Atomistry » Zinc » PDB 6p3z-6phr » 6p6v
Atomistry »
  Zinc »
    PDB 6p3z-6phr »
      6p6v »

Zinc in PDB 6p6v: Hcv NS3/4A Protease Domain of Genotype 5A in Complex with Glecaprevir

Enzymatic activity of Hcv NS3/4A Protease Domain of Genotype 5A in Complex with Glecaprevir

All present enzymatic activity of Hcv NS3/4A Protease Domain of Genotype 5A in Complex with Glecaprevir:
3.4.21.98; 3.6.1.15; 3.6.4.13;

Protein crystallography data

The structure of Hcv NS3/4A Protease Domain of Genotype 5A in Complex with Glecaprevir, PDB code: 6p6v was solved by J.Timm, C.A.Schiffer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 22.81 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 39.551, 60.147, 83.788, 90.00, 90.00, 90.00
R / Rfree (%) 16.5 / 21.3

Other elements in 6p6v:

The structure of Hcv NS3/4A Protease Domain of Genotype 5A in Complex with Glecaprevir also contains other interesting chemical elements:

Fluorine (F) 4 atoms
Chlorine (Cl) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Hcv NS3/4A Protease Domain of Genotype 5A in Complex with Glecaprevir (pdb code 6p6v). 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 Hcv NS3/4A Protease Domain of Genotype 5A in Complex with Glecaprevir, PDB code: 6p6v:

Zinc binding site 1 out of 1 in 6p6v

Go back to Zinc Binding Sites List in 6p6v
Zinc binding site 1 out of 1 in the Hcv NS3/4A Protease Domain of Genotype 5A in Complex with Glecaprevir


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Hcv NS3/4A Protease Domain of Genotype 5A in Complex with Glecaprevir within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1201

b:23.3
occ:1.00
 ND1 A:HIS1149 2.2 28.9 1.0
SG A:CYS1097 2.3 20.7 1.0
SG A:CYS1145 2.3 20.5 1.0
SG A:CYS1099 2.4 28.3 1.0
HB2 A:HIS1149 2.8 24.0 1.0
HB3 A:CYS1145 3.1 20.6 1.0
CB A:CYS1145 3.1 17.2 1.0
CG A:HIS1149 3.1 25.3 1.0
CE1 A:HIS1149 3.1 37.9 1.0
H A:CYS1099 3.1 34.4 1.0
HB2 A:CYS1145 3.2 20.6 1.0
HB2 A:CYS1097 3.3 25.1 1.0
HB3 A:CYS1099 3.3 41.6 1.0
HE1 A:HIS1149 3.3 45.5 1.0
CB A:CYS1097 3.4 20.9 1.0
CB A:HIS1149 3.4 20.0 1.0
CB A:CYS1099 3.5 34.7 1.0
HA A:CYS1097 3.5 28.0 1.0
HB2 A:SER1147 3.5 30.4 1.0
N A:CYS1099 3.9 28.7 1.0
H A:THR1098 3.9 32.9 1.0
HB3 A:HIS1149 3.9 24.0 1.0
CA A:CYS1097 3.9 23.3 1.0
H A:HIS1149 4.1 22.1 1.0
H A:SER1147 4.2 27.2 1.0
HB3 A:CYS1097 4.2 25.1 1.0
O A:HOH1330 4.2 29.9 1.0
CA A:CYS1099 4.2 30.8 1.0
NE2 A:HIS1149 4.2 29.1 1.0
HB2 A:CYS1099 4.2 41.6 1.0
CD2 A:HIS1149 4.3 26.5 1.0
N A:THR1098 4.3 27.4 1.0
H A:SER1101 4.4 34.9 1.0
H A:GLY1100 4.4 29.5 1.0
CB A:SER1147 4.5 25.3 1.0
HD2 A:PRO1146 4.5 27.2 1.0
HB3 A:SER1101 4.5 32.9 1.0
C A:CYS1097 4.5 25.4 1.0
CA A:CYS1145 4.6 15.9 1.0
HG A:SER1147 4.6 26.9 1.0
CA A:HIS1149 4.6 20.0 1.0
N A:HIS1149 4.7 18.4 1.0
HG22 A:VAL1151 4.8 19.7 1.0
H A:CYS1145 4.8 18.2 1.0
OG A:SER1147 4.8 22.4 1.0
C A:CYS1099 4.8 26.2 1.0
N A:GLY1100 4.8 24.6 1.0
O A:HOH1440 4.9 32.2 1.0
N A:SER1147 5.0 22.7 1.0
HB3 A:SER1147 5.0 30.4 1.0

Reference:

J.Timm, K.Kosovrasti, M.Henes, F.Leidner, S.Hou, N.Kurt-Yilmaz, C.A.Schiffer. Molecular Mechanism of Pan-Genotypic Hcv NS3/4A Protease Inhibition By Glecaprevir and Characterization of Genotype-Specific Structural Differences To Be Published.
Page generated: Tue Oct 29 04:53:02 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy