Atomistry » Zinc » PDB 3sja-3su5 » 3su1
Atomistry »
  Zinc »
    PDB 3sja-3su5 »
      3su1 »

Zinc in PDB 3su1: Crystal Structure of NS3/4A Protease Variant D168A in Complex with Danoprevir

Protein crystallography data

The structure of Crystal Structure of NS3/4A Protease Variant D168A in Complex with Danoprevir, PDB code: 3su1 was solved by C.A.Schiffer, K.P.Romano, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.90 / 1.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 55.018, 58.518, 60.018, 90.00, 90.00, 90.00
R / Rfree (%) 15.7 / 17.8

Other elements in 3su1:

The structure of Crystal Structure of NS3/4A Protease Variant D168A in Complex with Danoprevir also contains other interesting chemical elements:

Fluorine (F) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of NS3/4A Protease Variant D168A in Complex with Danoprevir (pdb code 3su1). 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 NS3/4A Protease Variant D168A in Complex with Danoprevir, PDB code: 3su1:

Zinc binding site 1 out of 1 in 3su1

Go back to Zinc Binding Sites List in 3su1
Zinc binding site 1 out of 1 in the Crystal Structure of NS3/4A Protease Variant D168A in Complex with Danoprevir


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 NS3/4A Protease Variant D168A in Complex with Danoprevir within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1183

b:12.1
occ:1.00
ND1 A:HIS1149 2.1 12.4 1.0
SG A:CYS1099 2.3 12.4 1.0
SG A:CYS1097 2.3 10.6 1.0
SG A:CYS1145 2.3 10.7 1.0
CG A:HIS1149 3.1 13.2 1.0
CE1 A:HIS1149 3.1 14.6 1.0
CB A:CYS1099 3.2 11.6 1.0
CB A:CYS1145 3.3 10.9 1.0
CB A:HIS1149 3.4 10.4 1.0
CB A:CYS1097 3.4 9.9 1.0
O A:HOH173 3.7 13.4 0.5
CA A:CYS1097 3.8 10.2 1.0
N A:CYS1099 3.9 11.0 1.0
NE2 A:HIS1149 4.2 17.0 1.0
CA A:CYS1099 4.2 11.9 1.0
CD2 A:HIS1149 4.2 14.7 1.0
N A:THR1098 4.3 11.0 1.0
O A:HOH28 4.4 14.7 1.0
CB A:ALA1147 4.5 13.4 1.0
C A:CYS1097 4.5 11.0 1.0
CA A:HIS1149 4.5 10.3 1.0
N A:HIS1149 4.6 10.9 1.0
CA A:CYS1145 4.7 10.4 1.0
O A:HOH173 4.8 16.6 0.5

Reference:

K.P.Romano, A.Ali, C.Aydin, D.Soumana, A.Ozen, L.M.Deveau, C.Silver, H.Cao, A.Newton, C.J.Petropoulos, W.Huang, C.A.Schiffer. The Molecular Basis of Drug Resistance Against Hepatitis C Virus NS3/4A Protease Inhibitors. Plos Pathog. V. 8 02832 2012.
ISSN: ISSN 1553-7366
PubMed: 22910833
DOI: 10.1371/JOURNAL.PPAT.1002832
Page generated: Wed Dec 16 04:50:50 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy