Calcium in PDB 1y3w: Trypsin Inhibitor Complex

All present enzymatic activity of Trypsin Inhibitor Complex:
3.4.21.4;

The structure of Trypsin Inhibitor Complex, PDB code: 1y3w was solved by J.Fokkens, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	63.140, 69.280, 63.960, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 24.2

The binding sites of Calcium atom in the Trypsin Inhibitor Complex (pdb code 1y3w). 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: 1y3w:

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:Ca3394 b:13.8 occ:1.00 OE2 A:GLU80 2.2 13.7 1.0 OE1 A:GLU70 2.3 15.2 1.0 O A:ASN72 2.3 11.4 1.0 O A:HOH3460 2.3 15.3 1.0 O A:VAL75 2.3 15.8 1.0 O A:HOH3501 2.4 14.0 1.0 CD A:GLU80 3.3 12.3 1.0 CD A:GLU70 3.3 12.6 1.0 C A:ASN72 3.4 9.6 1.0 C A:VAL75 3.5 16.7 1.0 OE2 A:GLU70 3.7 15.1 1.0 CG A:GLU80 3.7 13.5 1.0 CA A:VAL76 4.1 10.4 1.0 N A:GLU77 4.2 16.1 1.0 OE1 A:GLU77 4.2 20.0 1.0 N A:VAL76 4.3 13.0 1.0 CA A:ILE73 4.3 15.2 1.0 N A:ILE73 4.3 11.6 1.0 N A:VAL75 4.3 15.4 1.0 CG A:GLU77 4.4 20.0 1.0 CA A:ASN72 4.4 13.8 1.0 N A:ASN72 4.4 15.1 1.0 OE1 A:GLU80 4.4 15.8 1.0 O A:HOH3400 4.4 14.4 1.0 CA A:VAL75 4.5 21.6 1.0 C A:ILE73 4.5 16.1 1.0 CG A:GLU70 4.6 10.7 1.0 C A:VAL76 4.7 21.4 1.0 N A:ASP71 4.7 15.7 1.0 CB A:ASN72 4.7 16.5 1.0 CB A:GLU77 4.8 15.9 1.0 CA A:GLU70 4.8 13.5 1.0 O A:HOH3467 4.8 26.8 1.0 CD A:GLU77 4.8 22.4 1.0 CB A:GLU70 4.8 9.6 1.0 N A:ASN74 4.9 17.0 1.0 O A:ILE73 5.0 12.9 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: ESSN 0570-0833
PubMed: 16374786
DOI: 10.1002/ANIE.200502302