Gold in PDB 2ato: Crystal Structure of Human Cathepsin K in Complex with Myocrisin

All present enzymatic activity of Crystal Structure of Human Cathepsin K in Complex with Myocrisin:
3.4.22.38;

The structure of Crystal Structure of Human Cathepsin K in Complex with Myocrisin, PDB code: 2ato was solved by E.Weidauer, Y.Yasuda, B.K.Biswal, L.D.Kerr, M.M.Cherney, R.E.Gordon, M.N.G.James, D.Bromme, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.49 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	32.063, 67.398, 93.785, 90.00, 90.00, 90.00
R / Rfree (%)	19.7 / 19.8

The binding sites of Gold atom in the Crystal Structure of Human Cathepsin K in Complex with Myocrisin (pdb code 2ato). This binding sites where shown within 5.0 Angstroms radius around Gold atom.
In total only one binding site of Gold was determined in the Crystal Structure of Human Cathepsin K in Complex with Myocrisin, PDB code: 2ato:

Gold binding site 1 out of 1 in the Crystal Structure of Human Cathepsin K in Complex with Myocrisin


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 1 of Crystal Structure of Human Cathepsin K in Complex with Myocrisin within 5.0Å range: probe atom residue distance (Å) B Occ A:Au217 b:25.6 occ:1.00 AU A:MYQ217 0.0 25.6 1.0 S A:MYQ217 2.5 35.8 1.0 SG A:CYS25 2.6 11.5 1.0 O1 A:MYQ217 3.3 38.6 1.0 O A:HOH375 3.3 23.0 1.0 CB A:CYS25 3.4 9.2 1.0 O A:HOH374 3.5 23.4 1.0 C2 A:MYQ217 3.6 39.8 1.0 ND1 A:HIS162 3.7 8.8 1.0 O A:ASN161 3.9 11.4 1.0 C1 A:MYQ217 3.9 39.8 1.0 NE2 A:GLN19 3.9 8.6 1.0 N A:CYS25 4.0 10.5 1.0 CA A:GLY23 4.0 14.7 1.0 C A:GLY23 4.0 14.3 1.0 O A:GLY23 4.2 15.1 1.0 CA A:CYS25 4.3 9.6 1.0 CA A:HIS162 4.5 7.5 1.0 CE1 A:HIS162 4.5 8.7 1.0 N A:SER24 4.6 12.1 1.0 CG A:HIS162 4.7 6.8 1.0 O1 A:SO4216 4.8 80.8 1.0 CB A:HIS162 4.8 7.0 1.0 CD A:GLN19 4.9 7.1 1.0 C A:ASN161 4.9 10.4 1.0 C3 A:MYQ217 4.9 40.0 1.0 OE1 A:GLN19 4.9 7.2 1.0 N A:ALA163 5.0 5.3 1.0

E.Weidauer, Y.Yasuda, B.K.Biswal, M.Cherny, M.N.James, D.Bromme. Effects of Disease-Modifying Anti-Rheumatic Drugs (Dmards) on the Activities of Rheumatoid Arthritis-Associated Cathepsins K and S. Biol.Chem. V. 388 331 2007.
ISSN: ISSN 1431-6730
PubMed: 17338641
DOI: 10.1515/BC.2007.037