 3.8 62.6 1.0 N A:SER150 3.9 29.5 1.0 C14 A:5EZ1383 4.0 34.4 1.0 C13 A:5EZ1383 4.1 38.6 1.0 C A:GLY149 4.2 31.9 1.0 OG A:SER150 4.2 46.8 1.0 C6 A:5EZ1383 4.3 48.7 1.0 N A:GLY75 4.3 50.3 1.0 CA A:LEU74 4.3 48.4 1.0 O A:HOH2012 4.4 63.5 1.0 CA A:GLY75 4.5 50.5 1.0 C15 A:5EZ1383 4.6 36.3 1.0 C2 A:5EZ1383 4.6 55.0 1.0 CB A:SER150 4.7 33.4 1.0 C4 A:5EZ1383 4.7 53.3 1.0 CG A:LEU74 4.8 51.1 1.0 CA A:SER150 4.9 29.7 1.0

K.Amaning, M.Lowinski, F.Vallee, V.Steier, C.Marcireau, A.Ugolini, C.Delorme, F.Foucalt, G.Mccort, N.Derimay, C.Andouche, S.Vougier, S.Llopart, N.Halland, A.Rak. The Use of Virtual Screening and Differential Scanning Fluorimetry For the Rapid Identification of Fragments Active Against MEK1. Bioorg.Med.Chem.Lett. V. 23 3620 2013.
ISSN: ISSN 0960-894X
PubMed: 23648182
DOI: 10.1016/J.BMCL.2013.04.003