Calcium in PDB 4an7: Kunitz Type Trypsin Inhibitor Complex with Porcine Trypsin

All present enzymatic activity of Kunitz Type Trypsin Inhibitor Complex with Porcine Trypsin:
3.4.21.4;

The structure of Kunitz Type Trypsin Inhibitor Complex with Porcine Trypsin, PDB code: 4an7 was solved by D.N.Patil, A.Chaudhary, P.Kumar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.22 / 2.23
Space group	P 21 2 21
Cell size a, b, c (Å), α, β, γ (°)	61.084, 67.120, 91.612, 90.00, 90.00, 90.00
R / Rfree (%)	20 / 24.6

The binding sites of Calcium atom in the Kunitz Type Trypsin Inhibitor Complex with Porcine Trypsin (pdb code 4an7). 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 Kunitz Type Trypsin Inhibitor Complex with Porcine Trypsin, PDB code: 4an7:

Calcium binding site 1 out of 1 in the Kunitz Type Trypsin Inhibitor Complex with Porcine Trypsin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Kunitz Type Trypsin Inhibitor Complex with Porcine Trypsin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1246 b:37.2 occ:1.00 OE1 A:GLU70 2.3 35.5 1.0 O A:HOH2047 2.3 27.3 1.0 O A:ASN72 2.3 31.1 1.0 O A:VAL75 2.3 32.1 1.0 OE2 A:GLU80 2.5 31.8 1.0 O A:HOH2046 2.5 33.1 1.0 CD A:GLU70 3.3 34.5 1.0 C A:ASN72 3.4 31.8 1.0 C A:VAL75 3.4 32.9 1.0 CD A:GLU80 3.5 34.0 1.0 CG A:GLU80 3.7 34.6 1.0 OE2 A:GLU70 3.7 37.3 1.0 N A:GLU77 4.1 35.7 1.0 OE1 A:GLU77 4.1 35.4 1.0 CA A:LEU76 4.2 34.6 1.0 N A:LEU76 4.2 34.5 1.0 CA A:ILE73 4.2 30.5 1.0 N A:ILE73 4.2 30.8 1.0 N A:VAL75 4.2 32.0 1.0 N A:ASN72 4.2 32.4 1.0 CA A:ASN72 4.3 32.0 1.0 O A:HOH2045 4.4 34.8 1.0 CA A:VAL75 4.4 33.5 1.0 CG A:GLU77 4.4 37.1 1.0 C A:ILE73 4.5 30.6 1.0 CB A:ASN72 4.6 33.4 1.0 C A:LEU76 4.6 35.3 1.0 CG A:GLU70 4.6 33.5 1.0 OE1 A:GLU80 4.6 35.9 1.0 N A:HIS71 4.7 32.7 1.0 O A:HOH2048 4.7 26.8 1.0 CD A:GLU77 4.8 36.5 1.0 CB A:GLU77 4.8 36.5 1.0 CA A:GLU70 4.8 32.6 1.0 CB A:GLU70 4.8 33.7 1.0 N A:ASP74 4.9 30.4 1.0 O A:ILE73 4.9 31.0 1.0

D.N.Patil, A.Chaudhary, A.K.Sharma, S.Tomar, P.Kumar. Structural Basis For Dual Inhibitory Role of Tamarind Kunitz Inhibitor (Tki) Against Factor Xa and Trypsin. Febs J. V. 279 4547 2012.
ISSN: ISSN 1742-464X
PubMed: 23094997
DOI: 10.1111/FEBS.12042