Magnesium in PDB 2o1u: Structure of Full Length GRP94 with Amp-Pnp Bound

The structure of Structure of Full Length GRP94 with Amp-Pnp Bound, PDB code: 2o1u was solved by D.E.Dollins, J.J.Warren, R.M.Immormino, D.T.Gewirth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.89 / 2.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	99.330, 109.260, 148.887, 90.00, 90.00, 90.00
R / Rfree (%)	24.3 / 28.9

The binding sites of Magnesium atom in the Structure of Full Length GRP94 with Amp-Pnp Bound (pdb code 2o1u). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 5 binding sites of Magnesium where determined in the Structure of Full Length GRP94 with Amp-Pnp Bound, PDB code: 2o1u:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5;

Magnesium binding site 1 out of 5 in the Structure of Full Length GRP94 with Amp-Pnp Bound


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Full Length GRP94 with Amp-Pnp Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:32.5 occ:1.00 O2B A:ANP755 1.8 43.8 1.0 O1A A:ANP755 2.2 42.9 1.0 OD1 A:ASN107 2.2 22.6 1.0 O1G A:ANP755 2.4 47.1 1.0 PB A:ANP755 2.8 44.3 1.0 PG A:ANP755 3.1 46.4 1.0 O2G A:ANP755 3.1 46.8 1.0 O3A A:ANP755 3.1 44.8 1.0 PA A:ANP755 3.1 43.7 1.0 CG A:ASN107 3.3 23.9 1.0 N3B A:ANP755 3.4 44.7 1.0 ND2 A:ASN107 3.8 22.6 1.0 O5' A:ANP755 4.0 43.8 1.0 O1B A:ANP755 4.2 43.4 1.0 O A:GLU103 4.4 29.2 1.0 OG A:SER106 4.4 25.5 1.0 O2A A:ANP755 4.5 44.7 1.0 O3G A:ANP755 4.5 47.5 1.0 CB A:ASN107 4.6 24.7 1.0 CA A:GLY198 4.6 44.3 1.0 OD1 A:ASP110 4.6 28.0 1.0 N A:ASN107 4.7 25.1 1.0 CA A:ASN107 4.7 24.9 1.0 OE1 A:GLU103 4.7 31.3 1.0 CB A:SER106 4.9 25.5 1.0

Magnesium binding site 2 out of 5 in the Structure of Full Length GRP94 with Amp-Pnp Bound


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of Full Length GRP94 with Amp-Pnp Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:48.9 occ:1.00 O A:HOH863 2.6 15.5 1.0 O A:HOH865 2.7 24.3 1.0 OE1 A:GLU740 3.1 28.9 1.0 OD2 A:ASP737 3.3 17.3 1.0 CG A:ASP737 3.5 18.7 1.0 OE2 A:GLU740 3.5 29.8 1.0 CD A:GLU740 3.5 29.4 1.0 OD1 A:ASP737 3.7 17.5 1.0 O A:HOH864 3.8 24.2 1.0 CB A:ASP737 4.2 17.8 1.0 O B:GLU642 4.4 37.5 1.0 O B:HOH802 4.5 22.1 1.0 CA A:ASP737 4.5 18.2 1.0 CG A:GLU740 4.8 29.2 1.0 O B:HOH841 4.8 32.7 1.0 CB B:GLU642 4.9 38.5 1.0

Magnesium binding site 3 out of 5 in the Structure of Full Length GRP94 with Amp-Pnp Bound


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structure of Full Length GRP94 with Amp-Pnp Bound within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg301 b:36.3 occ:1.00 OD1 B:ASN107 2.3 25.2 1.0 O1G B:ANP755 2.4 44.5 1.0 O1A B:ANP755 2.7 42.1 1.0 O B:GLU103 3.2 31.8 1.0 CG B:ASN107 3.2 24.9 1.0 OE1 B:GLU103 3.4 37.3 1.0 ND2 B:ASN107 3.6 24.2 1.0 CB B:GLU103 3.8 33.0 1.0 PG B:ANP755 3.8 43.9 1.0 CA B:GLU103 3.9 32.6 1.0 C B:GLU103 3.9 31.8 1.0 O2B B:ANP755 3.9 44.7 1.0 CA B:GLY198 4.0 44.7 1.0 PA B:ANP755 4.1 42.2 1.0 C B:GLY198 4.2 44.4 1.0 CB B:SER106 4.3 25.7 1.0 N B:ASN107 4.3 25.3 1.0 OG B:SER106 4.4 26.1 1.0 CB B:ASN107 4.4 25.0 1.0 CD B:GLU103 4.4 36.1 1.0 O3G B:ANP755 4.5 44.4 1.0 N B:GLY198 4.5 45.2 1.0 O B:GLY198 4.5 44.4 1.0 O3A B:ANP755 4.6 42.8 1.0 O2G B:ANP755 4.6 44.3 1.0 CG B:GLU103 4.7 34.0 1.0 CA B:ASN107 4.7 25.0 1.0 PB B:ANP755 4.7 43.1 1.0 N B:PHE199 4.7 43.9 1.0 N3B B:ANP755 4.8 43.7 1.0 C B:SER106 5.0 25.6 1.0

Magnesium binding site 4 out of 5 in the Structure of Full Length GRP94 with Amp-Pnp Bound


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Structure of Full Length GRP94 with Amp-Pnp Bound within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg304 b:27.3 occ:1.00 OD2 B:ASP737 3.3 10.3 1.0 OE2 B:GLU740 3.3 21.5 1.0 CG B:ASP737 3.8 13.8 1.0 OD1 B:ASP737 4.2 15.7 1.0 CD B:GLU740 4.3 24.4 1.0 CB B:ASP737 4.5 13.3 1.0 O A:GLU642 4.7 32.2 1.0 OE1 B:GLU740 5.0 23.5 1.0

Magnesium binding site 5 out of 5 in the Structure of Full Length GRP94 with Amp-Pnp Bound


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Structure of Full Length GRP94 with Amp-Pnp Bound within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg305 b:32.0 occ:1.00 OE2 B:GLU478 4.9 42.5 1.0

D.E.Dollins, J.J.Warren, R.M.Immormino, D.T.Gewirth. Structures of GRP94-Nucleotide Complexes Reveal Mechanistic Differences Between the HSP90 Chaperones. Mol.Cell V. 28 41 2007.
ISSN: ISSN 1097-2765
PubMed: 17936703
DOI: 10.1016/J.MOLCEL.2007.08.024