Calcium in PDB 2ra3: Human Cationic Trypsin Complexed with Bovine Pancreatic Trypsin Inhibitor (Bpti)

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

The structure of Human Cationic Trypsin Complexed with Bovine Pancreatic Trypsin Inhibitor (Bpti), PDB code: 2ra3 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)	26.13 / 1.46
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	91.183, 186.546, 90.187, 90.00, 90.00, 90.00
R / Rfree (%)	15.3 / 17.8

The binding sites of Calcium atom in the Human Cationic Trypsin Complexed with Bovine Pancreatic Trypsin Inhibitor (Bpti) (pdb code 2ra3). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Human Cationic Trypsin Complexed with Bovine Pancreatic Trypsin Inhibitor (Bpti), PDB code: 2ra3:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Human Cationic Trypsin 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 Cationic Trypsin Complexed with Bovine Pancreatic Trypsin Inhibitor (Bpti) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1 b:22.2 occ:1.00 OE2 A:GLU70 2.2 19.9 1.0 O A:VAL75 2.3 22.6 1.0 O A:ASN72 2.3 21.6 1.0 OE2 A:GLU80 2.4 23.9 1.0 O A:HOH274 2.4 25.2 1.0 O A:HOH311 2.5 25.7 1.0 CD A:GLU70 3.3 22.5 1.0 CD A:GLU80 3.4 22.4 1.0 C A:VAL75 3.4 25.7 1.0 C A:ASN72 3.5 19.9 1.0 OE1 A:GLU70 3.7 22.7 1.0 CG A:GLU80 3.8 21.2 1.0 CA A:LEU76 4.1 29.6 0.5 CA A:LEU76 4.2 30.0 0.5 N A:GLU77 4.2 32.6 1.0 N A:LEU76 4.2 27.6 1.0 CA A:ILE73 4.2 18.2 1.0 N A:VAL75 4.3 23.1 1.0 OE1 A:GLU77 4.3 35.9 1.0 N A:ILE73 4.3 19.4 1.0 O A:HOH363 4.3 33.0 1.0 CG A:GLU77 4.3 42.3 1.0 N A:ASN72 4.4 20.5 1.0 CA A:VAL75 4.5 24.6 1.0 CA A:ASN72 4.5 19.7 1.0 C A:ILE73 4.5 19.8 1.0 C A:LEU76 4.5 31.6 1.0 OE1 A:GLU80 4.6 24.1 1.0 CG A:GLU70 4.6 21.6 1.0 CB A:GLU77 4.6 38.9 1.0 N A:HIS71 4.7 21.5 1.0 CD A:GLU77 4.7 43.3 1.0 CA A:GLU70 4.7 17.1 1.0 O A:ILE73 4.8 23.3 1.0 CB A:GLU70 4.8 19.2 1.0 O A:HOH324 4.9 34.8 1.0 N A:GLU74 4.9 20.1 1.0 CB A:ASN72 4.9 24.4 1.0

Calcium binding site 2 out of 2 in the Human Cationic Trypsin 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 2 of Human Cationic Trypsin Complexed with Bovine Pancreatic Trypsin Inhibitor (Bpti) within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1 b:20.2 occ:1.00 OE2 B:GLU70 2.3 19.3 1.0 O B:ASN72 2.3 19.5 1.0 O B:VAL75 2.3 21.5 1.0 OE2 B:GLU80 2.4 23.2 1.0 OE2 B:GLU77 2.4 22.4 1.0 O B:HOH291 2.4 23.3 1.0 CD B:GLU77 3.3 29.8 1.0 CD B:GLU70 3.3 21.4 1.0 CD B:GLU80 3.4 21.6 1.0 C B:VAL75 3.5 23.3 1.0 C B:ASN72 3.5 18.3 1.0 CG B:GLU77 3.7 30.8 1.0 CG B:GLU80 3.7 21.7 1.0 OE1 B:GLU70 3.7 22.0 1.0 N B:GLU77 4.1 22.6 1.0 CA B:LEU76 4.1 25.7 1.0 N B:LEU76 4.2 23.7 1.0 N B:VAL75 4.3 22.0 1.0 CA B:ILE73 4.3 19.4 1.0 N B:ILE73 4.3 19.9 1.0 OE1 B:GLU77 4.4 30.5 1.0 N B:ASN72 4.4 19.2 1.0 CA B:ASN72 4.4 17.7 1.0 O B:HOH301 4.5 27.9 1.0 CA B:VAL75 4.5 23.7 1.0 C B:LEU76 4.5 27.7 1.0 OE1 B:GLU80 4.5 21.3 1.0 CB B:GLU77 4.6 29.8 1.0 C B:ILE73 4.6 20.0 1.0 CG B:GLU70 4.6 19.5 1.0 CA B:GLU70 4.7 17.1 1.0 N B:HIS71 4.7 19.8 1.0 CB B:ASN72 4.8 20.6 1.0 CB B:GLU70 4.8 17.9 1.0 O B:HOH494 5.0 35.3 1.0 O B:ILE73 5.0 21.1 1.0 N B:GLU74 5.0 19.1 1.0

M.A.Salameh, A.S.Soares, A.Hockla, E.S.Radisky. Structural Basis For Accelerated Cleavage of Bovine Pancreatic Trypsin Inhibitor (Bpti) By Human Mesotrypsin. J.Biol.Chem. V. 283 4115 2008.
ISSN: ISSN 0021-9258
PubMed: 18077447
DOI: 10.1074/JBC.M708268200