Calcium in PDB 4ktu: Bovine Trypsin in Complex with Microviridin J at pH 6.5

All present enzymatic activity of Bovine Trypsin in Complex with Microviridin J at pH 6.5:
3.4.21.4;

The structure of Bovine Trypsin in Complex with Microviridin J at pH 6.5, PDB code: 4ktu was solved by F.Quitterer, M.Groll, C.Hertweck, E.Dittmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 1.35
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	71.230, 71.230, 72.770, 90.00, 90.00, 120.00
R / Rfree (%)	13.5 / 16

The binding sites of Calcium atom in the Bovine Trypsin in Complex with Microviridin J at pH 6.5 (pdb code 4ktu). 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 in Complex with Microviridin J at pH 6.5, PDB code: 4ktu:

Calcium binding site 1 out of 1 in the Bovine Trypsin in Complex with Microviridin J at pH 6.5


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Bovine Trypsin in Complex with Microviridin J at pH 6.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:20.3 occ:1.00 O A:VAL75 2.3 21.0 1.0 O A:ASN72 2.3 17.2 1.0 OE1 A:GLU70 2.3 16.1 1.0 OE2 A:GLU80 2.3 20.2 1.0 O A:HOH454 2.4 20.3 1.0 O A:HOH433 2.4 19.3 1.0 CD A:GLU80 3.4 19.6 1.0 CD A:GLU70 3.4 15.9 1.0 C A:VAL75 3.5 22.1 1.0 C A:ASN72 3.5 17.8 1.0 CG A:GLU80 3.7 21.2 1.0 OE2 A:GLU70 3.8 17.1 1.0 N A:GLU77 4.1 25.0 1.0 CA A:VAL76 4.2 25.3 1.0 N A:VAL76 4.2 26.1 1.0 OE1 A:GLU77 4.2 24.1 1.0 N A:VAL75 4.3 22.3 1.0 CA A:ILE73 4.3 16.8 1.0 N A:ILE73 4.3 17.4 1.0 N A:ASN72 4.4 19.0 1.0 CA A:ASN72 4.4 17.3 1.0 O A:HOH434 4.5 21.8 1.0 CG A:GLU77 4.5 25.4 1.0 CA A:VAL75 4.5 24.4 1.0 OE1 A:GLU80 4.5 23.8 1.0 C A:ILE73 4.5 17.4 1.0 C A:VAL76 4.6 25.5 1.0 N A:ASP71 4.6 16.7 1.0 CG A:GLU70 4.7 15.3 1.0 CB A:GLU77 4.7 26.1 1.0 CB A:ASN72 4.7 19.7 1.0 O A:HOH587 4.7 33.6 1.0 CD A:GLU77 4.8 26.4 1.0 CA A:GLU70 4.8 16.5 1.0 O A:ILE73 4.9 17.4 1.0 N A:ASN74 4.9 18.2 1.0 CB A:GLU70 4.9 14.7 1.0

A.R.Weiz, K.Ishida, F.Quitterer, S.Meyer, J.C.Kehr, K.M.Muller, M.Groll, C.Hertweck, E.Dittmann. Harnessing the Evolvability of Tricyclic Microviridins to Dissect Protease-Inhibitor Interactions. Angew.Chem.Int.Ed.Engl. V. 53 3735 2014.
ISSN: ISSN 1433-7851
PubMed: 24591244
DOI: 10.1002/ANIE.201309721