Calcium in PDB 4mtb: Bovine Trypsin in Complex with Small Molecule Inhibitor

All present enzymatic activity of Bovine Trypsin in Complex with Small Molecule Inhibitor:
3.4.21.4;

The structure of Bovine Trypsin in Complex with Small Molecule Inhibitor, PDB code: 4mtb was solved by S.Wagner, A.Heine, T.Steinmetzer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.72 / 1.22
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	54.959, 54.959, 108.059, 90.00, 90.00, 120.00
R / Rfree (%)	13.5 / 16.4

The binding sites of Calcium atom in the Bovine Trypsin in Complex with Small Molecule Inhibitor (pdb code 4mtb). 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 Small Molecule Inhibitor, PDB code: 4mtb:

Calcium binding site 1 out of 1 in the Bovine Trypsin in Complex with Small Molecule Inhibitor


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 Small Molecule Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:9.2 occ:1.00 OE2 A:GLU70 2.3 9.9 1.0 O A:VAL75 2.3 10.7 1.0 OE2 A:GLU80 2.3 10.7 1.0 O A:ASN72 2.3 10.4 1.0 O A:HOH409 2.4 10.9 1.0 O A:HOH412 2.4 10.2 1.0 CD A:GLU70 3.3 10.3 1.0 CD A:GLU80 3.4 10.9 1.0 C A:VAL75 3.4 10.4 1.0 C A:ASN72 3.5 8.6 1.0 CG A:GLU80 3.7 11.6 1.0 OE1 A:GLU70 3.8 11.0 1.0 CA A:VAL76 4.1 11.4 1.0 N A:GLU77 4.2 11.2 1.0 N A:VAL76 4.2 10.9 1.0 N A:VAL75 4.2 9.9 1.0 CA A:ILE73 4.2 9.6 1.0 OE2 A:GLU77 4.3 11.8 1.0 N A:ILE73 4.3 9.1 1.0 N A:ASN72 4.4 9.8 1.0 CG A:GLU77 4.4 12.2 1.0 CA A:VAL75 4.5 10.5 1.0 CA A:ASN72 4.5 9.7 1.0 O A:HOH414 4.5 11.7 1.0 OE1 A:GLU80 4.5 11.4 1.0 C A:ILE73 4.5 9.4 1.0 N A:ASP71 4.6 9.4 1.0 CG A:GLU70 4.6 9.5 1.0 C A:VAL76 4.6 11.8 1.0 CA A:GLU70 4.7 9.3 1.0 CB A:GLU77 4.8 12.2 1.0 CD A:GLU77 4.8 14.1 1.0 CB A:GLU70 4.8 9.5 1.0 CB A:ASN72 4.9 9.6 1.0 N A:ASN74 4.9 9.3 1.0 O A:ILE73 4.9 10.3 1.0 C A:ASP71 5.0 9.8 1.0

S.Wagner, A.Heine, T.Steinmetzer. X-Ray Structure of Trypsin-Inhibitor-Complex To Be Published.