Zinc in PDB 6cje: Crystal Structure of MNK2-D228G in Complex with Inhibitor

All present enzymatic activity of Crystal Structure of MNK2-D228G in Complex with Inhibitor:
2.7.11.1;

The structure of Crystal Structure of MNK2-D228G in Complex with Inhibitor, PDB code: 6cje was solved by Q.Han, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.78 / 3.36
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	105.915, 105.915, 72.658, 90.00, 90.00, 120.00
R / Rfree (%)	21.2 / 31.6

The binding sites of Zinc atom in the Crystal Structure of MNK2-D228G in Complex with Inhibitor (pdb code 6cje). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Crystal Structure of MNK2-D228G in Complex with Inhibitor, PDB code: 6cje:

Zinc binding site 1 out of 1 in the Crystal Structure of MNK2-D228G in Complex with Inhibitor


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of MNK2-D228G in Complex with Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:0.7 occ:1.00 SG A:CYS314 2.3 0.9 1.0 SG A:CYS311 2.3 1.0 1.0 SG A:CYS299 2.4 0.8 1.0 N A:CYS299 2.8 0.1 1.0 CA A:CYS299 3.2 0.7 1.0 CB A:CYS299 3.4 0.8 1.0 C A:ARG298 3.4 0.2 1.0 CB A:CYS314 3.6 0.1 1.0 CB A:CYS311 3.7 0.8 1.0 N A:CYS314 3.9 0.8 1.0 O A:ARG298 4.0 0.8 1.0 CA A:ARG298 4.0 0.1 1.0 CA A:CYS314 4.1 0.7 1.0 CB A:ARG298 4.4 0.2 1.0 CB A:ALA313 4.5 0.3 1.0 C A:CYS299 4.7 0.5 1.0 O A:CYS303 4.8 0.6 1.0 C A:ALA313 4.8 0.3 1.0 CG A:ARG298 5.0 0.8 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