Calcium in PDB 3v0x: Bovine Trypsin Variant X(TRIPLEGLU217PHE227) in Complex with Small Molecule Inhibitor

All present enzymatic activity of Bovine Trypsin Variant X(TRIPLEGLU217PHE227) in Complex with Small Molecule Inhibitor:
3.4.21.4;

The structure of Bovine Trypsin Variant X(TRIPLEGLU217PHE227) in Complex with Small Molecule Inhibitor, PDB code: 3v0x was solved by A.Tziridis, P.Neumann, P.Kolenko, M.T.Stubbs, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.64 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.494, 57.478, 67.003, 90.00, 90.00, 90.00
R / Rfree (%)	15.9 / 20.7

The binding sites of Calcium atom in the Bovine Trypsin Variant X(TRIPLEGLU217PHE227) in Complex with Small Molecule Inhibitor (pdb code 3v0x). 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 Variant X(TRIPLEGLU217PHE227) in Complex with Small Molecule Inhibitor, PDB code: 3v0x:

Calcium binding site 1 out of 1 in the Bovine Trypsin Variant X(TRIPLEGLU217PHE227) 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 Variant X(TRIPLEGLU217PHE227) in Complex with Small Molecule Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca480 b:15.2 occ:1.00 O A:HOH4 2.2 16.7 1.0 OE2 A:GLU80 2.2 15.3 1.0 OE1 A:GLU70 2.2 13.5 1.0 O A:VAL75 2.3 15.5 1.0 O A:ASN72 2.3 13.8 1.0 O A:HOH395 2.4 12.2 1.0 CD A:GLU80 3.3 17.2 1.0 CD A:GLU70 3.3 13.6 1.0 C A:VAL75 3.4 15.6 1.0 C A:ASN72 3.5 13.2 1.0 CG A:GLU80 3.7 14.9 1.0 OE2 A:GLU70 3.8 15.2 1.0 N A:GLU77 4.1 17.8 1.0 CA A:VAL76 4.1 17.0 1.0 N A:VAL76 4.1 16.4 1.0 N A:VAL75 4.2 13.7 1.0 OE1 A:GLU77 4.3 15.1 1.0 CA A:ILE73 4.3 12.8 1.0 N A:ILE73 4.3 13.2 1.0 N A:ASN72 4.4 12.8 1.0 CA A:VAL75 4.4 14.4 1.0 CA A:ASN72 4.4 13.6 1.0 OE1 A:GLU80 4.4 16.5 1.0 CG A:GLU77 4.5 20.2 1.0 O A:HOH10 4.5 14.6 1.0 C A:ILE73 4.5 13.0 1.0 N A:ASP71 4.6 13.5 1.0 C A:VAL76 4.6 17.6 1.0 CG A:GLU70 4.6 12.9 1.0 CB A:GLU77 4.7 18.9 1.0 CA A:GLU70 4.8 13.2 1.0 CB A:ASN72 4.8 13.3 1.0 CD A:GLU77 4.8 21.2 1.0 N A:ASN74 4.9 13.4 1.0 CB A:GLU70 4.9 12.3 1.0 O A:HOH293 4.9 27.0 1.0 C A:ASP71 5.0 15.1 1.0 O A:ILE73 5.0 12.2 1.0

A.Tziridis, P.Neumann, P.Kolenko, M.T.Stubbs. Bovine Trypsin Variants X(TRIPLEGLU217PHE227) in Complexes with Small Molecule Inhibitor To Be Published.