Zinc in PDB 7mme: Crystal Structure of Hcv NS3/4A D168A Protease in Complex with JZ01-15

The structure of Crystal Structure of Hcv NS3/4A D168A Protease in Complex with JZ01-15, PDB code: 7mme was solved by J.Zephyr, C.A.Schiffer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.38 / 1.56
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.616, 58.511, 59.938, 90, 90, 90
R / Rfree (%)	15.5 / 18.1

The binding sites of Zinc atom in the Crystal Structure of Hcv NS3/4A D168A Protease in Complex with JZ01-15 (pdb code 7mme). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Crystal Structure of Hcv NS3/4A D168A Protease in Complex with JZ01-15, PDB code: 7mme:

Zinc binding site 1 out of 1 in the Crystal Structure of Hcv NS3/4A D168A Protease in Complex with JZ01-15


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Hcv NS3/4A D168A Protease in Complex with JZ01-15 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1202 b:12.9 occ:1.00 ND1 A:HIS1149 2.1 15.2 1.0 SG A:CYS1099 2.3 11.9 1.0 SG A:CYS1145 2.3 10.2 1.0 SG A:CYS1097 2.3 9.8 1.0 HB2 A:HIS1149 2.8 10.9 1.0 HB2 A:CYS1099 2.8 11.9 1.0 CE1 A:HIS1149 3.0 13.4 1.0 CG A:HIS1149 3.1 12.0 1.0 CB A:CYS1099 3.1 9.9 1.0 HE1 A:HIS1149 3.2 16.2 1.0 H A:CYS1099 3.2 13.9 1.0 HB3 A:CYS1145 3.2 11.8 1.0 HA A:CYS1097 3.3 9.6 1.0 CB A:CYS1145 3.3 9.8 1.0 CB A:CYS1097 3.4 9.0 1.0 CB A:HIS1149 3.4 9.0 1.0 HB2 A:CYS1097 3.4 10.8 1.0 HB2 A:CYS1145 3.4 11.8 1.0 H A:THR1098 3.7 12.9 1.0 HB3 A:ALA1147 3.7 14.7 1.0 HB3 A:CYS1099 3.8 11.9 1.0 CA A:CYS1097 3.8 8.0 1.0 N A:CYS1099 3.9 11.6 1.0 H A:HIS1149 3.9 11.3 1.0 HB3 A:HIS1149 4.0 10.9 1.0 CA A:CYS1099 4.1 10.2 1.0 NE2 A:HIS1149 4.2 15.9 1.0 CD2 A:HIS1149 4.2 16.3 1.0 N A:THR1098 4.2 10.7 1.0 HB3 A:CYS1097 4.3 10.8 1.0 H A:ALA1147 4.4 11.3 1.0 C A:CYS1097 4.5 9.9 1.0 CA A:HIS1149 4.6 8.0 1.0 HA A:CYS1099 4.6 12.2 1.0 N A:HIS1149 4.6 9.4 1.0 CB A:ALA1147 4.7 12.2 1.0 CA A:CYS1145 4.7 8.4 1.0 H A:CYS1145 4.7 11.2 1.0 HD2 A:PRO1146 4.8 10.7 1.0 O A:HOH1437 4.8 25.9 1.0 O A:HOH1330 4.9 22.8 1.0 HB2 A:ALA1147 4.9 14.7 1.0 O A:HOH1427 4.9 33.6 1.0 HE2 A:HIS1149 4.9 19.1 1.0 HB3 A:SER1101 5.0 19.6 1.0 C A:THR1098 5.0 13.8 1.0

J.Zephyr, D.Nageswara Rao. Deciphering the Molecular Mechanism and Role of Fluorination in Hcv Protease Inhibitor Potency and Drug Resistance To Be Published.