Magnesium in PDB 5vt1: Crystal Structure of the Human CAMKK2B Bound to A Thiadiazinone Benzamide Inhibitor

All present enzymatic activity of Crystal Structure of the Human CAMKK2B Bound to A Thiadiazinone Benzamide Inhibitor:
2.7.11.17;

The structure of Crystal Structure of the Human CAMKK2B Bound to A Thiadiazinone Benzamide Inhibitor, PDB code: 5vt1 was solved by R.M.Counago, C.R.M.Asquith, P.Arruda, A.M.Edwards, O.Gileadi, A.S.Kalogirou, P.A.Koutentis, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.96 / 1.90
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	100.454, 100.454, 69.674, 90.00, 90.00, 120.00
R / Rfree (%)	16.1 / 18.5

The binding sites of Magnesium atom in the Crystal Structure of the Human CAMKK2B Bound to A Thiadiazinone Benzamide Inhibitor (pdb code 5vt1). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of the Human CAMKK2B Bound to A Thiadiazinone Benzamide Inhibitor, PDB code: 5vt1:

Magnesium binding site 1 out of 1 in the Crystal Structure of the Human CAMKK2B Bound to A Thiadiazinone Benzamide Inhibitor


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of the Human CAMKK2B Bound to A Thiadiazinone Benzamide Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:23.1 occ:1.00 O A:HOH618 2.1 25.4 1.0 O A:HOH608 2.1 22.4 1.0 HA A:MET276 3.9 25.5 1.0 O A:PRO274 4.0 25.2 1.0 O A:HOH747 4.1 22.9 1.0 O A:VAL275 4.2 25.1 1.0 OE1 A:GLU277 4.2 33.7 1.0 O A:HOH797 4.3 64.1 1.0 OE2 A:GLU277 4.3 28.9 1.0 CD A:GLU277 4.7 46.1 1.0 C A:VAL275 4.8 25.9 1.0 CA A:MET276 4.9 25.7 1.0 HA3 A:GLY273 4.9 23.6 1.0

C.R.M.Asquith, P.H.Godoi, R.M.Counago, T.Laitinen, J.W.Scott, C.G.Langendorf, J.S.Oakhill, D.H.Drewry, W.J.Zuercher, P.A.Koutentis, T.M.Willson, A.S.Kalogirou. 1,2,6-Thiadiazinones As Novel Narrow Spectrum Calcium/Calmodulin-Dependent Protein Kinase Kinase 2 (CAMKK2) Inhibitors. Molecules V. 23 2018.
ISSN: ESSN 1420-3049
PubMed: 29783765
DOI: 10.3390/MOLECULES23051221