Magnesium in PDB 6cyg: HSP90-Alpha N-Domain Bound to Neoca

The structure of HSP90-Alpha N-Domain Bound to Neoca, PDB code: 6cyg was solved by J.D.Huck, C.Campomizzi, D.T.Gewirth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.94 / 1.50
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	64.397, 89.271, 99.067, 90.00, 90.00, 90.00
R / Rfree (%)	16.9 / 19.5

The binding sites of Magnesium atom in the HSP90-Alpha N-Domain Bound to Neoca (pdb code 6cyg). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the HSP90-Alpha N-Domain Bound to Neoca, PDB code: 6cyg:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the HSP90-Alpha N-Domain Bound to Neoca


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of HSP90-Alpha N-Domain Bound to Neoca within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:25.2 occ:1.00 ND2 A:ASN155 2.9 18.2 0.5 O A:HOH460 3.1 18.1 1.0 O A:HOH419 3.4 41.0 1.0 CB A:ASN155 3.4 19.4 0.5 ND2 A:ASN155 3.5 18.7 0.5 CD1 A:ILE96 3.5 19.9 0.5 CD A:LYS69 3.6 26.2 1.0 CG A:ASN155 3.6 17.4 0.5 OE1 A:GLU62 3.6 45.8 1.0 CB A:ASN155 3.6 19.6 0.5 CE A:LYS69 3.8 28.4 1.0 CE1 A:HIS154 3.8 22.6 1.0 CG A:LYS69 3.9 23.9 1.0 CG A:ASN155 4.0 19.1 0.5 NE2 A:HIS154 4.2 22.3 1.0 CD1 A:ILE96 4.2 22.1 0.5 CD1 A:ILE59 4.3 20.3 1.0 NZ A:LYS69 4.3 37.5 1.0 CB A:LYS69 4.4 23.6 1.0 ND1 A:HIS154 4.4 20.3 1.0 CA A:ASN155 4.6 17.9 0.5 N A:ASN155 4.6 17.3 0.5 N A:ASN155 4.7 17.3 0.5 CG1 A:ILE96 4.7 19.7 0.5 CA A:ASN155 4.7 17.3 0.5 CG1 A:ILE96 4.7 19.7 0.5 CD A:GLU62 4.7 43.6 1.0 OD1 A:ASN155 4.8 20.5 0.5 OD1 A:ASP156 4.8 28.4 0.5

Magnesium binding site 2 out of 2 in the HSP90-Alpha N-Domain Bound to Neoca


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of HSP90-Alpha N-Domain Bound to Neoca within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg301 b:18.5 occ:1.00 OG B:SER113 2.9 22.1 1.0 O B:HOH691 3.0 32.6 1.0 O B:HOH602 3.1 20.9 1.0 N B:SER113 3.3 19.4 1.0 CB B:SER113 3.6 21.2 1.0 C B:ILE110 3.6 19.7 1.0 O B:ILE110 3.7 18.1 1.0 CA B:ILE110 3.7 19.1 1.0 CB B:ILE110 3.8 19.5 1.0 N B:LYS112 3.9 20.3 1.0 CA B:SER113 4.0 19.5 1.0 CB B:LYS112 4.0 25.1 1.0 N B:ALA111 4.2 19.1 1.0 CA B:LYS112 4.3 20.6 1.0 C B:LYS112 4.3 22.8 1.0 CG2 B:ILE110 4.3 19.8 1.0 C B:ALA111 4.7 18.5 1.0 O B:HOH635 4.8 31.3 1.0 N B:GLY114 4.9 18.9 1.0

J.D.Huck, N.L.S.Que, R.M.Immormino, L.Shrestha, T.Taldone, G.Chiosis, D.T.Gewirth. Neca Derivatives Exploit the Paralog-Specific Properties of the Site 3 Side Pocket of GRP94, the Endoplasmic Reticulum HSP90. J.Biol.Chem. V. 294 16010 2019.
ISSN: ESSN 1083-351X
PubMed: 31501246
DOI: 10.1074/JBC.RA119.009960