Magnesium in PDB 6vpm: TPX2 Residues 7-20 Fused to Aurora A Residues 116-389 with C290 Disulfide Bonded to Compound 8-34, and in Complex with Amp-Pnp

All present enzymatic activity of TPX2 Residues 7-20 Fused to Aurora A Residues 116-389 with C290 Disulfide Bonded to Compound 8-34, and in Complex with Amp-Pnp:
2.7.11.1;

The structure of TPX2 Residues 7-20 Fused to Aurora A Residues 116-389 with C290 Disulfide Bonded to Compound 8-34, and in Complex with Amp-Pnp, PDB code: 6vpm was solved by D.C.Lim, M.B.Yaffe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.87 / 1.58
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.730, 85.769, 152.492, 90.00, 90.00, 90.00
R / Rfree (%)	17 / 20.3

The binding sites of Magnesium atom in the TPX2 Residues 7-20 Fused to Aurora A Residues 116-389 with C290 Disulfide Bonded to Compound 8-34, and in Complex with Amp-Pnp (pdb code 6vpm). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the TPX2 Residues 7-20 Fused to Aurora A Residues 116-389 with C290 Disulfide Bonded to Compound 8-34, and in Complex with Amp-Pnp, PDB code: 6vpm:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the TPX2 Residues 7-20 Fused to Aurora A Residues 116-389 with C290 Disulfide Bonded to Compound 8-34, and in Complex with Amp-Pnp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of TPX2 Residues 7-20 Fused to Aurora A Residues 116-389 with C290 Disulfide Bonded to Compound 8-34, and in Complex with Amp-Pnp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg601 b:40.7 occ:1.00 O B:SER7 2.5 38.1 1.0 OE1 B:GLU175 2.5 34.9 1.0 OD2 A:ASP11 2.5 32.4 1.0 CD B:GLU175 3.2 37.3 1.0 OE2 B:GLU175 3.2 34.9 1.0 CG A:ASP11 3.5 32.1 1.0 O B:HOH866 3.5 32.3 1.0 CD2 B:HIS176 3.6 25.9 1.0 C B:SER7 3.6 35.4 1.0 NH1 B:ARG179 3.6 20.0 1.0 N B:SER7 3.8 31.5 1.0 NE2 B:HIS176 3.8 26.8 1.0 OD1 A:ASP11 3.8 32.8 1.0 CD B:ARG179 4.1 21.8 1.0 CA B:SER7 4.1 34.8 1.0 CZ B:ARG179 4.2 24.2 1.0 CE B:MET-1 4.2 40.9 0.6 NE B:ARG179 4.3 20.2 1.0 CB B:SER7 4.4 36.4 1.0 CE2 B:TYR10 4.4 23.0 1.0 CB B:MET-1 4.4 39.2 0.6 CB B:MET-1 4.5 40.1 0.4 CG B:GLU175 4.6 33.9 1.0 CE B:MET-1 4.7 44.2 0.4 C B:MET-1 4.7 35.9 1.0 N B:TYR8 4.7 24.9 1.0 OG B:SER7 4.8 34.4 1.0 CB B:ARG179 4.8 18.7 1.0 CB A:ASP11 4.9 22.0 1.0 CG B:HIS176 4.9 24.7 1.0 O B:GLU175 5.0 23.4 1.0

Magnesium binding site 2 out of 2 in the TPX2 Residues 7-20 Fused to Aurora A Residues 116-389 with C290 Disulfide Bonded to Compound 8-34, and in Complex with Amp-Pnp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of TPX2 Residues 7-20 Fused to Aurora A Residues 116-389 with C290 Disulfide Bonded to Compound 8-34, and in Complex with Amp-Pnp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg605 b:44.0 occ:1.00 OE1 A:GLU175 2.4 38.8 1.0 OD2 B:ASP11 2.6 30.8 1.0 O A:SER7 2.6 48.2 1.0 CD A:GLU175 3.1 43.7 1.0 OE2 A:GLU175 3.2 38.5 1.0 CD2 A:HIS176 3.4 25.9 1.0 O A:HOH858 3.5 32.3 1.0 NH1 A:ARG179 3.6 21.1 1.0 CG B:ASP11 3.6 33.1 1.0 NE2 A:HIS176 3.6 27.1 1.0 C A:SER7 3.7 39.7 1.0 OD1 B:ASP11 4.0 34.7 1.0 CD A:ARG179 4.0 19.3 1.0 N A:SER7 4.0 37.8 1.0 CZ A:ARG179 4.1 20.8 1.0 CA A:SER7 4.2 38.3 1.0 NE A:ARG179 4.3 21.4 1.0 CB A:SER7 4.3 45.5 1.0 CG A:MET-1 4.4 63.0 1.0 CE2 A:TYR10 4.4 24.1 1.0 CG A:GLU175 4.5 35.4 1.0 CG A:HIS176 4.7 24.2 1.0 CB A:ARG179 4.7 17.7 1.0 N A:TYR8 4.8 26.5 1.0 O A:GLU175 4.8 23.7 1.0 OG A:SER7 4.9 35.5 1.0 CB B:ASP11 4.9 25.1 1.0 CG A:ARG179 5.0 18.3 1.0 CE1 A:HIS176 5.0 27.5 1.0

D.C.Lim, V.Joukov, T.J.Rettenmaier, A.Kumagai, W.G.Dunphy, J.A.Wells, M.B.Yaffe. Redox Priming Promotes Aurora A Activation During Mitosis. Sci.Signal. V. 13 2020.
ISSN: ESSN 1937-9145
PubMed: 32694171
DOI: 10.1126/SCISIGNAL.ABB6707