Chlorine in PDB 5lcj: In-Gel Activity-Based Protein Profiling of A Clickable Covalent Erk 1/2 Inhibitor

All present enzymatic activity of In-Gel Activity-Based Protein Profiling of A Clickable Covalent Erk 1/2 Inhibitor:
2.7.11.24;

The structure of In-Gel Activity-Based Protein Profiling of A Clickable Covalent Erk 1/2 Inhibitor, PDB code: 5lcj was solved by M.O'reilly, D.Wright, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.67 / 1.78
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	48.729, 70.807, 60.208, 90.00, 109.18, 90.00
R / Rfree (%)	16.2 / 21.2

The binding sites of Chlorine atom in the In-Gel Activity-Based Protein Profiling of A Clickable Covalent Erk 1/2 Inhibitor (pdb code 5lcj). 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 In-Gel Activity-Based Protein Profiling of A Clickable Covalent Erk 1/2 Inhibitor, PDB code: 5lcj:

Chlorine binding site 1 out of 1 in the In-Gel Activity-Based Protein Profiling of A Clickable Covalent Erk 1/2 Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of In-Gel Activity-Based Protein Profiling of A Clickable Covalent Erk 1/2 Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:32.3 occ:1.00 CL1 A:6TS401 0.0 32.3 1.0 C2 A:6TS401 1.7 28.7 1.0 H66 A:6TS401 2.6 30.3 1.0 C3 A:6TS401 2.7 30.7 1.0 C31 A:6TS401 2.8 25.4 1.0 H44 A:6TS401 2.8 31.1 1.0 N32 A:6TS401 3.1 32.0 1.0 OE1 A:GLN105 3.2 28.1 1.0 O A:HOH632 3.4 45.6 1.0 O A:HOH674 3.6 41.7 1.0 O41 A:6TS401 3.6 37.0 1.0 CD1 A:LEU156 3.7 22.2 1.0 H73 A:6TS401 3.8 36.5 1.0 N4 A:6TS401 3.9 29.6 1.0 N30 A:6TS401 4.0 27.5 1.0 CB A:ALA52 4.0 25.5 1.0 CD A:GLN105 4.1 31.0 1.0 CB A:GLN105 4.2 21.4 1.0 C40 A:6TS401 4.4 34.2 1.0 H1 A:6TS401 4.4 33.9 1.0 C5 A:6TS401 4.4 29.1 1.0 C33 A:6TS401 4.5 35.8 1.0 C43 A:6TS401 4.5 35.2 1.0 O A:ASP106 4.5 27.5 1.0 CG A:GLN105 4.7 20.6 1.0 CG1 A:ILE84 4.8 20.9 1.0 NE2 A:GLN105 4.9 25.9 1.0

H.Lebraud, D.J.Wright, C.E.East, F.P.Holding, M.O'reilly, T.D.Heightman. In-Gel Activity-Based Protein Profiling of A Clickable Covalent ERK1/2 Inhibitor. Mol Biosyst V. 12 2867 2016.
ISSN: ESSN 1742-2051
PubMed: 27385078
DOI: 10.1039/C6MB00367B