Calcium in PDB 1yp9: Trypsin Inhibitor Complex

All present enzymatic activity of Trypsin Inhibitor Complex:
3.4.21.4;

The structure of Trypsin Inhibitor Complex, PDB code: 1yp9 was solved by J.Fokkens, U.Obst-Sander, A.Heine, F.Diederich, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	61.200, 63.500, 69.300, 90.00, 90.00, 90.00
R / Rfree (%)	17.4 / 26.4

The binding sites of Calcium atom in the Trypsin Inhibitor Complex (pdb code 1yp9). 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 Trypsin Inhibitor Complex, PDB code: 1yp9:

Calcium binding site 1 out of 1 in the Trypsin Inhibitor Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Trypsin Inhibitor Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca3333 b:15.7 occ:1.00 O A:ASN72 2.2 12.9 1.0 O A:HOH9005 2.2 5.4 1.0 O A:VAL75 2.2 17.9 1.0 O A:HOH9118 2.2 15.9 1.0 OE1 A:GLU70 2.3 10.0 1.0 OE2 A:GLU80 2.3 16.8 1.0 CD A:GLU70 3.3 12.7 1.0 C A:ASN72 3.3 16.2 1.0 CD A:GLU80 3.3 18.2 1.0 C A:VAL75 3.4 22.0 1.0 OE2 A:GLU70 3.7 12.1 1.0 CG A:GLU80 3.8 14.0 1.0 CA A:ILE73 4.1 19.2 1.0 N A:ILE73 4.2 15.4 1.0 CA A:VAL76 4.2 19.1 1.0 N A:VAL76 4.2 17.6 1.0 N A:VAL75 4.2 12.8 1.0 OE1 A:GLU77 4.2 18.5 1.0 N A:GLU77 4.2 16.7 1.0 N A:ASN72 4.2 11.1 1.0 CA A:ASN72 4.3 12.7 1.0 CG A:GLU77 4.4 17.5 1.0 C A:ILE73 4.4 18.3 1.0 O A:HOH9037 4.4 10.1 1.0 CA A:VAL75 4.4 22.0 1.0 OE1 A:GLU80 4.4 19.0 1.0 N A:ASP71 4.6 18.1 1.0 CG A:GLU70 4.6 9.9 1.0 CB A:ASN72 4.6 18.2 1.0 C A:VAL76 4.7 23.9 1.0 O A:ILE73 4.7 9.8 1.0 N A:ASN74 4.8 14.2 1.0 CD A:GLU77 4.8 18.9 1.0 CA A:GLU70 4.8 10.6 1.0 CB A:GLU70 4.9 4.9 1.0 C A:ASP71 4.9 12.5 1.0 CB A:GLU77 5.0 13.9 1.0

J.Fokkens, G.Klebe. A Simple Protocol to Estimate Differences in Protein Binding Affinity For Enantiomers Without Prior Resolution of Racemates Angew.Chem.Int.Ed.Engl. V. 45 985 2006.
ISSN: ISSN 1433-7851
PubMed: 16374786
DOI: 10.1002/ANIE.200502302