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Potassium in PDB 4a1v: Co-Complex Structure of NS3-4A Protease with the Optimized Inhibitory Peptide CP5-46A-4D5E

Enzymatic activity of Co-Complex Structure of NS3-4A Protease with the Optimized Inhibitory Peptide CP5-46A-4D5E

All present enzymatic activity of Co-Complex Structure of NS3-4A Protease with the Optimized Inhibitory Peptide CP5-46A-4D5E:
3.4.21.98; 3.6.1.15; 3.6.4.13;

Protein crystallography data

The structure of Co-Complex Structure of NS3-4A Protease with the Optimized Inhibitory Peptide CP5-46A-4D5E, PDB code: 4a1v 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) 80.47 / 2.20
Space group P 61
Cell size a, b, c (Å), α, β, γ (°) 92.920, 92.920, 82.770, 90.00, 90.00, 120.00
R / Rfree (%) 18.498 / 23.899

Other elements in 4a1v:

The structure of Co-Complex Structure of NS3-4A Protease with the Optimized Inhibitory Peptide CP5-46A-4D5E also contains other interesting chemical elements:

Chlorine (Cl) 3 atoms

Potassium Binding Sites:

The binding sites of Potassium atom in the Co-Complex Structure of NS3-4A Protease with the Optimized Inhibitory Peptide CP5-46A-4D5E (pdb code 4a1v). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total only one binding site of Potassium was determined in the Co-Complex Structure of NS3-4A Protease with the Optimized Inhibitory Peptide CP5-46A-4D5E, PDB code: 4a1v:

Potassium binding site 1 out of 1 in 4a1v

Go back to Potassium Binding Sites List in 4a1v
Potassium binding site 1 out of 1 in the Co-Complex Structure of NS3-4A Protease with the Optimized Inhibitory Peptide CP5-46A-4D5E


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Co-Complex Structure of NS3-4A Protease with the Optimized Inhibitory Peptide CP5-46A-4D5E within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K1181

b:41.8
occ:1.00
O A:HOH2024 3.1 32.0 1.0
N A:SER61 3.3 20.4 1.0
OG A:SER61 3.3 24.0 1.0
NZ A:LYS62 3.8 25.6 1.0
CA A:GLY60 3.9 19.7 1.0
C A:GLY60 4.1 20.9 1.0
CG A:LYS62 4.2 19.5 1.0
CA A:SER61 4.3 20.8 1.0
CB A:SER61 4.4 22.3 1.0
N A:LYS62 4.4 18.8 1.0
O A:ALA59 4.5 20.3 1.0
C A:SER61 4.6 20.0 1.0
N A:GLY60 4.8 19.2 1.0
CE A:LYS62 4.9 22.5 1.0
CD A:LYS62 5.0 20.4 1.0
O A:HOH2022 5.0 30.2 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: Mon Aug 12 10:00:49 2024

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