Magnesium in PDB 5ap1: Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance.

All present enzymatic activity of Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance.:
2.7.12.1;

The structure of Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance., PDB code: 5ap1 was solved by M.D.Gurden, I.M.Westwood, A.Faisal, S.Naud, K.J.Cheung, C.Mcandrew, A.Wood, J.Schmitt, K.Boxall, G.Mak, P.Workman, R.Burke, S.Hoelder, J.Blagg, R.L.M.Van Montfort, S.Linardopoulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.34 / 2.05
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	70.680, 108.380, 115.530, 90.00, 90.00, 90.00
R / Rfree (%)	19.45 / 21.07

The binding sites of Magnesium atom in the Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance. (pdb code 5ap1). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance., PDB code: 5ap1:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1801 b:55.6 occ:0.50 O3P A:TPO675 2.0 71.7 1.0 O A:HOH2079 2.1 53.3 1.0 O3P A:SEP677 2.1 74.8 1.0 MG A:MG1803 3.1 70.7 1.0 P A:SEP677 3.1 75.1 1.0 O2P A:SEP677 3.3 74.7 1.0 P A:TPO675 3.3 70.4 1.0 O1P A:TPO675 3.6 70.1 1.0 OG A:SEP677 3.6 75.0 1.0 O A:HOH2081 3.9 57.2 1.0 O2P A:TPO675 4.1 70.6 1.0 O A:HOH2083 4.3 67.8 1.0 OG1 A:TPO675 4.4 69.8 1.0 O1P A:SEP677 4.5 75.6 1.0 O2P A:TPO676 4.5 82.3 1.0 CB A:SEP677 4.7 76.4 1.0 O A:HOH2085 4.9 62.8 1.0 OG1 A:TPO676 5.0 77.9 1.0 O A:HOH2078 5.0 61.2 1.0

Magnesium binding site 2 out of 3 in the Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1802 b:94.5 occ:1.00 O A:HOH2076 2.1 78.8 1.0 O A:HOH2080 2.5 73.8 1.0 O2P A:TPO675 2.6 70.6 1.0 P A:TPO675 3.9 70.4 1.0 O1P A:TPO675 4.1 70.1 1.0 O A:ASP674 4.2 66.7 1.0 O A:HOH2081 4.3 57.2 1.0 O A:HOH2079 4.5 53.3 1.0 O A:HOH2075 4.6 79.5 1.0 CB A:TPO675 4.8 68.2 1.0 O3P A:TPO675 4.8 71.7 1.0 OG1 A:TPO675 4.9 69.8 1.0

Magnesium binding site 3 out of 3 in the Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1803 b:70.7 occ:1.00 O2P A:SEP677 1.9 74.7 1.0 O A:HOH2081 2.1 57.2 1.0 O A:HOH2078 2.2 61.2 1.0 O A:HOH2085 2.2 62.8 1.0 O3P A:TPO675 2.3 71.7 1.0 MG A:MG1801 3.1 55.6 0.5 P A:SEP677 3.2 75.1 1.0 P A:TPO675 3.3 70.4 1.0 O2P A:TPO675 3.6 70.6 1.0 O3P A:SEP677 3.6 74.8 1.0 OG1 A:TPO675 3.7 69.8 1.0 OG A:SEP677 3.9 75.0 1.0 O A:HOH2079 4.1 53.3 1.0 CB A:SEP677 4.2 76.4 1.0 O1P A:SEP677 4.4 75.6 1.0 O1P A:TPO675 4.6 70.1 1.0 CB A:TPO675 4.8 68.2 1.0

M.D.Gurden, I.M.Westwood, A.Faisal, S.Naud, K.J.Cheung, C.Mcandrew, A.Wood, J.Schmitt, K.Boxall, G.Mak, P.Workman, R.Burke, S.Hoelder, J.Blagg, R.L.M.Van Montfort, S.Linardopoulos. Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance. Cancer Res. V. 75 3340 2015.
ISSN: ISSN 0008-5472
PubMed: 26202014
DOI: 10.1158/0008-5472.CAN-14-3272