Calcium in PDB 4dg4: Human Mesotrypsin-S39Y Complexed with Bovine Pancreatic Trypsin Inhibitor (Bpti)

All present enzymatic activity of Human Mesotrypsin-S39Y Complexed with Bovine Pancreatic Trypsin Inhibitor (Bpti):
3.4.21.4;

The structure of Human Mesotrypsin-S39Y Complexed with Bovine Pancreatic Trypsin Inhibitor (Bpti), PDB code: 4dg4 was solved by M.A.Salameh, A.S.Soares, E.S.Radisky, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.20 / 1.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	73.529, 109.949, 81.116, 90.00, 116.82, 90.00
R / Rfree (%)	16.6 / 21.1

The binding sites of Calcium atom in the Human Mesotrypsin-S39Y Complexed with Bovine Pancreatic Trypsin Inhibitor (Bpti) (pdb code 4dg4). 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-S39Y Complexed with Bovine Pancreatic Trypsin Inhibitor (Bpti), PDB code: 4dg4:

Calcium binding site 1 out of 1 in the Human Mesotrypsin-S39Y Complexed with Bovine Pancreatic Trypsin Inhibitor (Bpti)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Human Mesotrypsin-S39Y Complexed with Bovine Pancreatic Trypsin Inhibitor (Bpti) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca304 b:23.9 occ:0.53 O A:ASN72 2.7 12.7 0.9 OE2 A:GLU80 2.8 17.2 1.0 N A:HIS71 3.0 11.7 0.9 O A:HOH648 3.2 14.8 0.8 CA A:GLU70 3.3 11.6 0.8 O A:VAL75 3.4 16.3 0.8 N A:ASN72 3.5 12.1 0.9 C A:ASN72 3.5 12.7 0.9 CD A:GLU80 3.6 17.1 0.5 CG A:GLU80 3.6 16.9 0.8 C A:GLU70 3.6 11.6 0.8 CB A:GLU70 3.7 11.6 0.9 O A:HOH660 3.8 41.3 1.0 CA A:HIS71 4.1 11.7 0.9 CA A:ASN72 4.1 12.3 0.7 C A:HIS71 4.1 11.9 0.7 CG A:GLU70 4.2 11.6 1.0 C A:VAL75 4.3 16.4 0.8 O A:GLY69 4.3 11.5 0.9 CD2 A:LEU76 4.4 17.4 1.0 N A:ILE73 4.4 13.0 0.8 N A:GLU70 4.5 11.5 0.9 CA A:LEU76 4.5 17.3 0.9 CB A:HIS71 4.7 11.7 1.0 CA A:ILE73 4.7 13.4 0.9 OE1 A:GLU80 4.7 17.3 0.9 CB A:ASN72 4.8 12.2 1.0 N A:LEU76 4.8 16.9 0.8 O A:HOH658 4.8 39.5 1.0 N A:GLU77 4.8 18.2 1.0 C A:GLY69 4.8 11.5 0.6 O A:GLU70 4.9 11.7 0.8

M.A.Salameh, A.S.Soares, A.Alloy, E.S.Radisky. Presence Versus Absence of Hydrogen Bond Donor Tyr-39 Influences Interactions of Cationic Trypsin and Mesotrypsin with Protein Protease Inhibitors. Protein Sci. V. 21 1103 2012.
ISSN: ISSN 0961-8368
PubMed: 22610453
DOI: 10.1002/PRO.2097