Zinc in PDB 1rgq: M9A Hcv Protease Complex with Pentapeptide Keto-Amide Inhibitor

All present enzymatic activity of M9A Hcv Protease Complex with Pentapeptide Keto-Amide Inhibitor:
3.4.21.98;

The structure of M9A Hcv Protease Complex with Pentapeptide Keto-Amide Inhibitor, PDB code: 1rgq was solved by Y.Liu, V.S.Stoll, P.L.Richardson, A.Saldivar, J.L.Klaus, A.Molla, W.Kohlbrenner, W.M.Kati, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.12 / 2.90
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	226.385, 226.385, 76.864, 90.00, 90.00, 120.00
R / Rfree (%)	n/a / n/a

The binding sites of Zinc atom in the M9A Hcv Protease Complex with Pentapeptide Keto-Amide Inhibitor (pdb code 1rgq). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the M9A Hcv Protease Complex with Pentapeptide Keto-Amide Inhibitor, PDB code: 1rgq:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the M9A Hcv Protease Complex with Pentapeptide Keto-Amide Inhibitor


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of M9A Hcv Protease Complex with Pentapeptide Keto-Amide Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn193 b:37.1 occ:1.00 SG A:CYS100 2.6 22.7 1.0 SG A:CYS148 2.6 23.4 1.0 SG A:CYS102 2.6 25.9 1.0 CB A:CYS102 3.3 25.9 1.0 N A:CYS102 3.4 32.4 1.0 CB A:CYS100 3.7 22.7 1.0 N A:THR101 3.7 42.4 1.0 CB A:CYS148 3.8 23.4 1.0 CA A:CYS100 3.9 29.8 1.0 CA A:CYS102 3.9 32.4 1.0 CG B:PRO118 4.1 46.7 1.0 CB A:HIS152 4.1 33.0 1.0 CB A:ALA150 4.1 16.0 1.0 C A:CYS100 4.3 29.8 1.0 ND1 A:HIS152 4.4 33.0 1.0 C A:THR101 4.4 42.4 1.0 CG A:HIS152 4.5 33.0 1.0 CA A:THR101 4.7 42.4 1.0 CB B:PRO118 4.8 46.7 1.0 C A:CYS102 4.8 32.4 1.0 CE2 B:TYR108 4.9 61.4 1.0 N A:GLY103 4.9 57.7 1.0

Zinc binding site 2 out of 2 in the M9A Hcv Protease Complex with Pentapeptide Keto-Amide Inhibitor


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of M9A Hcv Protease Complex with Pentapeptide Keto-Amide Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn193 b:37.1 occ:1.00 SG B:CYS100 2.4 29.4 1.0 SG B:CYS148 2.5 30.4 1.0 SG B:CYS102 2.6 38.4 1.0 CB B:CYS100 3.4 29.4 1.0 CB B:CYS102 3.5 38.4 1.0 CB B:CYS148 3.6 30.4 1.0 N B:CYS102 3.7 55.4 1.0 CA B:CYS100 3.7 47.0 1.0 N B:THR101 3.8 88.4 1.0 CB B:HIS152 4.0 39.3 1.0 ND1 B:HIS152 4.1 39.3 1.0 CA B:CYS102 4.2 55.4 1.0 C B:CYS100 4.3 47.0 1.0 CB B:ALA150 4.4 29.6 1.0 CG B:HIS152 4.5 39.3 1.0 C B:THR101 4.8 88.4 1.0 CA B:THR101 4.9 88.4 1.0

Y.Liu, V.S.Stoll, P.L.Richardson, A.Saldivar, J.L.Klaus, A.Molla, W.Kohlbrenner, W.M.Kati. Hepatitis C NS3 Protease Inhibition By Peptidyl-Alpha-Ketoamide Inhibitors: Kinetic Mechanism and Structure. Arch.Biochem.Biophys. V. 421 207 2004.
ISSN: ISSN 0003-9861
PubMed: 14984200
DOI: 10.1016/J.ABB.2003.11.013