Magnesium in PDB 1xr1: Crystal Structure of Hpim-1 Kinase in Complex with Amp-Pnp at 2.1 A Resolution

All present enzymatic activity of Crystal Structure of Hpim-1 Kinase in Complex with Amp-Pnp at 2.1 A Resolution:
2.7.1.37;

The structure of Crystal Structure of Hpim-1 Kinase in Complex with Amp-Pnp at 2.1 A Resolution, PDB code: 1xr1 was solved by K.C.Qian, L.Wang, E.R.Hickey, J.Studts, K.Barringer, C.Peng, A.Kronkaitis, J.Li, A.White, S.Mische, B.Farmer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.43 / 2.10
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	96.680, 96.680, 80.020, 90.00, 90.00, 120.00
R / Rfree (%)	n/a / n/a

The binding sites of Magnesium atom in the Crystal Structure of Hpim-1 Kinase in Complex with Amp-Pnp at 2.1 A Resolution (pdb code 1xr1). 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 Hpim-1 Kinase in Complex with Amp-Pnp at 2.1 A Resolution, PDB code: 1xr1:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Hpim-1 Kinase in Complex with Amp-Pnp at 2.1 A Resolution


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 Hpim-1 Kinase in Complex with Amp-Pnp at 2.1 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:23.9 occ:1.00 O1G A:ANP501 2.1 44.2 1.0 O2A A:ANP501 2.2 33.8 1.0 OD2 A:ASP186 2.6 18.9 1.0 OD1 A:ASN172 2.7 24.8 1.0 PG A:ANP501 3.3 43.7 1.0 CG A:ASP186 3.5 18.3 1.0 O3G A:ANP501 3.6 44.1 1.0 CG A:ASN172 3.7 23.1 1.0 PA A:ANP501 3.7 35.1 1.0 CB A:ASP186 3.9 16.0 1.0 O2B A:ANP501 3.9 39.6 1.0 ND2 A:ASN172 4.0 19.9 1.0 N3B A:ANP501 4.1 41.2 1.0 PB A:ANP501 4.3 38.3 1.0 O1A A:ANP501 4.4 35.9 1.0 O3A A:ANP501 4.4 38.2 1.0 O5' A:ANP501 4.4 35.2 1.0 O2G A:ANP501 4.5 42.3 1.0 OD1 A:ASP186 4.6 17.8 1.0 OD2 A:ASP167 4.6 29.4 1.0 MG A:MG402 4.7 28.6 1.0 C5' A:ANP501 4.8 32.3 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Hpim-1 Kinase in Complex with Amp-Pnp at 2.1 A Resolution


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 Hpim-1 Kinase in Complex with Amp-Pnp at 2.1 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:28.6 occ:1.00 O2B A:ANP501 2.1 39.6 1.0 OD1 A:ASP186 2.8 17.8 1.0 OD2 A:ASP186 2.9 18.9 1.0 CG A:ASP186 3.2 18.3 1.0 PB A:ANP501 3.6 38.3 1.0 O1G A:ANP501 3.8 44.2 1.0 CA A:GLY188 4.2 25.3 1.0 O1B A:ANP501 4.2 40.7 1.0 NZ A:LYS67 4.3 25.3 1.0 O3A A:ANP501 4.5 38.2 1.0 N3B A:ANP501 4.5 41.2 1.0 PG A:ANP501 4.6 43.7 1.0 N A:GLY188 4.6 24.2 1.0 O2A A:ANP501 4.6 33.8 1.0 C A:GLY188 4.7 27.3 1.0 MG A:MG401 4.7 23.9 1.0 CB A:ASP186 4.7 16.0 1.0 O2G A:ANP501 4.8 42.3 1.0 O A:GLY188 5.0 28.1 1.0

K.C.Qian, L.Wang, E.R.Hickey, J.Studts, K.Barringer, C.Peng, A.Kronkaitis, J.Li, A.White, S.Mische, B.Farmer. Structural Basis of Constitutive Activity and A Unique Nucleotide Binding Mode of Human Pim-1 Kinase. J.Biol.Chem. V. 280 6130 2005.
ISSN: ISSN 0021-9258
PubMed: 15525646
DOI: 10.1074/JBC.M409123200