Magnesium in PDB 5dt3: Aurora A Kinase in Complex with Atp in Space Group P6122

All present enzymatic activity of Aurora A Kinase in Complex with Atp in Space Group P6122:
2.7.11.1;

The structure of Aurora A Kinase in Complex with Atp in Space Group P6122, PDB code: 5dt3 was solved by M.Janecek, M.Rossmann, P.Sharma, A.Emery, G.J.Mckenzie, D.J.Huggins, S.Stockwell, J.A.Stokes, E.G.Almeida, B.Hardwick, A.J.Narvaez, M.Hyvonen, D.R.Spring, A.R.Venkitaraman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	55.07 / 2.33
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	82.469, 82.469, 172.984, 90.00, 90.00, 120.00
R / Rfree (%)	20.8 / 24.3

The binding sites of Magnesium atom in the Aurora A Kinase in Complex with Atp in Space Group P6122 (pdb code 5dt3). 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 Aurora A Kinase in Complex with Atp in Space Group P6122, PDB code: 5dt3:

Magnesium binding site 1 out of 1 in the Aurora A Kinase in Complex with Atp in Space Group P6122


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Aurora A Kinase in Complex with Atp in Space Group P6122 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:65.6 occ:1.00 OD1 A:ASN261 2.3 50.5 1.0 O2B A:ATP403 2.3 56.3 1.0 O2A A:ATP403 2.4 53.2 1.0 OD2 A:ASP274 2.6 66.5 1.0 CG A:ASN261 3.3 50.7 1.0 PB A:ATP403 3.5 61.0 1.0 PA A:ATP403 3.5 55.7 1.0 CG A:ASP274 3.6 63.2 1.0 ND2 A:ASN261 3.6 46.6 1.0 O3A A:ATP403 3.7 61.0 1.0 OE2 A:GLU260 3.8 92.3 1.0 CB A:ASP274 4.2 56.5 1.0 O3B A:ATP403 4.3 74.2 1.0 O2G A:ATP403 4.3 89.1 1.0 CG A:GLU260 4.4 60.8 1.0 O3' A:ATP403 4.4 54.2 1.0 O5' A:ATP403 4.5 58.0 1.0 CD A:GLU260 4.5 95.3 1.0 O A:HOH527 4.5 56.5 1.0 C5' A:ATP403 4.5 53.8 1.0 OD1 A:ASP274 4.5 63.3 1.0 CB A:ASN261 4.7 47.6 1.0 O A:GLU260 4.7 53.7 1.0 O1B A:ATP403 4.7 64.2 1.0 O1A A:ATP403 4.7 59.1 1.0 C A:GLU260 5.0 54.6 1.0

M.Janecek, M.Rossmann, P.Sharma, A.Emery, D.J.Huggins, S.R.Stockwell, J.E.Stokes, Y.S.Tan, E.G.Almeida, B.Hardwick, A.J.Narvaez, M.Hyvonen, D.R.Spring, G.J.Mckenzie, A.R.Venkitaraman. Allosteric Modulation of Aurka Kinase Activity By A Small-Molecule Inhibitor of Its Protein-Protein Interaction with TPX2. Sci Rep V. 6 28528 2016.
ISSN: ESSN 2045-2322
PubMed: 27339427
DOI: 10.1038/SREP28528