Calcium in PDB 1tx8: Bovine Trypsin Complexed with Amso

All present enzymatic activity of Bovine Trypsin Complexed with Amso:
3.4.21.4;

The structure of Bovine Trypsin Complexed with Amso, PDB code: 1tx8 was solved by A.D.Mesecar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.795, 58.580, 67.563, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 19.3

The binding sites of Calcium atom in the Bovine Trypsin Complexed with Amso (pdb code 1tx8). 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 Complexed with Amso, PDB code: 1tx8:

Calcium binding site 1 out of 1 in the Bovine Trypsin Complexed with Amso


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Bovine Trypsin Complexed with Amso within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:29.5 occ:1.00 O A:VAL75 2.5 17.1 1.0 OE1 A:GLU70 2.5 17.2 1.0 OE2 A:GLU80 2.6 17.5 1.0 O A:ASN72 2.6 11.9 1.0 O A:HOH322 2.7 20.7 1.0 O A:HOH344 2.8 29.3 1.0 C A:VAL75 3.4 15.2 1.0 CD A:GLU80 3.5 18.3 1.0 CD A:GLU70 3.5 17.3 1.0 C A:ASN72 3.7 10.6 1.0 CG A:GLU80 3.7 16.2 1.0 CA A:VAL76 4.0 16.3 1.0 OE2 A:GLU70 4.0 19.3 1.0 N A:GLU77 4.1 18.5 1.0 N A:VAL76 4.1 15.1 1.0 N A:VAL75 4.3 12.0 1.0 N A:ASN72 4.3 11.2 1.0 CG A:GLU77 4.4 26.3 1.0 CA A:VAL75 4.4 14.2 1.0 CA A:ILE73 4.4 11.8 1.0 N A:ASP71 4.5 12.6 1.0 N A:ILE73 4.5 10.8 1.0 C A:VAL76 4.5 18.1 1.0 CA A:ASN72 4.6 11.1 1.0 O A:HOH341 4.6 20.2 1.0 OE1 A:GLU80 4.6 17.2 1.0 CG A:GLU70 4.6 15.2 1.0 OE1 A:GLU77 4.6 31.5 1.0 CA A:GLU70 4.7 11.7 1.0 C A:ILE73 4.7 11.6 1.0 CB A:GLU70 4.8 12.6 1.0 CD A:GLU77 4.9 28.8 1.0 CB A:GLU77 4.9 22.5 1.0 CB A:ASN72 5.0 11.7 1.0 N A:ASN74 5.0 10.1 1.0

S.Rumthao, O.Lee, Q.Sheng, W.Fu, D.C.Mulhearn, D.Crich, A.D.Mesecar, M.E.Johnson. Design, Synthesis, and Evaluation of Oxyanion-Hole Selective Inhibitor Substituents For the S1 Subsite of Factor Xa Bioorg.Med.Chem.Lett. V. 14 5165 2004.
ISSN: ISSN 0960-894X
PubMed: 15380220
DOI: 10.1016/J.BMCL.2004.07.054