Magnesium in PDB 1tc6: Ligand Induced Conformational Shift in the N-Terminal Domain of GRP94, Open Conformation Adp-Complex

The structure of Ligand Induced Conformational Shift in the N-Terminal Domain of GRP94, Open Conformation Adp-Complex, PDB code: 1tc6 was solved by D.T.Gewirth, R.M.Immormino, D.E.Dollins, P.L.Shaffer, M.A.Walker, K.L.Soldano, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.87
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	159.234, 159.234, 109.070, 90.00, 90.00, 120.00
R / Rfree (%)	22.5 / 25.9

The binding sites of Magnesium atom in the Ligand Induced Conformational Shift in the N-Terminal Domain of GRP94, Open Conformation Adp-Complex (pdb code 1tc6). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Ligand Induced Conformational Shift in the N-Terminal Domain of GRP94, Open Conformation Adp-Complex, PDB code: 1tc6:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Ligand Induced Conformational Shift in the N-Terminal Domain of GRP94, Open Conformation Adp-Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Ligand Induced Conformational Shift in the N-Terminal Domain of GRP94, Open Conformation Adp-Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg501 b:31.5 occ:1.00 OD1 A:ASN107 2.1 27.2 1.0 O2A A:ADP301 2.1 28.4 1.0 O1B A:ADP301 2.2 32.4 1.0 O A:HOH517 2.2 26.8 1.0 O A:HOH520 2.3 28.2 1.0 O A:HOH545 2.3 31.0 1.0 CG A:ASN107 3.0 24.8 1.0 PB A:ADP301 3.2 31.5 1.0 PA A:ADP301 3.3 31.6 1.0 ND2 A:ASN107 3.3 21.5 1.0 O3A A:ADP301 3.5 31.8 1.0 O3B A:ADP301 3.8 36.6 1.0 O A:HOH514 4.0 28.4 1.0 O5' A:ADP301 4.0 28.6 1.0 O A:HOH616 4.1 64.6 1.0 O A:HOH526 4.2 40.5 1.0 CA A:GLY198 4.2 31.8 1.0 OG A:SER106 4.3 33.2 1.0 CB A:ASN107 4.4 20.9 1.0 O A:GLU103 4.5 24.3 1.0 OE1 A:GLU103 4.5 34.8 1.0 O1A A:ADP301 4.5 29.8 1.0 O2B A:ADP301 4.6 33.0 1.0 CA A:ASN107 4.6 22.5 1.0 OD1 A:ASP110 4.6 31.1 1.0 N A:ASN107 4.7 24.0 1.0 O A:HOH595 4.7 56.2 1.0 C A:GLY198 4.9 31.3 1.0 N A:PHE199 4.9 29.7 1.0 N A:GLY198 5.0 34.4 1.0

Magnesium binding site 2 out of 2 in the Ligand Induced Conformational Shift in the N-Terminal Domain of GRP94, Open Conformation Adp-Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Ligand Induced Conformational Shift in the N-Terminal Domain of GRP94, Open Conformation Adp-Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg802 b:53.5 occ:1.00 O B:HOH823 2.3 44.2 1.0 OD1 B:ASN107 2.3 39.7 1.0 O B:HOH824 2.3 40.9 1.0 O2A B:ADP601 2.3 38.2 1.0 O B:HOH825 2.3 45.1 1.0 O1B B:ADP601 2.4 46.3 1.0 CG B:ASN107 3.2 38.9 1.0 PB B:ADP601 3.5 47.4 1.0 ND2 B:ASN107 3.5 35.0 1.0 PA B:ADP601 3.6 41.6 1.0 O3A B:ADP601 3.8 46.2 1.0 O B:HOH826 4.0 50.1 1.0 O3B B:ADP601 4.0 51.0 1.0 OG B:SER106 4.1 45.1 1.0 OE1 B:GLU103 4.1 46.5 1.0 CA B:GLY198 4.2 42.0 1.0 O B:GLU103 4.2 38.9 1.0 O B:HOH831 4.3 40.6 1.0 CB B:ASN107 4.4 37.7 1.0 O5' B:ADP601 4.4 41.9 1.0 N B:ASN107 4.5 38.7 1.0 NZ A:LYS95 4.5 58.3 1.0 CB B:SER106 4.6 43.1 1.0 CA B:ASN107 4.6 38.2 1.0 N B:GLY198 4.7 43.0 1.0 O1A B:ADP601 4.7 39.9 1.0 C B:GLY198 4.8 40.5 1.0 N B:PHE199 4.8 41.6 1.0 O2B B:ADP601 4.9 48.9 1.0 OD1 B:ASP110 4.9 42.5 1.0

R.M.Immormino, D.E.Dollins, P.L.Shaffer, K.L.Soldano, M.A.Walker, D.T.Gewirth. Ligand-Induced Conformational Shift in the N-Terminal Domain of GRP94, An HSP90 Chaperone. J.Biol.Chem. V. 279 46162 2004.
ISSN: ISSN 0021-9258
PubMed: 15292259
DOI: 10.1074/JBC.M405253200