Calcium in PDB 1f0u: Bovine Trypsin Complexed with RPR128515

All present enzymatic activity of Bovine Trypsin Complexed with RPR128515:
3.4.21.4;

The structure of Bovine Trypsin Complexed with RPR128515, PDB code: 1f0u was solved by S.Maignan, J.P.Guilloteau, S.Pouzieux, Y.M.Choi-Sledeski, M.R.Becker, S.I.Klein, W.R.Ewing, H.W.Pauls, A.P.Spada, V.Mikol, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	63.730, 63.890, 69.170, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / n/a

The binding sites of Calcium atom in the Bovine Trypsin Complexed with RPR128515 (pdb code 1f0u). 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 RPR128515, PDB code: 1f0u:

Calcium binding site 1 out of 1 in the Bovine Trypsin Complexed with RPR128515


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 RPR128515 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:12.6 occ:1.00 O A:VAL75 2.4 13.1 1.0 O A:ASN72 2.4 10.5 1.0 OE1 A:GLU70 2.5 11.6 1.0 OE2 A:GLU80 2.5 10.7 1.0 O A:HOH513 2.5 8.3 1.0 O A:HOH509 2.5 10.5 1.0 CD A:GLU80 3.5 11.4 1.0 CD A:GLU70 3.5 10.9 1.0 C A:ASN72 3.5 11.0 1.0 C A:VAL75 3.5 13.9 1.0 CG A:GLU80 3.8 10.9 1.0 OE2 A:GLU70 3.9 12.4 1.0 CA A:VAL76 4.1 14.9 1.0 N A:GLU77 4.2 14.9 1.0 N A:VAL76 4.3 13.3 1.0 N A:VAL75 4.3 14.5 1.0 CA A:ILE73 4.3 11.6 1.0 CG A:GLU77 4.3 17.2 1.0 N A:ILE73 4.4 10.8 1.0 N A:ASN72 4.4 11.0 1.0 CA A:ASN72 4.5 11.7 1.0 CA A:VAL75 4.5 14.1 1.0 C A:ILE73 4.5 12.2 1.0 OE1 A:GLU77 4.5 19.1 1.0 OE1 A:GLU80 4.6 11.8 1.0 O A:HOH502 4.6 10.8 1.0 N A:ASP71 4.6 10.4 1.0 C A:VAL76 4.7 15.4 1.0 CB A:ASN72 4.7 12.6 1.0 CG A:GLU70 4.8 10.2 1.0 CD A:GLU77 4.9 17.6 1.0 CB A:GLU77 4.9 15.4 1.0 N A:ASN74 4.9 13.2 1.0 O A:ILE73 4.9 11.9 1.0 CA A:GLU70 4.9 9.6 1.0

S.Maignan, J.P.Guilloteau, S.Pouzieux, Y.M.Choi-Sledeski, M.R.Becker, S.I.Klein, W.R.Ewing, H.W.Pauls, A.P.Spada, V.Mikol. Crystal Structures of Human Factor Xa Complexed with Potent Inhibitors. J.Med.Chem. V. 43 3226 2000.
ISSN: ISSN 0022-2623
PubMed: 10966741
DOI: 10.1021/JM000940U