Magnesium in PDB 6cyh: HSP90-Alpha N-Domain Bound to Neaca

The structure of HSP90-Alpha N-Domain Bound to Neaca, PDB code: 6cyh 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)	36.58 / 1.49
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	64.426, 88.873, 99.001, 90.00, 90.00, 90.00
R / Rfree (%)	16.4 / 18.2

The binding sites of Magnesium atom in the HSP90-Alpha N-Domain Bound to Neaca (pdb code 6cyh). 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 Neaca, PDB code: 6cyh:
Jump to Magnesium binding site number: 1; 2;

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


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 Neaca within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:17.7 occ:1.00 O A:HOH515 3.0 21.9 1.0 N5' A:N5A301 3.1 13.6 0.3 N5' A:N5A301 3.1 14.2 0.7 N A:LYS112 3.3 15.8 1.0 O A:HOH402 3.3 40.8 1.0 N53 A:N5A301 3.4 12.0 0.3 CB A:ALA111 3.4 16.6 1.0 O3' A:N5A301 3.5 16.8 0.3 N A:SER113 3.7 15.6 1.0 O A:ILE110 3.8 13.7 1.0 C52 A:N5A301 3.8 13.9 0.7 O3' A:N5A301 3.8 17.5 0.7 C52 A:N5A301 3.9 13.9 0.3 C4' A:N5A301 3.9 15.1 0.3 CA A:LYS112 3.9 16.1 1.0 C4' A:N5A301 3.9 15.9 0.7 C5' A:N5A301 3.9 15.0 0.3 C51 A:N5A301 4.0 15.6 0.3 CB A:LYS112 4.0 21.3 1.0 C51 A:N5A301 4.0 15.5 0.7 C A:LYS112 4.0 18.4 1.0 CB A:SER113 4.0 16.9 1.0 C5' A:N5A301 4.0 15.0 0.7 C A:ALA111 4.2 16.8 1.0 CA A:SER113 4.3 15.0 1.0 C3' A:N5A301 4.3 16.1 0.3 CA A:ALA111 4.4 16.3 1.0 N53 A:N5A301 4.5 13.0 0.7 C3' A:N5A301 4.5 15.5 0.7 O A:ASN106 4.6 16.1 1.0 OG A:SER113 4.7 15.2 1.0 C A:ILE110 4.7 15.4 1.0 O A:LYS112 4.8 21.7 1.0 OD1 A:ASN106 4.8 24.1 1.0 O A:GLY135 4.9 14.3 1.0 O2' A:N5A301 4.9 20.0 0.7 CG A:LYS112 4.9 31.0 1.0 O2' A:N5A301 5.0 16.6 0.3

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


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 Neaca within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:23.1 occ:1.00 O A:HOH405 2.9 39.2 1.0 ND2 A:ASN155 3.0 17.8 0.5 O A:HOH461 3.1 16.1 1.0 CB A:ASN155 3.5 16.5 0.5 ND2 A:ASN155 3.5 17.8 0.5 CB A:ASN155 3.6 16.8 0.5 CD A:LYS69 3.7 23.3 1.0 CG A:ASN155 3.7 15.6 0.5 OE1 A:GLU62 3.7 39.3 1.0 CD1 A:ILE96 3.7 26.1 1.0 CE1 A:HIS154 3.7 18.9 1.0 CE A:LYS69 3.8 25.1 1.0 CG A:LYS69 3.9 21.8 1.0 CG A:ASN155 4.0 16.8 0.5 NE2 A:HIS154 4.2 19.8 1.0 CD1 A:ILE59 4.3 19.0 1.0 ND1 A:HIS154 4.4 18.5 1.0 CB A:LYS69 4.4 21.0 1.0 NZ A:LYS69 4.4 30.7 1.0 CA A:ASN155 4.6 17.0 0.5 N A:ASN155 4.6 16.3 0.5 N A:ASN155 4.6 16.3 0.5 CA A:ASN155 4.7 16.3 0.5 OD1 A:ASP156 4.8 26.4 0.5 CG1 A:ILE96 4.8 20.1 1.0 CD A:GLU62 4.8 38.0 1.0 OD1 A:ASN155 4.9 18.3 0.5 OD2 A:ASP156 5.0 23.4 0.5

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