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Zinc in PDB 6vdm: Hcv NS3/4A Protease A156T, D168E Double Mutant in Complex with Glecaprevir

Enzymatic activity of Hcv NS3/4A Protease A156T, D168E Double Mutant in Complex with Glecaprevir

All present enzymatic activity of Hcv NS3/4A Protease A156T, D168E Double Mutant in Complex with Glecaprevir:
2.7.7.48; 3.4.21.98; 3.6.1.15; 3.6.4.13;

Protein crystallography data

The structure of Hcv NS3/4A Protease A156T, D168E Double Mutant in Complex with Glecaprevir, PDB code: 6vdm 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) 23.71 / 1.90
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 54.337, 58.643, 60.056, 90, 90, 90
R / Rfree (%) 16.2 / 19.6

Other elements in 6vdm:

The structure of Hcv NS3/4A Protease A156T, D168E Double Mutant in Complex with Glecaprevir also contains other interesting chemical elements:

Fluorine (F) 4 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Hcv NS3/4A Protease A156T, D168E Double Mutant in Complex with Glecaprevir (pdb code 6vdm). 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 A156T, D168E Double Mutant in Complex with Glecaprevir, PDB code: 6vdm:

Zinc binding site 1 out of 1 in 6vdm

Go back to Zinc Binding Sites List in 6vdm
Zinc binding site 1 out of 1 in the Hcv NS3/4A Protease A156T, D168E Double Mutant 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 A156T, D168E Double Mutant in Complex with Glecaprevir within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1201

b:15.8
occ:1.00
 ND1 A:HIS1149 2.1 16.6 1.0
SG A:CYS1145 2.3 11.4 1.0
SG A:CYS1097 2.4 13.4 1.0
SG A:CYS1099 2.4 18.1 1.0
HB2 A:HIS1149 2.8 16.2 1.0
HB2 A:CYS1099 2.9 18.7 1.0
CE1 A:HIS1149 3.1 18.4 1.0
CG A:HIS1149 3.1 15.8 1.0
H A:CYS1099 3.1 19.4 1.0
HB3 A:CYS1145 3.2 13.7 1.0
CB A:CYS1099 3.2 15.6 1.0
CB A:CYS1145 3.2 11.4 1.0
HE1 A:HIS1149 3.2 22.0 1.0
HB2 A:CYS1097 3.3 17.4 1.0
CB A:CYS1097 3.4 14.5 1.0
HB2 A:CYS1145 3.4 13.7 1.0
CB A:HIS1149 3.4 13.5 1.0
HA A:CYS1097 3.4 20.7 1.0
HB3 A:ALA1147 3.5 15.4 1.0
H A:THR1098 3.8 20.5 1.0
N A:CYS1099 3.8 16.1 1.0
CA A:CYS1097 3.9 17.2 1.0
HB3 A:HIS1149 3.9 16.2 1.0
HB3 A:CYS1099 3.9 18.7 1.0
H A:HIS1149 4.0 14.2 1.0
CA A:CYS1099 4.1 16.2 1.0
NE2 A:HIS1149 4.2 17.4 1.0
CD2 A:HIS1149 4.2 17.9 1.0
HB3 A:CYS1097 4.2 17.4 1.0
N A:THR1098 4.2 17.1 1.0
H A:ALA1147 4.3 16.2 1.0
C A:CYS1097 4.5 18.0 1.0
CB A:ALA1147 4.5 12.8 1.0
CA A:HIS1149 4.6 12.6 1.0
HA A:CYS1099 4.6 19.4 1.0
N A:HIS1149 4.6 11.9 1.0
CA A:CYS1145 4.7 11.3 1.0
H A:CYS1145 4.7 12.3 1.0
O A:HOH1418 4.7 29.3 1.0
HD2 A:PRO1146 4.7 16.2 1.0
HB2 A:ALA1147 4.8 15.4 1.0
HG22 A:VAL1151 4.8 12.4 1.0
O A:HOH1394 4.9 31.4 1.0
HB3 A:SER1101 4.9 26.6 1.0
C A:THR1098 4.9 17.3 1.0
HE2 A:HIS1149 4.9 20.9 1.0
HB1 A:ALA1147 5.0 15.4 1.0

Reference:

J.Timm, J.Zephyr, S.Hou, N.Kurt Yilmaz, C.A.Schiffer. Ras at Position 156 of Hcv NS3/4A Protease Abolish Inhibition By Current Hcv Drugs To Be Published.
Page generated: Tue Oct 29 09:01:14 2024

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