Magnesium in PDB 1y4s: Conformation Rearrangement of Heat Shock Protein 90 Upon Adp Binding

The structure of Conformation Rearrangement of Heat Shock Protein 90 Upon Adp Binding, PDB code: 1y4s was solved by Q.Huai, H.Wang, Y.Liu, H.Kim, D.Toft, H.Ke, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.90
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	72.500, 84.180, 212.886, 90.00, 90.00, 90.00
R / Rfree (%)	26.9 / 31.4

The binding sites of Magnesium atom in the Conformation Rearrangement of Heat Shock Protein 90 Upon Adp Binding (pdb code 1y4s). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Conformation Rearrangement of Heat Shock Protein 90 Upon Adp Binding, PDB code: 1y4s:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Conformation Rearrangement of Heat Shock Protein 90 Upon Adp Binding


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Conformation Rearrangement of Heat Shock Protein 90 Upon Adp Binding within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg703 b:27.0 occ:1.00 O1A A:ADP701 2.2 22.1 1.0 OD1 A:ASN38 2.3 21.9 1.0 O1B A:ADP701 2.6 26.6 1.0 O3B A:ADP701 2.7 28.0 1.0 OE1 A:GLU34 3.1 41.5 1.0 PB A:ADP701 3.2 26.2 1.0 CG A:ASN38 3.4 18.4 1.0 PA A:ADP701 3.6 24.6 1.0 ND1 A:HIS255 3.7 56.2 1.0 ND2 A:ASN38 3.8 17.8 1.0 O3A A:ADP701 4.0 24.3 1.0 CE1 A:HIS255 4.0 56.1 1.0 CA A:GLY126 4.3 50.9 1.0 CD A:GLU34 4.3 42.3 1.0 O2B A:ADP701 4.4 24.5 1.0 OG A:SER37 4.5 22.4 1.0 OD2 A:ASP41 4.5 40.1 1.0 O5' A:ADP701 4.5 25.5 1.0 O2A A:ADP701 4.5 22.6 1.0 O A:GLU34 4.7 33.3 1.0 CB A:ASN38 4.7 16.5 1.0 OE2 A:GLU34 4.8 43.3 1.0 CA A:ASN38 4.9 17.5 1.0 N A:ASN38 4.9 18.7 1.0 CG A:HIS255 4.9 56.1 1.0

Magnesium binding site 2 out of 2 in the Conformation Rearrangement of Heat Shock Protein 90 Upon Adp Binding


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Conformation Rearrangement of Heat Shock Protein 90 Upon Adp Binding within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg704 b:28.0 occ:1.00 O1B B:ADP702 2.5 39.3 1.0 OD1 B:ASN38 2.5 34.6 1.0 O1A B:ADP702 2.5 38.2 1.0 O3B B:ADP702 2.6 38.0 1.0 PB B:ADP702 2.9 37.8 1.0 OE1 B:GLU34 3.4 49.7 1.0 O3A B:ADP702 3.5 38.3 1.0 PA B:ADP702 3.5 38.7 1.0 CG B:ASN38 3.5 33.0 1.0 ND1 B:HIS255 3.5 61.4 1.0 CE1 B:HIS255 3.8 61.6 1.0 ND2 B:ASN38 3.9 32.9 1.0 OG B:SER37 4.3 37.5 1.0 O2B B:ADP702 4.3 37.7 1.0 O5' B:ADP702 4.4 37.4 1.0 CD B:GLU34 4.5 50.6 1.0 OD2 B:ASP41 4.5 53.4 1.0 CG B:HIS255 4.5 61.3 1.0 O2A B:ADP702 4.7 38.4 1.0 CA B:GLY126 4.7 61.9 1.0 NE2 B:HIS255 4.8 61.6 1.0 O B:GLU34 4.9 43.2 1.0 CB B:ASN38 4.9 32.0 1.0 OE2 B:GLU34 4.9 52.0 1.0

Q.Huai, H.Wang, Y.Liu, H.Y.Kim, D.Toft, H.Ke. Structures of the N-Terminal and Middle Domains of E. Coli HSP90 and Conformation Changes Upon Adp Binding. Structure V. 13 579 2005.
ISSN: ISSN 0969-2126
PubMed: 15837196
DOI: 10.1016/J.STR.2004.12.018