Magnesium in PDB 1mq4: Crystal Structure of Aurora-A Protein Kinase

The structure of Crystal Structure of Aurora-A Protein Kinase, PDB code: 1mq4 was solved by J.Nowakowski, C.N.Cronin, D.E.Mcree, M.W.Knuth, C.Nelson, N.P.Pavletich, J.Rodgers, B.-C.Sang, D.N.Scheibe, R.V.Swanson, D.A.Thompson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 1.90
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	80.452, 80.452, 172.172, 90.00, 90.00, 120.00
R / Rfree (%)	22.5 / 27.3

The binding sites of Magnesium atom in the Crystal Structure of Aurora-A Protein Kinase (pdb code 1mq4). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Aurora-A Protein Kinase, PDB code: 1mq4:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Aurora-A Protein Kinase


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 Aurora-A Protein Kinase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg2086 b:29.9 occ:1.00 O1B A:ADP2001 1.9 30.3 1.0 O A:HOH3003 2.0 29.6 1.0 O A:HOH2098 2.0 38.0 1.0 OD2 A:ASP274 2.1 32.6 1.0 O A:HOH3022 2.1 39.3 1.0 O A:HOH3004 2.4 44.0 1.0 OD1 A:ASP274 2.6 29.4 1.0 CG A:ASP274 2.7 31.8 1.0 PB A:ADP2001 3.2 32.9 1.0 O3B A:ADP2001 3.6 30.6 1.0 O A:HOH2097 3.7 41.8 1.0 O A:HOH3013 3.9 32.3 1.0 NZ A:LYS162 3.9 33.1 1.0 MG A:MG2088 4.1 29.4 1.0 O2B A:ADP2001 4.1 35.7 1.0 CB A:ASP274 4.2 30.9 1.0 O A:HOH3070 4.3 32.0 1.0 O3A A:ADP2001 4.3 32.4 1.0 OE2 A:GLU181 4.3 46.4 1.0 CA A:GLY276 4.6 35.0 1.0 N A:GLY276 4.7 34.4 1.0 O2A A:ADP2001 4.7 29.3 1.0 CA A:ASP274 4.8 31.6 1.0 PA A:ADP2001 4.9 31.6 1.0 O A:ASP274 4.9 31.0 1.0 C A:ASP274 4.9 31.4 1.0 OD2 A:ASP256 5.0 36.7 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Aurora-A Protein Kinase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Aurora-A Protein Kinase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg2088 b:29.4 occ:1.00 O2A A:ADP2001 1.9 29.3 1.0 OD1 A:ASP274 1.9 29.4 1.0 O3B A:ADP2001 2.0 30.6 1.0 O A:HOH3070 2.0 32.0 1.0 OD1 A:ASN261 2.0 29.8 1.0 O A:HOH3009 2.0 35.8 1.0 CG A:ASP274 3.0 31.8 1.0 CG A:ASN261 3.1 28.6 1.0 PB A:ADP2001 3.1 32.9 1.0 PA A:ADP2001 3.2 31.6 1.0 CB A:ASP274 3.5 30.9 1.0 O3A A:ADP2001 3.5 32.4 1.0 O1B A:ADP2001 3.5 30.3 1.0 ND2 A:ASN261 3.6 26.2 1.0 O A:HOH3003 3.7 29.6 1.0 OD2 A:ASP274 4.0 32.6 1.0 O A:HOH3021 4.0 41.1 1.0 MG A:MG2086 4.1 29.9 1.0 O1A A:ADP2001 4.1 30.5 1.0 O5' A:ADP2001 4.2 31.8 1.0 O A:HOH3001 4.2 32.9 1.0 CB A:ASN261 4.4 29.2 1.0 C5' A:ADP2001 4.4 32.0 1.0 O2B A:ADP2001 4.4 35.7 1.0 O A:GLU260 4.6 31.4 1.0 O3' A:ADP2001 4.7 33.2 1.0 CA A:ASN261 4.7 29.5 1.0 OD2 A:ASP256 4.9 36.7 1.0 C A:GLU260 4.9 30.4 1.0 CA A:ASP274 5.0 31.6 1.0

J.Nowakowski, C.N.Cronin, D.E.Mcree, M.W.Knuth, C.Nelson, N.P.Pavletich, J.Rodgers, B.-C.Sang, D.N.Scheibe, R.V.Swanson, D.A.Thompson. Structures of the Cancer-Related Aurora-A, Fak and EPHA2 Protein Kinases From Nanovolume Crystallography Structure V. 10 1659 2002.
ISSN: ISSN 0969-2126
PubMed: 12467573
DOI: 10.1016/S0969-2126(02)00907-3