Magnesium in PDB 1gag: Crystal Structure of the Insulin Receptor Kinase in Complex with A Bisubstrate Inhibitor

All present enzymatic activity of Crystal Structure of the Insulin Receptor Kinase in Complex with A Bisubstrate Inhibitor:
2.7.1.112;

The structure of Crystal Structure of the Insulin Receptor Kinase in Complex with A Bisubstrate Inhibitor, PDB code: 1gag was solved by K.Parang, J.H.Till, A.J.Ablooglu, R.A.Kohanski, S.R.Hubbard, P.A.Cole, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.70
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	66.300, 66.300, 138.100, 90.00, 90.00, 120.00
R / Rfree (%)	21.4 / 26.9

The binding sites of Magnesium atom in the Crystal Structure of the Insulin Receptor Kinase in Complex with A Bisubstrate Inhibitor (pdb code 1gag). 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 the Insulin Receptor Kinase in Complex with A Bisubstrate Inhibitor, PDB code: 1gag:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the Insulin Receptor Kinase in Complex with A Bisubstrate Inhibitor


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 the Insulin Receptor Kinase in Complex with A Bisubstrate Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg201 b:8.4 occ:1.00 O2B B:112101 1.9 15.7 1.0 OD2 A:ASP1150 2.1 19.8 1.0 O2S B:112101 2.2 17.8 1.0 O2G B:112101 2.3 16.9 1.0 OD1 A:ASN1137 2.3 17.6 1.0 O B:HOH1 2.4 2.0 1.0 CG A:ASN1137 3.1 17.6 1.0 CG A:ASP1150 3.1 20.0 1.0 PB B:112101 3.2 14.7 1.0 C2S B:112101 3.2 18.0 1.0 PG B:112101 3.4 16.4 1.0 ND2 A:ASN1137 3.4 17.4 1.0 O3B B:112101 3.5 16.5 1.0 C1S B:112101 3.5 16.4 1.0 CB A:ASP1150 3.6 18.0 1.0 O3A B:112101 4.0 15.4 1.0 O A:HOH21 4.2 20.1 1.0 S1G B:112101 4.2 18.4 1.0 O2A B:112101 4.2 14.7 1.0 OD1 A:ASP1150 4.2 20.0 1.0 O1B B:112101 4.3 12.3 1.0 NS B:112101 4.3 16.9 1.0 CB A:ASN1137 4.4 17.4 1.0 MG A:MG202 4.4 42.6 1.0 O A:ARG1136 4.5 20.5 1.0 CA A:ASN1137 4.6 17.3 1.0 OD2 A:ASP1132 4.7 19.2 1.0 O3G B:112101 4.7 16.5 1.0 PA B:112101 4.7 15.3 1.0 NE A:ARG1136 4.8 17.2 1.0 CD A:ARG1136 4.8 17.4 1.0 C A:ARG1136 4.9 19.5 1.0 CG A:ARG1136 4.9 16.8 1.0 N A:ASN1137 4.9 19.1 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the Insulin Receptor Kinase in Complex with A Bisubstrate Inhibitor


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 the Insulin Receptor Kinase in Complex with A Bisubstrate Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:42.6 occ:1.00 O A:HOH21 1.6 20.1 1.0 O B:HOH20 2.2 10.2 1.0 O A:HOH22 2.4 28.3 1.0 OD2 A:ASP1150 3.1 19.8 1.0 OD1 A:ASP1150 3.4 20.0 1.0 O2B B:112101 3.4 15.7 1.0 O1B B:112101 3.5 12.3 1.0 CG A:ASP1150 3.6 20.0 1.0 OE1 A:GLU1047 3.8 22.6 1.0 PB B:112101 4.0 14.7 1.0 MG A:MG201 4.4 8.4 1.0 OE2 A:GLU1043 4.6 29.6 1.0 O2A B:112101 4.6 14.7 1.0 CD A:GLU1047 4.6 23.2 1.0 O2S B:112101 4.7 17.8 1.0 C1S B:112101 4.8 16.4 1.0 OG A:SER1006 4.9 21.5 1.0 O3A B:112101 4.9 15.4 1.0 OE2 A:GLU1047 5.0 23.5 1.0 CD A:GLU1043 5.0 28.5 1.0

K.Parang, J.H.Till, A.J.Ablooglu, R.A.Kohanski, S.R.Hubbard, P.A.Cole. Mechanism-Based Design of A Protein Kinase Inhibitor. Nat.Struct.Biol. V. 8 37 2001.
ISSN: ISSN 1072-8368
PubMed: 11135668
DOI: 10.1038/83028