Calcium in PDB 8utl: Bovine Trypsin in Complex with THR3DAP Mutated Microviridin J

All present enzymatic activity of Bovine Trypsin in Complex with THR3DAP Mutated Microviridin J:
3.4.21.4;

The structure of Bovine Trypsin in Complex with THR3DAP Mutated Microviridin J, PDB code: 8utl was solved by W.Chen, S.D.Bruner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.51 / 1.56
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	71.476, 71.476, 73.297, 90, 90, 120
R / Rfree (%)	17.2 / 19.4

The binding sites of Calcium atom in the Bovine Trypsin in Complex with THR3DAP Mutated Microviridin J (pdb code 8utl). 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 THR3DAP Mutated Microviridin J, PDB code: 8utl:

Calcium binding site 1 out of 1 in the Bovine Trypsin in Complex with THR3DAP Mutated Microviridin J


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 THR3DAP Mutated Microviridin J within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca305 b:18.3 occ:1.00 OE1 A:GLU70 2.3 15.2 1.0 O A:VAL75 2.3 19.5 1.0 OE2 A:GLU80 2.3 18.2 1.0 O A:ASN72 2.3 17.7 1.0 O A:HOH404 2.4 18.8 1.0 O A:HOH506 2.4 19.5 1.0 CD A:GLU70 3.3 16.2 1.0 CD A:GLU80 3.4 17.7 1.0 C A:VAL75 3.4 23.3 1.0 C A:ASN72 3.5 19.0 1.0 CG A:GLU80 3.7 19.3 1.0 OE2 A:GLU70 3.8 16.4 1.0 CA A:VAL76 4.2 25.0 1.0 N A:GLU77 4.2 22.4 1.0 OE1 A:GLU77 4.2 24.6 1.0 N A:VAL76 4.2 21.8 1.0 CA A:ILE73 4.3 17.4 1.0 N A:VAL75 4.3 20.2 1.0 N A:ILE73 4.3 16.8 1.0 N A:ASN72 4.4 17.8 1.0 CA A:ASN72 4.4 17.5 1.0 O A:HOH517 4.4 20.0 1.0 CA A:VAL75 4.5 22.2 1.0 CG A:GLU77 4.5 23.9 1.0 OE1 A:GLU80 4.5 22.6 1.0 C A:ILE73 4.5 18.1 1.0 C A:VAL76 4.6 23.9 1.0 CG A:GLU70 4.6 15.9 1.0 N A:ASP71 4.6 14.8 1.0 CD A:GLU77 4.7 28.1 1.0 CA A:GLU70 4.8 15.0 1.0 CB A:GLU77 4.8 23.0 1.0 CB A:ASN72 4.8 17.4 1.0 O A:HOH601 4.8 26.0 1.0 N A:ASN74 4.8 18.3 1.0 CB A:GLU70 4.9 14.4 1.0 O A:ILE73 4.9 18.1 1.0

K.P.Patel, W.T.Chen, L.Delbecq, S.D.Bruner. Alternative Linkage Chemistries in the Chemoenzymatic Synthesis of Microviridin-Based Cyclic Peptides. Org.Lett. 2024.
ISSN: ISSN 1523-7060
PubMed: 38306609
DOI: 10.1021/ACS.ORGLETT.3C04045