Chlorine in PDB 6ck3: Co-Crytsal Structure of MNK2 in Complex with An Inhibitor

All present enzymatic activity of Co-Crytsal Structure of MNK2 in Complex with An Inhibitor:
2.7.11.1;

The structure of Co-Crytsal Structure of MNK2 in Complex with An Inhibitor, PDB code: 6ck3 was solved by Q.Han, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 2.90
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	104.782, 104.782, 72.316, 90.00, 90.00, 120.00
R / Rfree (%)	18.9 / 26.3

The structure of Co-Crytsal Structure of MNK2 in Complex with An Inhibitor also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Chlorine atom in the Co-Crytsal Structure of MNK2 in Complex with An Inhibitor (pdb code 6ck3). 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-Crytsal Structure of MNK2 in Complex with An Inhibitor, PDB code: 6ck3:

Chlorine binding site 1 out of 1 in the Co-Crytsal Structure of MNK2 in Complex with An Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Co-Crytsal Structure of MNK2 in Complex with An Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:0.4 occ:1.00 O A:HOH508 2.6 67.0 1.0 OG A:SER124 2.9 91.7 1.0 O A:HOH503 3.0 69.3 1.0 CB A:SER124 4.1 84.4 1.0 NH1 A:ARG128 4.8 83.7 1.0

S.H.Reich, P.A.Sprengeler, G.G.Chiang, J.R.Appleman, J.Chen, J.Clarine, B.Eam, J.T.Ernst, Q.Han, V.K.Goel, E.Z.R.Han, V.Huang, I.N.J.Hung, A.Jemison, K.A.Jessen, J.Molter, D.Murphy, M.Neal, G.S.Parker, M.Shaghafi, S.Sperry, J.Staunton, C.R.Stumpf, P.A.Thompson, C.Tran, S.E.Webber, C.J.Wegerski, H.Zheng, K.R.Webster. Structure-Based Design of Pyridone-Aminal EFT508 Targeting Dysregulated Translation By Selective Mitogen-Activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition. J. Med. Chem. V. 61 3516 2018.
ISSN: ISSN 1520-4804
PubMed: 29526098
DOI: 10.1021/ACS.JMEDCHEM.7B01795