Magnesium in PDB 6gqs: Structure of Human Heat Shock Protein 90-Alpha N-Terminal Domain (HSP90-Ntd) Variant K112R in Complex with Ampcp

The structure of Structure of Human Heat Shock Protein 90-Alpha N-Terminal Domain (HSP90-Ntd) Variant K112R in Complex with Ampcp, PDB code: 6gqs was solved by G.Tassone, C.Pozzi, S.Mangani, M.Botta, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.79 / 1.43
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	53.791, 42.173, 54.572, 90.00, 116.61, 90.00
R / Rfree (%)	16.2 / 18.6

The binding sites of Magnesium atom in the Structure of Human Heat Shock Protein 90-Alpha N-Terminal Domain (HSP90-Ntd) Variant K112R in Complex with Ampcp (pdb code 6gqs). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure of Human Heat Shock Protein 90-Alpha N-Terminal Domain (HSP90-Ntd) Variant K112R in Complex with Ampcp, PDB code: 6gqs:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of Human Heat Shock Protein 90-Alpha N-Terminal Domain (HSP90-Ntd) Variant K112R in Complex with Ampcp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Human Heat Shock Protein 90-Alpha N-Terminal Domain (HSP90-Ntd) Variant K112R in Complex with Ampcp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:22.4 occ:0.90 O A:HOH468 2.0 24.8 0.9 O A:HOH462 2.1 24.2 0.9 O A:HOH579 2.7 26.5 0.9 OG A:SER53 3.7 16.5 1.0 O A:HOH482 3.8 27.4 1.0 OD2 A:ASP57 4.0 17.8 1.0 O A:PHE213 4.0 19.0 1.0 O A:ILE214 4.2 17.4 1.0 O A:HOH670 4.2 30.5 1.0 O A:HOH520 4.7 26.0 1.0 OD1 A:ASP57 4.8 17.3 1.0 CG A:ASP57 4.8 14.7 1.0 O A:HOH696 4.9 38.3 1.0 C A:ILE214 4.9 17.3 1.0 CB A:SER53 5.0 12.0 1.0

Magnesium binding site 2 out of 2 in the Structure of Human Heat Shock Protein 90-Alpha N-Terminal Domain (HSP90-Ntd) Variant K112R in Complex with Ampcp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of Human Heat Shock Protein 90-Alpha N-Terminal Domain (HSP90-Ntd) Variant K112R in Complex with Ampcp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:11.6 occ:1.00 O A:HOH452 2.0 9.3 0.5 O1A A:A12301 2.0 11.1 1.0 O3B A:A12301 2.0 13.8 1.0 O A:HOH467 2.1 13.9 1.0 OD1 A:ASN51 2.1 9.9 1.0 O A:HOH452 2.3 13.9 0.5 O A:HOH480 2.4 17.2 1.0 CG A:ASN51 3.1 9.3 1.0 PB A:A12301 3.2 12.3 1.0 PA A:A12301 3.2 10.6 1.0 ND2 A:ASN51 3.5 9.0 1.0 C3A A:A12301 3.5 11.7 1.0 O5' A:A12301 3.8 10.6 1.0 O1B A:A12301 3.9 14.7 1.0 O A:HOH461 3.9 14.1 1.0 O A:HOH654 4.1 27.5 1.0 OG A:SER50 4.1 10.0 0.3 O A:HOH503 4.2 13.8 0.5 OE1 A:GLU47 4.2 11.9 1.0 O A:HOH488 4.3 27.1 1.0 O A:GLU47 4.4 8.8 1.0 CB A:ASN51 4.4 8.9 1.0 O2B A:A12301 4.4 13.7 1.0 O2A A:A12301 4.5 10.9 1.0 OG A:SER50 4.6 9.0 0.3 CA A:ASN51 4.6 8.6 1.0 N A:ASN51 4.6 8.5 1.0 OD2 A:ASP54 4.8 13.9 1.0 CA A:GLY137 4.9 9.6 1.0 N A:PHE138 5.0 8.2 1.0

G.Tassone, S.Mangani, M.Botta, C.Pozzi. Probing the Role of ARG97 in Heat Shock Protein 90 N-Terminal Domain From the Parasite Leishmania Braziliensis Through Site-Directed Mutagenesis on the Human Counterpart. Biochim Biophys Acta V.1866 1190 2018PROTEINS Proteom.
ISSN: ISSN 1878-1454
PubMed: 30248409
DOI: 10.1016/J.BBAPAP.2018.09.005