Calcium in PDB 3ljj: Bovine Trypsin in Complex with Ub-Thr 10

All present enzymatic activity of Bovine Trypsin in Complex with Ub-Thr 10:
3.4.21.4;

The structure of Bovine Trypsin in Complex with Ub-Thr 10, PDB code: 3ljj was solved by C.Wegscheid-Gerlach, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.55
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	61.600, 63.700, 69.200, 90.00, 90.00, 90.00
R / Rfree (%)	25.9 / 22

The binding sites of Calcium atom in the Bovine Trypsin in Complex with Ub-Thr 10 (pdb code 3ljj). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Bovine Trypsin in Complex with Ub-Thr 10, PDB code: 3ljj:

Calcium binding site 1 out of 1 in the Bovine Trypsin in Complex with Ub-Thr 10


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Bovine Trypsin in Complex with Ub-Thr 10 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca502 b:12.8 occ:1.00 OE2 A:GLU70 2.3 12.4 1.0 OE2 A:GLU80 2.3 13.9 1.0 O A:HOH1137 2.3 13.8 1.0 O A:VAL75 2.3 13.7 1.0 O A:ASN72 2.3 13.7 1.0 O A:HOH1135 2.4 12.2 1.0 CD A:GLU80 3.3 12.4 1.0 CD A:GLU70 3.4 12.5 1.0 C A:VAL75 3.5 16.0 1.0 C A:ASN72 3.5 12.2 1.0 CG A:GLU80 3.7 12.1 1.0 OE1 A:GLU70 3.8 14.3 1.0 CA A:VAL76 4.1 15.3 1.0 N A:GLU77 4.1 15.6 1.0 N A:VAL76 4.2 14.3 1.0 CA A:ILE73 4.2 11.1 1.0 N A:ILE73 4.3 13.0 1.0 O A:HOH1014 4.3 17.2 1.0 OE2 A:GLU77 4.3 14.9 1.0 N A:ASN72 4.4 12.6 1.0 N A:VAL75 4.4 15.2 1.0 CA A:ASN72 4.4 10.5 1.0 CG A:GLU77 4.5 22.2 1.0 C A:ILE73 4.5 12.2 1.0 OE1 A:GLU80 4.5 13.1 1.0 CA A:VAL75 4.5 15.1 1.0 N A:ASP71 4.5 10.7 1.0 CG A:GLU70 4.6 10.3 1.0 O A:HOH1058 4.7 23.0 1.0 C A:VAL76 4.7 19.7 1.0 CB A:GLU77 4.7 18.3 1.0 CB A:ASN72 4.7 12.0 1.0 CA A:GLU70 4.8 10.6 1.0 N A:ASN74 4.9 13.8 1.0 CD A:GLU77 4.9 25.1 1.0 CB A:GLU70 4.9 10.0 1.0 O A:ILE73 4.9 12.8 1.0 C A:ASP71 4.9 14.8 1.0

T.Brandt, N.Holzmann, L.Muley, M.Khayat, C.Wegscheid-Gerlach, B.Baum, A.Heine, D.Hangauer, G.Klebe. Congeneric But Still Distinct: How Closely Related Trypsin Ligands Exhibit Different Thermodynamic and Structural Properties. J.Mol.Biol. V. 405 1170 2011.
ISSN: ISSN 0022-2836
PubMed: 21111747
DOI: 10.1016/J.JMB.2010.11.038