Calcium in PDB 5tp0: Human Mesotrypsin in Complex with Diminazene

All present enzymatic activity of Human Mesotrypsin in Complex with Diminazene:
3.4.21.4;

The structure of Human Mesotrypsin in Complex with Diminazene, PDB code: 5tp0 was solved by O.Kayode, A.Soares, E.S.Radisky, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.24 / 1.25
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	40.916, 64.443, 80.675, 90.00, 90.00, 90.00
R / Rfree (%)	11.8 / 13.7

The binding sites of Calcium atom in the Human Mesotrypsin in Complex with Diminazene (pdb code 5tp0). 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 Human Mesotrypsin in Complex with Diminazene, PDB code: 5tp0:

Calcium binding site 1 out of 1 in the Human Mesotrypsin in Complex with Diminazene


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Human Mesotrypsin in Complex with Diminazene within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:9.4 occ:1.00 OE1 A:GLU70 2.3 9.4 1.0 O A:VAL75 2.3 9.8 1.0 O A:ASN72 2.3 9.5 1.0 OE2 A:GLU80 2.3 10.6 1.0 O A:HOH408 2.3 13.6 1.0 O A:HOH479 2.4 11.5 1.0 CD A:GLU70 3.3 8.7 1.0 CD A:GLU80 3.4 8.3 1.0 C A:VAL75 3.4 9.1 1.0 C A:ASN72 3.5 8.0 1.0 OE2 A:GLU70 3.7 9.1 1.0 CG A:GLU80 3.8 9.9 1.0 CA A:LEU76 4.1 10.2 1.0 N A:GLU77 4.1 10.6 1.0 N A:LEU76 4.1 8.9 1.0 N A:VAL75 4.2 10.0 1.0 OE1 A:GLU77 4.3 15.1 1.0 CA A:ILE73 4.3 9.1 1.0 CG A:GLU77 4.3 20.3 1.0 N A:ILE73 4.3 8.5 1.0 N A:ASN72 4.3 9.0 1.0 O A:HOH494 4.4 13.0 1.0 CA A:ASN72 4.4 8.4 1.0 CA A:VAL75 4.4 10.8 1.0 OE1 A:GLU80 4.5 9.5 1.0 C A:ILE73 4.5 8.9 1.0 C A:LEU76 4.6 11.1 1.0 N A:HIS71 4.6 7.7 1.0 CG A:GLU70 4.6 7.6 1.0 CB A:GLU77 4.6 16.4 1.0 O A:HOH583 4.7 30.2 1.0 CB A:ASN72 4.7 10.1 1.0 CD A:GLU77 4.7 20.4 1.0 CA A:GLU70 4.8 6.7 1.0 CB A:GLU70 4.9 7.0 1.0 N A:LYS74 4.9 9.4 1.0 O A:ILE73 4.9 10.7 1.0

O.Kayode, Z.Huang, A.S.Soares, T.R.Caulfield, Z.Dong, A.M.Bode, E.S.Radisky. Small Molecule Inhibitors of Mesotrypsin From A Structure-Based Docking Screen. Plos One V. 12 76694 2017.
ISSN: ESSN 1932-6203
PubMed: 28463992
DOI: 10.1371/JOURNAL.PONE.0176694