Chlorine in PDB 3zm4: Crystal Structure of MEK1 in Complex with Fragment 1

All present enzymatic activity of Crystal Structure of MEK1 in Complex with Fragment 1:
2.7.12.2;

The structure of Crystal Structure of MEK1 in Complex with Fragment 1, PDB code: 3zm4 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)	64.50 / 2.37
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	77.805, 77.805, 222.926, 90.00, 90.00, 120.00
R / Rfree (%)	20.5 / 24.1

The binding sites of Chlorine atom in the Crystal Structure of MEK1 in Complex with Fragment 1 (pdb code 3zm4). 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 1, PDB code: 3zm4:

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


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 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1383 b:55.6 occ:1.00 CL21 A:22T1383 0.0 55.6 1.0 C14 A:22T1383 1.7 46.3 1.0 C13 A:22T1383 2.7 38.6 1.0 C7 A:22T1383 2.7 43.5 1.0 O9 A:22T1383 2.9 46.3 1.0 O A:LEU74 3.4 49.5 1.0 OE1 A:GLN153 3.6 35.3 1.0 C A:LEU74 3.8 48.6 1.0 NE2 A:GLN153 3.9 31.9 1.0 CB A:LEU74 3.9 40.0 1.0 C10 A:22T1383 4.0 34.4 1.0 C8 A:22T1383 4.0 38.4 1.0 O A:HOH2023 4.0 59.8 1.0 O A:HOH2050 4.1 48.6 1.0 CD A:GLN153 4.1 40.5 1.0 N A:GLY75 4.2 46.4 1.0 N A:SER150 4.3 24.8 1.0 C5 A:22T1383 4.3 49.1 1.0 CA A:GLY75 4.3 46.8 1.0 OG A:SER150 4.4 41.2 1.0 CA A:LEU74 4.5 40.9 1.0 CA A:GLY149 4.5 27.3 1.0 C9 A:22T1383 4.5 34.2 1.0 CB A:SER150 4.7 27.9 1.0 C A:GLY149 4.7 29.3 1.0 CD2 A:LEU197 4.8 28.9 1.0 C4 A:22T1383 4.8 50.5 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