Atomistry » Sodium » PDB 5vy2-5wjo » 5vyy
Atomistry »
  Sodium »
    PDB 5vy2-5wjo »
      5vyy »

Sodium in PDB 5vyy: Structure of Human HSP90-Alpha Bound to Resorcinylic Inhibitor Bnim

Protein crystallography data

The structure of Structure of Human HSP90-Alpha Bound to Resorcinylic Inhibitor Bnim, PDB code: 5vyy was solved by N.S.Que, D.T.Gewirth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 33.51 / 1.79
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 67.075, 92.055, 85.262, 90.00, 90.00, 90.00
R / Rfree (%) 18.4 / 21.9

Other elements in 5vyy:

The structure of Structure of Human HSP90-Alpha Bound to Resorcinylic Inhibitor Bnim also contains other interesting chemical elements:

Magnesium (Mg) 1 atom
Chlorine (Cl) 1 atom

Sodium Binding Sites:

The binding sites of Sodium atom in the Structure of Human HSP90-Alpha Bound to Resorcinylic Inhibitor Bnim (pdb code 5vyy). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Structure of Human HSP90-Alpha Bound to Resorcinylic Inhibitor Bnim, PDB code: 5vyy:

Sodium binding site 1 out of 1 in 5vyy

Go back to Sodium Binding Sites List in 5vyy
Sodium binding site 1 out of 1 in the Structure of Human HSP90-Alpha Bound to Resorcinylic Inhibitor Bnim


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Structure of Human HSP90-Alpha Bound to Resorcinylic Inhibitor Bnim within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na306

b:36.0
occ:0.50
O A:ASP193 2.5 35.8 1.0
O A:HOH428 2.6 43.1 1.0
HE21 A:GLN194 3.3 37.8 1.0
HB2 A:ASP193 3.4 49.3 1.0
NE2 A:GLN194 3.6 31.5 1.0
C A:ASP193 3.7 38.0 1.0
HE22 A:GLN194 3.8 37.8 1.0
O A:HOH513 4.0 31.4 1.0
CB A:ASP193 4.1 41.1 1.0
HA A:GLN194 4.1 40.2 1.0
CD A:GLN194 4.2 32.0 1.0
OD2 A:ASP193 4.3 54.8 1.0
CG A:ASP193 4.3 45.7 1.0
OE1 A:GLN194 4.4 29.7 1.0
CA A:ASP193 4.4 40.9 1.0
OE1 A:GLU196 4.5 34.2 1.0
HA A:ASP193 4.6 49.1 1.0
O A:HOH514 4.7 35.2 1.0
N A:GLN194 4.7 32.0 1.0
CA A:GLN194 4.9 33.5 1.0
HB3 A:ASP193 4.9 49.3 1.0
OD1 A:ASP193 4.9 45.4 1.0
HG2 A:GLN194 5.0 38.7 1.0

Reference:

N.L.S.Que, V.M.Crowley, A.S.Duerfeldt, J.Zhao, C.N.Kent, B.S.J.Blagg, D.T.Gewirth. Structure Based Design of A GRP94-Selective Inhibitor: Exploiting A Key Residue in GRP94 to Optimize Paralog-Selective Binding. J. Med. Chem. V. 61 2793 2018.
ISSN: ISSN 1520-4804
PubMed: 29528635
DOI: 10.1021/ACS.JMEDCHEM.7B01608
Page generated: Tue Oct 8 00:57:26 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy