Atomistry » Potassium » PDB 3zq6-4bg9 » 4a1t
Atomistry »
  Potassium »
    PDB 3zq6-4bg9 »
      4a1t »

Potassium in PDB 4a1t: Co-Complex of the of NS3-4A Protease with the Inhibitory Peptide CP5- 46-A (in-House Data)

Enzymatic activity of Co-Complex of the of NS3-4A Protease with the Inhibitory Peptide CP5- 46-A (in-House Data)

All present enzymatic activity of Co-Complex of the of NS3-4A Protease with the Inhibitory Peptide CP5- 46-A (in-House Data):
3.4.21.98; 3.6.1.15; 3.6.4.13;

Protein crystallography data

The structure of Co-Complex of the of NS3-4A Protease with the Inhibitory Peptide CP5- 46-A (in-House Data), PDB code: 4a1t was solved by S.Schmelz, J.Kuegler, J.Collins, D.W.Heinz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.71 / 2.05
Space group P 61
Cell size a, b, c (Å), α, β, γ (°) 93.250, 93.250, 83.010, 90.00, 90.00, 120.00
R / Rfree (%) 19.5 / 24.5

Other elements in 4a1t:

The structure of Co-Complex of the of NS3-4A Protease with the Inhibitory Peptide CP5- 46-A (in-House Data) also contains other interesting chemical elements:

Chlorine (Cl) 9 atoms
Zinc (Zn) 2 atoms

Potassium Binding Sites:

The binding sites of Potassium atom in the Co-Complex of the of NS3-4A Protease with the Inhibitory Peptide CP5- 46-A (in-House Data) (pdb code 4a1t). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 4 binding sites of Potassium where determined in the Co-Complex of the of NS3-4A Protease with the Inhibitory Peptide CP5- 46-A (in-House Data), PDB code: 4a1t:
Jump to Potassium binding site number: 1; 2; 3; 4;

Potassium binding site 1 out of 4 in 4a1t

Go back to Potassium Binding Sites List in 4a1t
Potassium binding site 1 out of 4 in the Co-Complex of the of NS3-4A Protease with the Inhibitory Peptide CP5- 46-A (in-House Data)


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Co-Complex of the of NS3-4A Protease with the Inhibitory Peptide CP5- 46-A (in-House Data) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K1184

b:23.2
occ:1.00
O C:HOH2006 3.0 35.3 1.0
O C:HOH2007 3.1 29.3 1.0
NE2 A:GLN9 3.4 12.6 1.0
N A:LEU13 3.5 16.6 1.0
CA A:GLY12 3.6 15.4 1.0
O A:HOH2022 3.8 20.4 1.0
C A:GLY12 4.0 16.0 1.0
CB A:LEU13 4.5 20.6 1.0
O A:ARG11 4.5 13.9 1.0
CA A:LEU13 4.5 19.1 1.0
O A:HOH2021 4.6 11.9 1.0
CD A:GLN9 4.6 12.7 1.0
N A:GLY12 4.7 13.9 1.0
O C:HOH2005 5.0 27.1 1.0

Potassium binding site 2 out of 4 in 4a1t

Go back to Potassium Binding Sites List in 4a1t
Potassium binding site 2 out of 4 in the Co-Complex of the of NS3-4A Protease with the Inhibitory Peptide CP5- 46-A (in-House Data)


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Co-Complex of the of NS3-4A Protease with the Inhibitory Peptide CP5- 46-A (in-House Data) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K1180

b:18.5
occ:1.00
O B:HOH2033 3.4 18.7 1.0
CG B:PRO70 3.5 14.5 1.0
CD B:PRO70 3.7 14.2 1.0
O A:HOH2092 4.6 40.2 1.0
O A:HOH2090 4.8 29.9 1.0
CB B:PRO70 5.0 14.7 1.0
N B:PRO70 5.0 14.9 1.0

Potassium binding site 3 out of 4 in 4a1t

Go back to Potassium Binding Sites List in 4a1t
Potassium binding site 3 out of 4 in the Co-Complex of the of NS3-4A Protease with the Inhibitory Peptide CP5- 46-A (in-House Data)


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Co-Complex of the of NS3-4A Protease with the Inhibitory Peptide CP5- 46-A (in-House Data) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K1181

b:28.1
occ:1.00
O B:HOH2056 2.7 18.5 1.0
N B:SER61 3.2 13.6 1.0
NZ B:LYS62 3.6 16.7 1.0
CA B:GLY60 3.9 13.5 1.0
CB B:SER61 4.0 13.6 1.0
C B:GLY60 4.0 13.8 1.0
CA B:SER61 4.0 13.2 1.0
O B:HOH2023 4.1 37.3 1.0
CG B:LYS62 4.1 15.1 1.0
OG B:SER61 4.2 15.3 1.0
N B:LYS62 4.2 13.1 1.0
O B:HOH2057 4.3 27.8 1.0
C B:SER61 4.5 12.8 1.0
O B:ALA59 4.5 12.6 1.0
CE B:LYS62 4.6 16.6 1.0
CD B:LYS62 4.9 15.5 1.0
N B:GLY60 4.9 12.8 1.0

Potassium binding site 4 out of 4 in 4a1t

Go back to Potassium Binding Sites List in 4a1t
Potassium binding site 4 out of 4 in the Co-Complex of the of NS3-4A Protease with the Inhibitory Peptide CP5- 46-A (in-House Data)


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Co-Complex of the of NS3-4A Protease with the Inhibitory Peptide CP5- 46-A (in-House Data) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K1188

b:26.6
occ:1.00
O B:HOH2008 3.4 13.6 1.0
CA B:GLY-14 3.5 19.1 1.0
O B:HOH2010 3.7 36.7 1.0
C B:GLY-14 4.2 18.0 1.0
N B:GLY-14 4.2 19.7 1.0
O B:SER20 4.2 16.1 0.4
O B:SER20 4.2 16.2 0.6
N B:SER-13 4.3 15.4 1.0
O B:LEU21 4.6 17.2 1.0
O B:GLY-14 5.0 18.2 1.0

Reference:

J.Kugler, S.Schmelz, J.Gentzsch, S.Haid, E.Pollmann, J.Van Den Heuvel, R.Franke, T.Pietschmann, D.W.Heinz, J.Collins. High Affinity Peptide Inhibitors of the Hepatitis C Virus NS3-4A Protease Refractory to Common Resistant Mutants. J.Biol.Chem. V. 287 39224 2012.
ISSN: ISSN 0021-9258
PubMed: 22965230
DOI: 10.1074/JBC.M112.393843
Page generated: Sun Dec 13 23:26:07 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy