Chlorine in PDB 8u8k: Co-Crystal Structure of Phosphorylated ERK2 in Complex with ERK1/2 Inhibitor #8

All present enzymatic activity of Co-Crystal Structure of Phosphorylated ERK2 in Complex with ERK1/2 Inhibitor #8:
2.7.11.24;

The structure of Co-Crystal Structure of Phosphorylated ERK2 in Complex with ERK1/2 Inhibitor #8, PDB code: 8u8k was solved by J.W.Anderson, G.P.Vigers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	21.30 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	41.98, 77.28, 151.54, 90, 90, 90
R / Rfree (%)	17.4 / 21.3

The binding sites of Chlorine atom in the Co-Crystal Structure of Phosphorylated ERK2 in Complex with ERK1/2 Inhibitor #8 (pdb code 8u8k). 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 Co-Crystal Structure of Phosphorylated ERK2 in Complex with ERK1/2 Inhibitor #8, PDB code: 8u8k:

Chlorine binding site 1 out of 1 in the Co-Crystal Structure of Phosphorylated ERK2 in Complex with ERK1/2 Inhibitor #8


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Co-Crystal Structure of Phosphorylated ERK2 in Complex with ERK1/2 Inhibitor #8 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:26.2 occ:1.00 CL1 A:W8U401 0.0 26.2 1.0 C25 A:W8U401 1.8 22.0 1.0 N26 A:W8U401 2.6 25.6 1.0 C24 A:W8U401 2.7 20.8 1.0 C23 A:W8U401 3.0 19.4 1.0 C A:GLY30 3.5 25.6 1.0 CG2 A:VAL37 3.5 20.4 1.0 N A:GLU31 3.6 24.8 1.0 C20 A:W8U401 3.7 21.3 1.0 C16 A:W8U401 3.7 20.5 1.0 O A:HOH718 3.7 32.5 1.0 CA A:GLY30 3.7 22.2 1.0 N17 A:W8U401 3.8 21.1 1.0 C27 A:W8U401 3.9 26.1 1.0 O A:GLY30 3.9 24.5 1.0 CB A:VAL37 3.9 18.7 1.0 C29 A:W8U401 4.0 22.0 1.0 CA A:GLU31 4.3 23.3 1.0 N A:GLY30 4.4 23.1 1.0 O A:GLU31 4.4 23.9 1.0 O A:HOH680 4.5 31.9 1.0 C28 A:W8U401 4.5 21.3 1.0 C A:GLU31 4.5 23.1 1.0 N A:VAL37 4.6 19.2 1.0 C15 A:W8U401 4.7 25.1 1.0 N21 A:W8U401 4.8 21.4 1.0 O A:HOH700 4.8 38.7 1.0 CA A:VAL37 4.9 18.9 1.0 CG1 A:VAL37 5.0 17.4 1.0

J.W.Anderson, D.Vaisar, D.N.Jones, L.M.Pegram, G.P.Vigers, H.Chen, J.G.Moffat, N.G.Ahn. Conformation Selection By Atp-Competitive Inhibitors and Allosteric Communication in ERK2 Elife 2023.
ISSN: ESSN 2050-084X
DOI: 10.7554/ELIFE.91507.1