Calcium in PDB 4bn1: Crystal Structure of V174M Mutant of Aurora-A Kinase

All present enzymatic activity of Crystal Structure of V174M Mutant of Aurora-A Kinase:
2.7.11.1;

The structure of Crystal Structure of V174M Mutant of Aurora-A Kinase, PDB code: 4bn1 was solved by R.A.Bibby, R.Bayliss, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	65.557 / 2.50
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	81.615, 81.615, 175.385, 90.00, 90.00, 120.00
R / Rfree (%)	19.19 / 24.41

The binding sites of Calcium atom in the Crystal Structure of V174M Mutant of Aurora-A Kinase (pdb code 4bn1). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of V174M Mutant of Aurora-A Kinase, PDB code: 4bn1:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of V174M Mutant of Aurora-A Kinase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of V174M Mutant of Aurora-A Kinase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1392 b:60.6 occ:1.00 OD1 A:ASP274 2.7 55.1 1.0 OD2 A:ASP274 2.7 45.1 1.0 O1B A:ADP1391 2.7 51.8 1.0 O A:HOH2044 2.8 55.2 1.0 O A:HOH2007 3.0 52.5 1.0 O A:HOH2021 3.1 61.1 1.0 CG A:ASP274 3.1 46.6 1.0 O2B A:ADP1391 3.3 52.2 1.0 PB A:ADP1391 3.5 43.6 1.0 NZ A:LYS162 4.4 43.7 1.0 CA A:CA1393 4.4 56.7 1.0 CA A:GLY276 4.5 57.0 1.0 O3B A:ADP1391 4.5 63.0 1.0 CB A:ASP274 4.5 43.7 1.0 OE1 A:GLU181 4.6 49.9 1.0 N A:GLY276 4.7 52.4 1.0 O3A A:ADP1391 4.7 61.0 1.0 OD2 A:ASP256 4.8 50.5 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of V174M Mutant of Aurora-A Kinase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of V174M Mutant of Aurora-A Kinase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1393 b:56.7 occ:1.00 O1A A:ADP1391 2.4 58.2 1.0 OD1 A:ASN261 2.6 43.3 1.0 OD2 A:ASP274 2.6 45.1 1.0 O2B A:ADP1391 2.6 52.2 1.0 O A:HOH2023 2.9 49.8 1.0 O3A A:ADP1391 3.2 61.0 1.0 PB A:ADP1391 3.4 43.6 1.0 PA A:ADP1391 3.4 45.0 1.0 H5'2 A:ADP1391 3.5 49.2 1.0 CG A:ASP274 3.6 46.6 1.0 CG A:ASN261 3.7 45.3 1.0 O1B A:ADP1391 4.0 51.8 1.0 CB A:ASP274 4.0 43.7 1.0 ND2 A:ASN261 4.1 36.4 1.0 CA A:CA1392 4.4 60.6 1.0 O5' A:ADP1391 4.4 41.2 1.0 C5' A:ADP1391 4.4 41.0 1.0 O2A A:ADP1391 4.6 49.5 1.0 OE1 A:GLU260 4.6 56.4 1.0 O3' A:ADP1391 4.6 35.3 1.0 OD1 A:ASP274 4.7 55.1 1.0 H3' A:ADP1391 4.7 52.3 1.0 O A:GLU260 4.7 48.1 1.0 O3B A:ADP1391 4.7 63.0 1.0 CB A:GLU260 4.8 44.9 1.0 HO3' A:ADP1391 4.9 42.4 1.0 CB A:ASN261 4.9 47.1 1.0 OD2 A:ASP256 4.9 50.5 1.0

F.C.Rowan, M.Richards, R.A.Bibby, A.Thompson, R.Bayliss, J.Blagg. Insights Into Aurora-A Kinase Activation Using Unnatural Amino Acids Incorporated By Chemical Modification. Acs Chem.Biol. V. 8 2184 2013.
ISSN: ISSN 1554-8929
PubMed: 23924325
DOI: 10.1021/CB400425T