Atomistry » Sodium » PDB 2ply-2qd6 » 2qci
Atomistry »
  Sodium »
    PDB 2ply-2qd6 »
      2qci »

Sodium in PDB 2qci: Hiv-1 Protease Mutant D30N with Potent Antiviral Inhibitor Grl-98065

Enzymatic activity of Hiv-1 Protease Mutant D30N with Potent Antiviral Inhibitor Grl-98065

All present enzymatic activity of Hiv-1 Protease Mutant D30N with Potent Antiviral Inhibitor Grl-98065:
3.4.23.16;

Protein crystallography data

The structure of Hiv-1 Protease Mutant D30N with Potent Antiviral Inhibitor Grl-98065, PDB code: 2qci was solved by Y.F.Wang, Y.Tie, P.I.Boross, J.Tozser, A.K.Ghosh, R.W.Harrison, I.T.Weber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 1.20
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 58.420, 86.231, 46.008, 90.00, 90.00, 90.00
R / Rfree (%) 16 / 19.6

Other elements in 2qci:

The structure of Hiv-1 Protease Mutant D30N with Potent Antiviral Inhibitor Grl-98065 also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the Hiv-1 Protease Mutant D30N with Potent Antiviral Inhibitor Grl-98065 (pdb code 2qci). 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 Hiv-1 Protease Mutant D30N with Potent Antiviral Inhibitor Grl-98065, PDB code: 2qci:

Sodium binding site 1 out of 1 in 2qci

Go back to Sodium Binding Sites List in 2qci
Sodium binding site 1 out of 1 in the Hiv-1 Protease Mutant D30N with Potent Antiviral Inhibitor Grl-98065


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Hiv-1 Protease Mutant D30N with Potent Antiviral Inhibitor Grl-98065 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na500

b:19.7
occ:1.00
 O A:HOH533 2.3 21.2 1.0
O A:ASP60 2.4 14.8 1.0
O A:HOH524 2.4 21.8 1.0
O A:HOH515 2.4 19.1 1.0
O A:HOH547 2.4 30.4 1.0
O A:HOH530 2.7 26.3 1.0
C A:ASP60 3.4 13.6 1.0
N A:ASP60 3.7 12.9 1.0
CA A:ASP60 4.0 14.1 1.0
O A:ARG41 4.2 16.8 1.0
O A:HOH565 4.2 41.6 1.0
O A:HOH573 4.2 43.3 1.0
CB A:ASP60 4.3 16.1 1.0
N A:ARG41 4.4 21.1 1.0
N A:GLN61 4.5 13.3 1.0
CB A:GLN61 4.5 17.2 1.0
CD1 A:ILE62 4.6 16.3 1.0
O A:GLN61 4.6 17.1 1.0
C A:TYR59 4.7 11.3 1.0
O A:PRO39 4.7 21.0 1.0
CA A:GLY40 4.8 22.9 1.0
C A:GLN61 4.8 13.9 1.0
CA A:GLN61 4.8 14.2 1.0
OE1 A:GLN61 4.9 37.4 1.0
C A:GLY40 5.0 21.0 1.0

Reference:

Y.F.Wang, Y.Tie, P.I.Boross, J.Tozser, A.K.Ghosh, R.W.Harrison, I.T.Weber. Potent New Antiviral Compound Shows Similar Inhibition and Structural Interactions with Drug Resistant Mutants and Wild Type Hiv-1 Protease. J.Med.Chem. V. 50 4509 2007.
ISSN: ISSN 0022-2623
PubMed: 17696515
DOI: 10.1021/JM070482Q
Page generated: Mon Oct 7 03:49:19 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy