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Zinc in PDB 6dis: Crystal Structure of Hcv NS3/4A Protease in Complex with P4-1 (Aj-71)

Protein crystallography data

The structure of Crystal Structure of Hcv NS3/4A Protease in Complex with P4-1 (Aj-71), PDB code: 6dis was solved by A.N.Matthew, C.A.Schiffer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 23.17 / 1.92
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 55.607, 58.628, 59.966, 90.00, 90.00, 90.00
R / Rfree (%) 18.7 / 22.7

Other elements in 6dis:

The structure of Crystal Structure of Hcv NS3/4A Protease in Complex with P4-1 (Aj-71) also contains other interesting chemical elements:

Fluorine (F) 3 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Hcv NS3/4A Protease in Complex with P4-1 (Aj-71) (pdb code 6dis). 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 Protease in Complex with P4-1 (Aj-71), PDB code: 6dis:

Zinc binding site 1 out of 1 in 6dis

Go back to Zinc Binding Sites List in 6dis
Zinc binding site 1 out of 1 in the Crystal Structure of Hcv NS3/4A Protease in Complex with P4-1 (Aj-71)


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 Protease in Complex with P4-1 (Aj-71) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1206

b:13.3
occ:1.00
ND1 A:HIS1149 2.2 15.7 1.0
SG A:CYS1097 2.3 11.8 1.0
SG A:CYS1145 2.3 10.3 1.0
SG A:CYS1099 2.4 12.6 1.0
HB2 A:HIS1149 2.6 16.8 1.0
HB2 A:CYS1099 2.9 17.5 1.0
CG A:HIS1149 3.1 15.0 1.0
CE1 A:HIS1149 3.2 21.5 1.0
CB A:CYS1099 3.2 14.6 1.0
HB3 A:CYS1145 3.2 17.5 1.0
H A:CYS1099 3.2 17.6 1.0
CB A:CYS1145 3.3 14.6 1.0
CB A:HIS1149 3.3 14.0 1.0
HB2 A:CYS1097 3.4 14.7 1.0
CB A:CYS1097 3.4 12.2 1.0
HA A:CYS1097 3.4 16.8 1.0
HE1 A:HIS1149 3.4 25.8 1.0
HB2 A:CYS1145 3.4 17.5 1.0
O A:HOH1420 3.5 23.5 1.0
HB3 A:ALA1147 3.6 18.0 1.0
HB3 A:HIS1149 3.8 16.8 1.0
H A:HIS1149 3.9 13.7 1.0
CA A:CYS1097 3.9 14.0 1.0
H A:THR1098 3.9 15.4 1.0
HB3 A:CYS1099 3.9 17.5 1.0
N A:CYS1099 3.9 14.7 1.0
CA A:CYS1099 4.2 17.0 1.0
HB3 A:CYS1097 4.2 14.7 1.0
CD2 A:HIS1149 4.2 17.9 1.0
NE2 A:HIS1149 4.3 18.6 1.0
H A:ALA1147 4.3 13.3 1.0
N A:THR1098 4.3 12.8 1.0
O A:HOH1382 4.4 16.7 1.0
CA A:HIS1149 4.5 11.7 1.0
C A:CYS1097 4.5 15.7 1.0
N A:HIS1149 4.5 11.4 1.0
CB A:ALA1147 4.6 15.0 1.0
CA A:CYS1145 4.7 10.7 1.0
HD2 A:PRO1146 4.7 12.9 1.0
H A:CYS1145 4.7 12.1 1.0
HA A:CYS1099 4.7 20.4 1.0
HB2 A:ALA1147 4.8 18.0 1.0
O A:HOH1458 4.8 22.9 1.0
HG22 A:VAL1151 4.9 10.7 1.0
HG23 A:VAL1151 5.0 10.7 1.0

Reference:

A.N.Matthew, C.A.Schiffer. Design of Hepatitis C NS3/4A Protease Inhibitors Leveraging Untapped Regions of the Substrate Envelope To Be Published.
Page generated: Wed Dec 16 11:40:10 2020

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