Magnesium in PDB 4ipe: Crystal Structure of Mitochondrial HSP90 (TRAP1) with Amppnp

The structure of Crystal Structure of Mitochondrial HSP90 (TRAP1) with Amppnp, PDB code: 4ipe was solved by J.R.Partridge, L.A.Lavery, D.A.Agard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.24 / 2.29
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	177.977, 96.362, 125.153, 90.00, 134.34, 90.00
R / Rfree (%)	18 / 22.5

The structure of Crystal Structure of Mitochondrial HSP90 (TRAP1) with Amppnp also contains other interesting chemical elements:

Cobalt

(Co)

4 atoms

The binding sites of Magnesium atom in the Crystal Structure of Mitochondrial HSP90 (TRAP1) with Amppnp (pdb code 4ipe). 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 Mitochondrial HSP90 (TRAP1) with Amppnp, PDB code: 4ipe:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Mitochondrial HSP90 (TRAP1) with Amppnp


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 Mitochondrial HSP90 (TRAP1) with Amppnp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg802 b:42.5 occ:1.00 O2G A:ANP801 2.1 37.5 1.0 O A:HOH958 2.1 42.0 1.0 O2B A:ANP801 2.1 36.5 1.0 OD1 A:ASN134 2.1 37.8 1.0 O A:HOH956 2.1 46.9 1.0 O1A A:ANP801 2.2 39.5 1.0 CG A:ASN134 3.1 41.8 1.0 PB A:ANP801 3.2 46.3 1.0 PA A:ANP801 3.3 41.2 1.0 PG A:ANP801 3.4 44.9 1.0 ND2 A:ASN134 3.4 34.4 1.0 O3A A:ANP801 3.6 45.9 1.0 N3B A:ANP801 3.7 48.2 1.0 O A:HOH910 3.8 38.6 1.0 O A:HOH902 3.9 35.1 1.0 O5' A:ANP801 4.1 38.9 1.0 O1G A:ANP801 4.1 46.1 1.0 OE1 A:GLU130 4.2 41.0 1.0 O A:GLU130 4.4 48.0 1.0 CB A:ASN134 4.4 37.3 1.0 CA A:GLY214 4.4 43.4 1.0 O1B A:ANP801 4.5 44.6 1.0 CA A:GLY219 4.5 39.8 1.0 O3G A:ANP801 4.5 42.4 1.0 O2A A:ANP801 4.6 44.0 1.0 N A:ASN134 4.7 36.0 1.0 CA A:ASN134 4.7 41.8 1.0 N A:GLY219 4.7 40.8 1.0 OD2 A:ASP137 4.7 39.9 1.0 N A:PHE220 4.9 43.4 1.0 O A:HOH905 4.9 36.4 1.0 C A:GLY219 4.9 40.3 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Mitochondrial HSP90 (TRAP1) with Amppnp


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 Mitochondrial HSP90 (TRAP1) with Amppnp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg803 b:53.5 occ:1.00 O2B B:ANP802 1.9 47.9 1.0 O2G B:ANP802 1.9 54.8 1.0 OD1 B:ASN134 2.1 51.3 1.0 O B:HOH968 2.1 51.4 1.0 O B:HOH1027 2.1 46.9 1.0 O1A B:ANP802 2.4 51.0 1.0 CG B:ASN134 3.1 50.2 1.0 PB B:ANP802 3.2 55.4 1.0 PG B:ANP802 3.2 54.7 1.0 PA B:ANP802 3.5 59.0 1.0 ND2 B:ASN134 3.5 44.5 1.0 O3A B:ANP802 3.6 51.5 1.0 N3B B:ANP802 3.7 56.8 1.0 O B:HOH905 3.8 42.6 1.0 O B:HOH908 3.9 50.2 1.0 O1G B:ANP802 4.0 54.9 1.0 O5' B:ANP802 4.2 54.1 1.0 O B:GLU130 4.3 48.6 1.0 O3G B:ANP802 4.3 56.5 1.0 CB B:ASN134 4.3 46.8 1.0 CA B:GLY214 4.3 51.4 1.0 OE1 B:GLU130 4.4 54.2 1.0 O1B B:ANP802 4.4 49.7 1.0 CA B:GLY219 4.4 42.5 1.0 N B:ASN134 4.5 44.5 1.0 CA B:ASN134 4.5 46.7 1.0 OD2 B:ASP137 4.7 54.8 1.0 N B:GLY219 4.7 45.3 1.0 O2A B:ANP802 4.7 62.1 1.0 N B:PHE220 4.9 45.1 1.0 CB B:SER133 5.0 44.2 1.0 C B:GLY219 5.0 44.4 1.0

L.A.Lavery, J.R.Partridge, T.A.Ramelot, D.Elnatan, M.A.Kennedy, D.A.Agard. Structural Asymmetry in the Closed State of Mitochondrial HSP90 (TRAP1) Supports A Two-Step Atp Hydrolysis Mechanism. Mol.Cell V. 53 330 2014.
ISSN: ISSN 1097-2765
PubMed: 24462206
DOI: 10.1016/J.MOLCEL.2013.12.023