Atomistry » Sodium » PDB 3p2y-3pkh » 3p8n
Atomistry »
  Sodium »
    PDB 3p2y-3pkh »
      3p8n »

Sodium in PDB 3p8n: Crystal Structure of Hcv NS3/NS4A Protease Complexed with Bi 201335

Enzymatic activity of Crystal Structure of Hcv NS3/NS4A Protease Complexed with Bi 201335

All present enzymatic activity of Crystal Structure of Hcv NS3/NS4A Protease Complexed with Bi 201335:
3.4.21.98;

Protein crystallography data

The structure of Crystal Structure of Hcv NS3/NS4A Protease Complexed with Bi 201335, PDB code: 3p8n was solved by C.T.Lemke, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.00 / 1.90
Space group P 61
Cell size a, b, c (Å), α, β, γ (°) 94.874, 94.874, 81.880, 90.00, 90.00, 120.00
R / Rfree (%) 20.3 / 24.2

Other elements in 3p8n:

The structure of Crystal Structure of Hcv NS3/NS4A Protease Complexed with Bi 201335 also contains other interesting chemical elements:

Bromine (Br) 2 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the Crystal Structure of Hcv NS3/NS4A Protease Complexed with Bi 201335 (pdb code 3p8n). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Crystal Structure of Hcv NS3/NS4A Protease Complexed with Bi 201335, PDB code: 3p8n:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in 3p8n

Go back to Sodium Binding Sites List in 3p8n
Sodium binding site 1 out of 2 in the Crystal Structure of Hcv NS3/NS4A Protease Complexed with Bi 201335


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of Hcv NS3/NS4A Protease Complexed with Bi 201335 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na187

b:36.8
occ:1.00
O A:ALA5 2.1 30.0 1.0
O A:ALA111 2.3 28.9 1.0
O A:HOH189 2.4 27.7 1.0
O A:HOH220 2.6 43.2 1.0
O A:HOH236 2.7 48.8 1.0
O A:HOH202 3.0 36.4 1.0
C A:ALA5 3.2 30.8 1.0
C A:ALA111 3.5 31.2 1.0
N A:ALA5 3.8 33.4 1.0
CA A:ALA5 4.0 31.2 1.0
CB A:ALA111 4.0 31.9 1.0
N A:TYR6 4.2 30.8 1.0
O A:HOH216 4.2 41.8 1.0
CB A:ALA5 4.3 29.5 1.0
N A:ASP112 4.4 32.2 1.0
CA A:TYR6 4.4 29.7 1.0
O A:HOH201 4.4 36.1 1.0
CA A:ALA111 4.4 30.8 1.0
CA A:ASP112 4.4 34.7 1.0
OD2 A:ASP112 4.6 43.0 1.0
O A:HOH203 5.0 37.7 1.0
O A:HIS110 5.0 34.5 1.0
CB A:TYR6 5.0 29.8 1.0

Sodium binding site 2 out of 2 in 3p8n

Go back to Sodium Binding Sites List in 3p8n
Sodium binding site 2 out of 2 in the Crystal Structure of Hcv NS3/NS4A Protease Complexed with Bi 201335


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Crystal Structure of Hcv NS3/NS4A Protease Complexed with Bi 201335 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Na187

b:32.4
occ:1.00
O B:ALA5 2.2 27.1 1.0
O B:ALA111 2.3 30.0 1.0
O B:HOH190 2.4 25.5 1.0
O B:HOH221 2.5 42.5 1.0
O B:HOH216 2.6 41.4 1.0
O B:HOH223 2.6 43.2 1.0
C B:ALA5 3.4 26.9 1.0
C B:ALA111 3.5 31.8 1.0
N B:ALA5 3.9 29.3 1.0
CB B:ALA111 4.0 31.9 1.0
CA B:ALA5 4.1 27.6 1.0
O B:HOH242 4.3 49.1 1.0
N B:TYR6 4.3 26.1 1.0
N B:ASP112 4.3 31.1 1.0
O B:HOH208 4.3 37.4 1.0
CA B:ALA111 4.4 31.0 1.0
CA B:TYR6 4.4 26.4 1.0
CA B:ASP112 4.4 33.0 1.0
OD1 B:ASP112 4.5 40.1 1.0
O B:HOH206 4.5 36.4 1.0
CB B:ALA5 4.5 27.4 1.0
O B:HIS110 4.9 36.8 1.0
O B:HOH201 5.0 34.6 1.0

Reference:

C.T.Lemke, N.Goudreau, S.Zhao, O.Hucke, D.Thibeault, M.Llinas-Brunet, P.W.White. Combined X-Ray, uc(Nmr), and Kinetic Analyses Reveal Uncommon Binding Characteristics of the Hepatitis C Virus NS3-NS4A Protease Inhibitor Bi 201335. J.Biol.Chem. V. 286 11434 2011.
ISSN: ISSN 0021-9258
PubMed: 21270126
DOI: 10.1074/JBC.M110.211417
Page generated: Tue Dec 15 06:20:52 2020

Last articles

Zn in 7RRP
Zn in 7OKY
Zn in 7OL0
Zn in 7OKX
Zn in 7ONB
Zn in 7RSF
Zn in 7OUF
Zn in 7OUG
Zn in 7OUH
Zn in 7RGN
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy