Atomistry » Potassium » PDB 2c44-2frz » 2fde
Atomistry »
  Potassium »
    PDB 2c44-2frz »
      2fde »

Potassium in PDB 2fde: Wild Type Hiv Protease Bound with GW0385

Enzymatic activity of Wild Type Hiv Protease Bound with GW0385

All present enzymatic activity of Wild Type Hiv Protease Bound with GW0385:
3.4.23.16;

Protein crystallography data

The structure of Wild Type Hiv Protease Bound with GW0385, PDB code: 2fde was solved by R.X.Xu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.70
Space group P 61
Cell size a, b, c (Å), α, β, γ (°) 62.887, 62.887, 82.608, 90.00, 90.00, 120.00
R / Rfree (%) 20.4 / 28

Potassium Binding Sites:

The binding sites of Potassium atom in the Wild Type Hiv Protease Bound with GW0385 (pdb code 2fde). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 4 binding sites of Potassium where determined in the Wild Type Hiv Protease Bound with GW0385, PDB code: 2fde:
Jump to Potassium binding site number: 1; 2; 3; 4;

Potassium binding site 1 out of 4 in 2fde

Go back to Potassium Binding Sites List in 2fde
Potassium binding site 1 out of 4 in the Wild Type Hiv Protease Bound with GW0385


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Wild Type Hiv Protease Bound with GW0385 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K202

b:22.0
occ:1.00
O A:THR12 3.1 20.3 1.0
CG2 A:THR12 3.3 14.4 1.0
O A:HOH239 3.4 39.5 1.0
O A:HOH210 3.5 26.8 1.0
N A:GLY68 3.7 35.4 1.0
C A:THR12 3.8 17.7 1.0
OE1 A:GLU65 4.0 38.0 1.0
O A:GLU65 4.1 34.1 1.0
N A:CYS67 4.1 34.4 1.0
C A:ILE13 4.2 17.0 1.0
CB A:GLU65 4.2 31.9 1.0
CB A:THR12 4.3 17.0 1.0
CA A:ILE13 4.3 16.5 1.0
N A:LYS14 4.3 17.4 1.0
CB A:LYS14 4.4 21.2 1.0
CA A:CYS67 4.4 35.3 1.0
N A:ILE13 4.4 14.7 1.0
CA A:GLY68 4.5 35.2 1.0
C A:CYS67 4.5 36.4 1.0
C A:GLU65 4.5 31.5 1.0
O A:ILE13 4.5 17.3 1.0
CA A:THR12 4.7 17.8 1.0
CD A:GLU65 4.8 37.4 1.0
C A:ILE66 4.8 33.5 1.0
CA A:LYS14 4.9 19.5 1.0
N A:ILE66 5.0 32.8 1.0

Potassium binding site 2 out of 4 in 2fde

Go back to Potassium Binding Sites List in 2fde
Potassium binding site 2 out of 4 in the Wild Type Hiv Protease Bound with GW0385


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Wild Type Hiv Protease Bound with GW0385 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K203

b:34.2
occ:1.00
N A:LEU63 3.3 23.5 1.0
CA A:ILE62 3.8 23.1 1.0
CD1 A:ILE62 3.9 27.0 1.0
CB A:LEU63 4.0 27.3 1.0
C A:ILE62 4.0 24.0 1.0
O A:GLN61 4.1 25.2 1.0
CA A:LEU63 4.2 22.9 1.0
CG2 A:ILE62 4.4 19.9 1.0
CB A:ILE62 4.6 22.8 1.0
O A:LEU63 4.6 21.5 1.0
N A:ILE62 4.9 23.5 1.0
CG1 A:ILE62 4.9 25.2 1.0
C A:GLN61 4.9 27.0 1.0
C A:LEU63 4.9 20.7 1.0

Potassium binding site 3 out of 4 in 2fde

Go back to Potassium Binding Sites List in 2fde
Potassium binding site 3 out of 4 in the Wild Type Hiv Protease Bound with GW0385


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Wild Type Hiv Protease Bound with GW0385 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K201

b:18.8
occ:1.00
O B:THR12 2.9 18.4 1.0
N B:GLY68 3.7 33.7 1.0
C B:THR12 3.8 16.2 1.0
CA B:ILE13 4.0 15.8 1.0
N B:CYS67 4.0 34.1 1.0
OE1 B:GLU65 4.1 45.3 1.0
C B:ILE13 4.1 16.6 1.0
CG2 B:THR12 4.2 13.0 1.0
O B:GLU65 4.2 30.7 1.0
N B:LYS14 4.2 16.1 1.0
CA B:CYS67 4.2 34.5 1.0
N B:ILE13 4.3 14.7 1.0
CB B:GLU65 4.3 32.1 1.0
C B:CYS67 4.4 35.0 1.0
CA B:GLY68 4.5 33.2 1.0
C B:GLU65 4.5 29.3 1.0
CB B:LYS14 4.5 21.2 1.0
CB B:THR12 4.6 13.8 1.0
O B:ILE13 4.7 17.0 1.0
C B:ILE66 4.8 32.7 1.0
CA B:THR12 4.8 15.7 1.0
CD B:GLU65 4.9 42.0 1.0
CA B:LYS14 5.0 17.7 1.0

Potassium binding site 4 out of 4 in 2fde

Go back to Potassium Binding Sites List in 2fde
Potassium binding site 4 out of 4 in the Wild Type Hiv Protease Bound with GW0385


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Wild Type Hiv Protease Bound with GW0385 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K204

b:38.2
occ:1.00
N B:LEU63 3.3 28.4 1.0
CA B:ILE62 3.7 32.2 1.0
CB B:ILE62 3.9 33.1 1.0
C B:ILE62 4.0 30.2 1.0
CB B:LEU63 4.1 24.5 1.0
CA B:LEU63 4.2 24.0 1.0
O B:GLN61 4.3 39.7 1.0
CG1 B:ILE62 4.4 32.2 1.0
O B:LEU63 4.6 21.9 1.0
CD1 B:ILE62 4.8 34.5 1.0
N B:ILE62 4.9 35.1 1.0
C B:LEU63 4.9 22.1 1.0

Reference:

J.F.Miller, C.W.Andrews, M.Brieger, E.S.Furfine, M.R.Hale, M.H.Hanlon, R.J.Hazen, I.Kaldor, E.W.Mclean, D.Reynolds, D.M.Sammond, A.Spaltenstein, R.Tung, E.M.Turner, R.X.Xu, R.G.Sherrill. Ultra-Potent P1 Modified Arylsulfonamide Hiv Protease Inhibitors: the Discovery of GW0385. Bioorg.Med.Chem.Lett. V. 16 1788 2006.
ISSN: ISSN 0960-894X
PubMed: 16458505
DOI: 10.1016/J.BMCL.2006.01.035
Page generated: Sun Dec 13 23:09:37 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy