Atomistry » Chlorine » PDB 3oox-3oxh » 3ovz
Atomistry »
  Chlorine »
    PDB 3oox-3oxh »
      3ovz »

Chlorine in PDB 3ovz: Cathepsin K in Complex with A Covalent Inhibitor with A Ketoamide Warhead

Enzymatic activity of Cathepsin K in Complex with A Covalent Inhibitor with A Ketoamide Warhead

All present enzymatic activity of Cathepsin K in Complex with A Covalent Inhibitor with A Ketoamide Warhead:
3.4.22.38;

Protein crystallography data

The structure of Cathepsin K in Complex with A Covalent Inhibitor with A Ketoamide Warhead, PDB code: 3ovz was solved by X.Fradera, M.Van Zeeland, J.C.M.Uitdehaag, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 51.16 / 2.02
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 55.741, 55.741, 128.916, 90.00, 90.00, 90.00
R / Rfree (%) 24.4 / 30.8

Other elements in 3ovz:

The structure of Cathepsin K in Complex with A Covalent Inhibitor with A Ketoamide Warhead also contains other interesting chemical elements:

Fluorine (F) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Cathepsin K in Complex with A Covalent Inhibitor with A Ketoamide Warhead (pdb code 3ovz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Cathepsin K in Complex with A Covalent Inhibitor with A Ketoamide Warhead, PDB code: 3ovz:

Chlorine binding site 1 out of 1 in 3ovz

Go back to Chlorine Binding Sites List in 3ovz
Chlorine binding site 1 out of 1 in the Cathepsin K in Complex with A Covalent Inhibitor with A Ketoamide Warhead


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Cathepsin K in Complex with A Covalent Inhibitor with A Ketoamide Warhead within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1

b:34.2
occ:1.00
CL19 A:O961 0.0 34.2 1.0
C18 A:O961 1.7 33.2 1.0
C11 A:O961 2.7 31.9 1.0
C17 A:O961 2.7 32.7 1.0
F22 A:O961 2.9 39.6 1.0
C10 A:O961 3.0 32.2 1.0
C20 A:O961 3.1 34.6 1.0
F21 A:O961 3.3 38.7 1.0
O A:GLY66 3.4 30.9 1.0
CB A:ALA163 3.5 27.3 1.0
N A:ALA163 3.5 27.6 1.0
O38 A:O961 3.5 31.8 1.0
N8 A:O961 3.6 30.4 1.0
C A:HIS162 3.8 27.7 1.0
SG A:CYS25 3.9 28.1 1.0
CA A:HIS162 3.9 28.0 1.0
C12 A:O961 3.9 34.0 1.0
C16 A:O961 4.0 33.0 1.0
CA A:ALA163 4.0 27.6 1.0
CB A:TRP26 4.1 31.2 1.0
N A:HIS162 4.1 28.5 1.0
O A:ASN161 4.2 29.8 1.0
C A:ASN161 4.4 29.7 1.0
F23 A:O961 4.4 38.8 1.0
C14 A:O961 4.4 33.7 1.0
O A:HIS162 4.5 27.6 1.0
N A:TRP26 4.5 30.2 1.0
CA A:TRP26 4.6 30.1 1.0
SD A:MET68 4.6 34.2 1.0
C A:GLY66 4.7 31.1 1.0
C6 A:O961 4.7 29.6 1.0
C5 A:O961 4.9 30.3 1.0
O24 A:O961 5.0 31.9 1.0

Reference:

J.Cai, J.Robinson, S.Belshaw, K.Everett, X.Fradera, M.Van Zeeland, L.Van Berkom, P.Van Rijnsbergen, L.Popplestone, M.Baugh, M.Dempster, J.Bruin, W.Hamilton, E.Kinghorn, P.Westwood, J.Kerr, Z.Rankovic, W.Arbuckle, D.J.Bennett, P.S.Jones, C.Long, I.Martin, J.C.Uitdehaag, T.Meulemans. Trifluoromethylphenyl As P2 For Ketoamide-Based Cathepsin S Inhibitors. Bioorg.Med.Chem.Lett. V. 20 6890 2010.
ISSN: ISSN 0960-894X
PubMed: 21030256
DOI: 10.1016/J.BMCL.2010.10.012
Page generated: Fri Jul 11 08:53:42 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy