Calcium in PDB 3h7d: The Crystal Structure of the Cathepsin K Variant M5 in Complex with Chondroitin-4-Sulfate

All present enzymatic activity of The Crystal Structure of the Cathepsin K Variant M5 in Complex with Chondroitin-4-Sulfate:
3.4.22.38;

The structure of The Crystal Structure of the Cathepsin K Variant M5 in Complex with Chondroitin-4-Sulfate, PDB code: 3h7d was solved by M.M.Cherney, M.Kienetz, D.Bromme, M.N.G.James, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.25 / 2.24
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	140.564, 42.014, 87.509, 90.00, 94.19, 90.00
R / Rfree (%)	17.7 / 23.8

The binding sites of Calcium atom in the The Crystal Structure of the Cathepsin K Variant M5 in Complex with Chondroitin-4-Sulfate (pdb code 3h7d). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the The Crystal Structure of the Cathepsin K Variant M5 in Complex with Chondroitin-4-Sulfate, PDB code: 3h7d:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the The Crystal Structure of the Cathepsin K Variant M5 in Complex with Chondroitin-4-Sulfate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Crystal Structure of the Cathepsin K Variant M5 in Complex with Chondroitin-4-Sulfate within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca300 b:13.4 occ:0.50 OD1 A:ASN70 2.5 9.2 1.0 OE1 A:GLN73 2.5 8.6 1.0 OE2 A:GLU59 2.5 15.1 1.0 OE1 A:GLU59 2.6 10.8 1.0 CD A:GLU59 2.9 13.3 1.0 CD A:GLN73 3.4 11.3 1.0 CG A:ASN70 3.5 13.1 1.0 NE2 A:GLN73 3.6 11.0 1.0 CA A:ASN70 4.2 9.1 1.0 ND2 A:ASN70 4.3 12.2 1.0 O A:HOH268 4.3 15.9 1.0 CB A:ASN70 4.3 10.6 1.0 CG A:GLU59 4.4 16.0 1.0 N A:ASN70 4.5 7.2 1.0 CG A:GLN73 4.8 11.4 1.0 OG1 A:THR69 4.9 9.9 1.0 O A:HOH253 5.0 8.7 1.0

Calcium binding site 2 out of 2 in the The Crystal Structure of the Cathepsin K Variant M5 in Complex with Chondroitin-4-Sulfate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The Crystal Structure of the Cathepsin K Variant M5 in Complex with Chondroitin-4-Sulfate within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca300 b:20.4 occ:0.50 OD1 E:ASN70 2.4 17.6 1.0 OE2 E:GLU59 2.5 22.8 1.0 OE1 E:GLN73 2.5 15.1 1.0 OE1 E:GLU59 2.7 13.8 1.0 CD E:GLU59 2.9 21.6 1.0 CG E:ASN70 3.4 16.6 1.0 CD E:GLN73 3.4 14.2 1.0 NE2 E:GLN73 3.6 11.2 1.0 ND2 E:ASN70 4.1 10.0 1.0 O E:HOH273 4.2 19.2 1.0 CA E:ASN70 4.2 13.0 1.0 CB E:ASN70 4.3 16.7 1.0 CG E:GLU59 4.4 13.5 1.0 N E:ASN70 4.6 11.3 1.0 OG1 E:THR69 4.8 17.1 1.0 CG E:GLN73 4.8 13.3 1.0 O E:HOH235 5.0 13.0 1.0

M.M.Cherney, F.Lecaille, M.Kienitz, F.S.Nallaseth, Z.Li, M.N.James, D.Bromme. Structure-Activity Analysis of Cathepsin K/Chondroitin 4-Sulfate Interactions. J.Biol.Chem. V. 286 8988 2011.
ISSN: ISSN 0021-9258
PubMed: 21193413
DOI: 10.1074/JBC.M110.126706