Calcium in PDB 1spj: Structure of Mature Human Tissue Kallikrein (Human Kallikrein 1 or KLK1) at 1.70 Angstrom Resolution with Vacant Active Site

All present enzymatic activity of Structure of Mature Human Tissue Kallikrein (Human Kallikrein 1 or KLK1) at 1.70 Angstrom Resolution with Vacant Active Site:
3.4.21.35;

The structure of Structure of Mature Human Tissue Kallikrein (Human Kallikrein 1 or KLK1) at 1.70 Angstrom Resolution with Vacant Active Site, PDB code: 1spj was solved by G.Laxmikanthan, S.I.Blaber, M.J.Bernett, M.Blaber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.60 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	44.719, 76.404, 76.626, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / 20.2

The binding sites of Calcium atom in the Structure of Mature Human Tissue Kallikrein (Human Kallikrein 1 or KLK1) at 1.70 Angstrom Resolution with Vacant Active Site (pdb code 1spj). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Structure of Mature Human Tissue Kallikrein (Human Kallikrein 1 or KLK1) at 1.70 Angstrom Resolution with Vacant Active Site, PDB code: 1spj:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Structure of Mature Human Tissue Kallikrein (Human Kallikrein 1 or KLK1) at 1.70 Angstrom Resolution with Vacant Active Site


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of Mature Human Tissue Kallikrein (Human Kallikrein 1 or KLK1) at 1.70 Angstrom Resolution with Vacant Active Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca300 b:10.9 occ:1.00 O A:LYS169 2.3 11.7 1.0 O A:HIS172 2.3 10.5 1.0 O A:HOH937 2.4 12.4 1.0 O A:HOH619 2.4 12.3 1.0 C A:HIS172 3.5 11.9 1.0 C A:LYS169 3.5 10.6 1.0 CA A:VAL173 4.2 14.1 1.0 CA A:LYS169 4.2 7.7 1.0 N A:VAL173 4.3 13.4 1.0 N A:HIS172 4.5 11.3 1.0 CA A:HIS172 4.5 10.9 1.0 C A:VAL173 4.5 15.4 1.0 O A:GLN174 4.5 13.2 1.0 N A:LYS170 4.6 10.3 1.0 O A:VAL173 4.6 16.9 1.0 O A:LYS170 4.7 13.2 1.0 CA A:LYS170 4.7 11.9 1.0 C A:LYS170 4.7 12.1 1.0 CB A:LYS169 4.9 10.1 1.0 O A:CYS168 4.9 8.9 1.0

Calcium binding site 2 out of 2 in the Structure of Mature Human Tissue Kallikrein (Human Kallikrein 1 or KLK1) at 1.70 Angstrom Resolution with Vacant Active Site


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of Mature Human Tissue Kallikrein (Human Kallikrein 1 or KLK1) at 1.70 Angstrom Resolution with Vacant Active Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:26.2 occ:1.00 OD1 A:ASN245 2.3 18.3 1.0 O A:HOH767 2.4 27.0 1.0 O A:HOH912 2.5 37.0 1.0 O A:HOH684 2.5 28.1 1.0 O A:HOH882 2.5 37.7 1.0 O A:HOH776 2.6 32.3 1.0 CG A:ASN245 3.5 20.2 1.0 CB A:ASN245 4.4 20.9 1.0 ND2 A:ASN245 4.4 16.9 1.0 CE2 A:PHE89 4.6 15.4 1.0 O A:GLU244 4.6 23.4 1.0 OE1 A:GLU87 4.7 16.5 1.0 O A:HOH871 4.7 35.3 1.0 CZ A:PHE89 4.7 13.0 1.0 CA A:ASN245 4.7 21.3 1.0 OE2 A:GLU87 4.8 14.2 1.0

G.Laxmikanthan, S.I.Blaber, M.J.Bernett, I.A.Scarisbrick, M.A.Juliano, M.Blaber. 1.70 A X-Ray Structure of Human Apo Kallikrein 1: Structural Changes Upon Peptide Inhibitor/Substrate Binding Proteins V. 58 802 2005.
ISSN: ISSN 0887-3585
PubMed: 15651049
DOI: 10.1002/PROT.20368