Atomistry » Zinc » PDB 2exf-2fa7 » 2f9u
Atomistry »
  Zinc »
    PDB 2exf-2fa7 »
      2f9u »

Zinc in PDB 2f9u: Hcv NS3 Protease Domain with NS4A Peptide and A Ketoamide Inhibitor with A P2 Norborane

Protein crystallography data

The structure of Hcv NS3 Protease Domain with NS4A Peptide and A Ketoamide Inhibitor with A P2 Norborane, PDB code: 2f9u was solved by S.Venkatraman, F.G.Njoroge, W.Wu, V.Girijavallabhan, A.J.Prongay, N.Butkiewicz, J.Pichardo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 2.60
Space group H 3 2
Cell size a, b, c (Å), α, β, γ (°) 225.040, 225.040, 75.440, 90.00, 90.00, 120.00
R / Rfree (%) 19.4 / 28.6

Zinc Binding Sites:

The binding sites of Zinc atom in the Hcv NS3 Protease Domain with NS4A Peptide and A Ketoamide Inhibitor with A P2 Norborane (pdb code 2f9u). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Hcv NS3 Protease Domain with NS4A Peptide and A Ketoamide Inhibitor with A P2 Norborane, PDB code: 2f9u:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 2f9u

Go back to Zinc Binding Sites List in 2f9u
Zinc binding site 1 out of 2 in the Hcv NS3 Protease Domain with NS4A Peptide and A Ketoamide Inhibitor with A P2 Norborane


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Hcv NS3 Protease Domain with NS4A Peptide and A Ketoamide Inhibitor with A P2 Norborane within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn901

b:43.1
occ:1.00
O A:HOH1013 1.5 27.2 1.0
SG A:CYS97 2.1 31.8 1.0
SG A:CYS99 2.3 61.5 1.0
SG A:CYS145 2.3 46.3 1.0
CB A:CYS97 3.4 42.1 1.0
CB A:CYS99 3.6 58.6 1.0
CB A:CYS145 3.6 37.6 1.0
CA A:CYS97 3.8 47.3 1.0
N A:THR98 3.9 59.4 1.0
CB A:HIS149 4.0 35.2 1.0
N A:CYS99 4.1 59.0 1.0
C A:CYS97 4.2 54.4 1.0
OG A:SER101 4.4 69.0 1.0
CA A:CYS99 4.4 59.4 1.0
C A:THR98 4.4 61.8 1.0
CG A:HIS149 4.5 40.2 1.0
CB A:ALA147 4.5 34.1 1.0
O A:THR98 4.8 62.7 1.0
CA A:THR98 4.8 59.8 1.0
ND1 A:HIS149 5.0 42.6 1.0
CA A:CYS145 5.0 36.4 1.0

Zinc binding site 2 out of 2 in 2f9u

Go back to Zinc Binding Sites List in 2f9u
Zinc binding site 2 out of 2 in the Hcv NS3 Protease Domain with NS4A Peptide and A Ketoamide Inhibitor with A P2 Norborane


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Hcv NS3 Protease Domain with NS4A Peptide and A Ketoamide Inhibitor with A P2 Norborane within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn901

b:39.3
occ:1.00
O C:HOH902 1.6 12.3 1.0
SG C:CYS97 2.0 24.7 1.0
SG C:CYS99 2.1 45.7 1.0
SG C:CYS145 2.1 36.8 1.0
CB C:CYS145 3.3 28.0 1.0
CB C:CYS97 3.4 31.2 1.0
CB C:CYS99 3.5 41.5 1.0
N C:CYS99 3.7 46.4 1.0
N C:THR98 3.9 44.2 1.0
CA C:CYS97 3.9 35.7 1.0
CA C:CYS99 4.2 44.1 1.0
CB C:HIS149 4.3 27.0 1.0
CB C:ALA147 4.3 23.1 1.0
C C:CYS97 4.4 39.8 1.0
CG C:HIS149 4.7 26.1 1.0
C C:THR98 4.7 47.6 1.0
CA C:CYS145 4.7 26.0 1.0
ND1 C:HIS149 4.8 30.0 1.0
C C:CYS99 4.8 43.4 1.0
N C:ALA147 4.8 29.1 1.0
CA C:THR98 4.9 45.6 1.0
N C:GLY100 5.0 43.8 1.0
CB C:SER101 5.0 29.6 1.0

Reference:

S.Venkatraman, F.G.Njoroge, W.Wu, V.Girijavallabhan, A.J.Prongay, N.Butkiewicz, J.Pichardo. Novel Inhibitors of Hepatitis C NS3-NS4A Serine Protease Derived From 2-Aza-Bicyclo[2.2.1]Heptane-3-Carboxylic Acid. Bioorg.Med.Chem.Lett. V. 16 1628 2006.
ISSN: ISSN 0960-894X
PubMed: 16413182
DOI: 10.1016/J.BMCL.2005.12.046
Page generated: Wed Oct 16 23:41:42 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy