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

Enzymatic activity of 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;

Protein crystallography data

The structure of Crystal Structure of MNK2-D228G in Complex with Inhibitor, PDB code: 6cjw 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 / 3.38
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 105.645, 105.645, 73.537, 90.00, 90.00, 120.00
R / Rfree (%) 17.7 / 24.8

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of MNK2-D228G in Complex with Inhibitor (pdb code 6cjw). 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: 6cjw:

Zinc binding site 1 out of 1 in 6cjw

Go back to Zinc Binding Sites List in 6cjw
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:0.5
occ:1.00
SG A:CYS314 2.3 0.6 1.0
SG A:CYS299 2.4 0.6 1.0
SG A:CYS311 2.4 0.4 1.0
N A:CYS299 3.2 0.1 1.0
CA A:CYS299 3.4 0.4 1.0
CB A:CYS299 3.4 0.1 1.0
CB A:CYS314 3.7 0.2 1.0
C A:ARG298 3.7 0.8 1.0
CB A:CYS311 3.8 0.8 1.0
O A:ARG298 4.1 0.8 1.0
N A:CYS314 4.2 0.6 1.0
CA A:CYS314 4.3 0.8 1.0
CA A:ARG298 4.4 0.3 1.0
C A:CYS299 4.9 0.1 1.0
CB A:ALA313 5.0 0.2 1.0

Reference:

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
Page generated: Wed Dec 16 11:36:43 2020

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