Atomistry » Sodium » PDB 4jes-4jtk » 4jmy
Atomistry »
  Sodium »
    PDB 4jes-4jtk »
      4jmy »

Sodium in PDB 4jmy: Crystal Structure of Hcv NS3/NS4A Protease Complexed with Ddivpc Peptide

Enzymatic activity of Crystal Structure of Hcv NS3/NS4A Protease Complexed with Ddivpc Peptide

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

Protein crystallography data

The structure of Crystal Structure of Hcv NS3/NS4A Protease Complexed with Ddivpc Peptide, PDB code: 4jmy 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) 58.24 / 1.95
Space group P 61
Cell size a, b, c (Å), α, β, γ (°) 94.123, 94.123, 83.236, 90.00, 90.00, 120.00
R / Rfree (%) 21.6 / 25.4

Other elements in 4jmy:

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

Zinc (Zn) 2 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the Crystal Structure of Hcv NS3/NS4A Protease Complexed with Ddivpc Peptide (pdb code 4jmy). 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 Ddivpc Peptide, PDB code: 4jmy:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in 4jmy

Go back to Sodium Binding Sites List in 4jmy
Sodium binding site 1 out of 2 in the Crystal Structure of Hcv NS3/NS4A Protease Complexed with Ddivpc Peptide


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 Ddivpc Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na202

b:40.8
occ:1.00
O A:ALA5 2.5 30.5 1.0
O A:ALA111 2.5 31.3 1.0
O A:HOH340 2.6 41.6 1.0
O A:HOH308 2.7 33.9 1.0
O A:HOH342 2.8 42.6 1.0
O A:HOH336 2.9 41.4 1.0
C A:ALA111 3.5 35.0 1.0
C A:ALA5 3.5 32.1 1.0
CB A:ALA111 4.0 33.2 1.0
N A:ALA5 4.1 36.0 1.0
O A:HOH371 4.1 47.0 1.0
O A:HOH306 4.3 33.0 1.0
CA A:ALA5 4.3 34.3 1.0
N A:ASP112 4.4 33.0 1.0
CA A:ALA111 4.4 30.3 1.0
CA A:ASP112 4.4 31.7 1.0
CB A:ALA5 4.5 30.7 1.0
N A:TYR6 4.5 30.7 1.0
OD1 A:ASP112 4.6 44.8 1.0
CA A:TYR6 4.6 32.0 1.0
O A:HOH386 4.7 49.1 1.0
O A:HOH316 4.8 38.0 1.0
O A:HIS110 4.8 38.2 1.0

Sodium binding site 2 out of 2 in 4jmy

Go back to Sodium Binding Sites List in 4jmy
Sodium binding site 2 out of 2 in the Crystal Structure of Hcv NS3/NS4A Protease Complexed with Ddivpc Peptide


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 Ddivpc Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Na202

b:49.7
occ:1.00
O B:ALA5 2.6 34.4 1.0
O B:ALA111 2.6 31.7 1.0
O B:HOH361 2.8 49.5 1.0
O B:HOH308 2.9 36.2 1.0
O B:HOH379 3.0 54.1 1.0
C B:ALA111 3.6 34.3 1.0
C B:ALA5 3.7 35.0 1.0
O B:HOH355 3.8 47.8 1.0
CB B:ALA111 4.1 36.4 1.0
N B:ALA5 4.4 36.1 1.0
O B:HOH339 4.4 45.0 1.0
N B:ASP112 4.5 35.4 1.0
CA B:ALA5 4.5 36.4 1.0
CA B:ALA111 4.5 35.1 1.0
CA B:ASP112 4.5 35.2 1.0
O B:HOH319 4.6 41.0 1.0
OD2 B:ASP112 4.6 44.8 1.0
N B:TYR6 4.6 33.6 1.0
CA B:TYR6 4.7 36.0 1.0
CB B:ALA5 4.8 29.9 1.0
O B:HIS110 4.8 42.1 1.0

Reference:

S.Laplante, C.T.Lemke. Importance of the Peptide Scaffold of Drugs That Target the Hepatitis C Virus NS3 Protease and Its Crucial Bioactive Conformation and Dynamic Factors. To Be Published.
Page generated: Mon Oct 7 16:19:31 2024

Last articles

W in 8QLN
W in 8RJA
V in 8WTN
Te in 8QLN
Re in 9GHX
Rb in 8Z5C
Ni in 9C0T
Ni in 9C0S
Ni in 9GP1
Ni in 9FYO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy