Calcium in PDB 3tgj: S195A Trypsinogen Complexed with Bovine Pancreatic Trypsin Inhibitor (Bpti)

All present enzymatic activity of S195A Trypsinogen Complexed with Bovine Pancreatic Trypsin Inhibitor (Bpti):
3.4.21.4;

The structure of S195A Trypsinogen Complexed with Bovine Pancreatic Trypsin Inhibitor (Bpti), PDB code: 3tgj was solved by A.Pasternak, D.Ringe, L.Hedstrom, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 2.20
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	92.660, 92.660, 62.360, 90.00, 90.00, 120.00
R / Rfree (%)	19.7 / 24

The binding sites of Calcium atom in the S195A Trypsinogen Complexed with Bovine Pancreatic Trypsin Inhibitor (Bpti) (pdb code 3tgj). 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 S195A Trypsinogen Complexed with Bovine Pancreatic Trypsin Inhibitor (Bpti), PDB code: 3tgj:

Calcium binding site 1 out of 1 in the S195A Trypsinogen 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 S195A Trypsinogen Complexed with Bovine Pancreatic Trypsin Inhibitor (Bpti) within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca800 b:21.7 occ:1.00 O E:VAL75 2.2 14.2 1.0 OE2 E:GLU80 2.3 16.5 1.0 OE1 E:GLU70 2.3 22.4 1.0 O E:ASN72 2.4 19.3 1.0 OE1 E:GLU77 2.4 21.8 1.0 O E:HOH555 2.8 29.9 1.0 CD E:GLU77 3.3 17.5 1.0 CD E:GLU80 3.3 15.4 1.0 C E:VAL75 3.4 12.2 1.0 C E:ASN72 3.5 17.0 1.0 CD E:GLU70 3.5 19.3 1.0 CG E:GLU80 3.7 15.9 1.0 CG E:GLU77 3.9 17.8 1.0 N E:GLU77 4.0 21.8 1.0 OE2 E:GLU70 4.1 20.8 1.0 OE2 E:GLU77 4.2 24.1 1.0 N E:VAL75 4.2 13.7 1.0 N E:ASN72 4.2 15.0 1.0 N E:ILE73 4.3 17.9 1.0 N E:LEU76 4.3 11.2 1.0 CA E:LEU76 4.3 15.2 1.0 CA E:ILE73 4.4 15.4 1.0 CB E:GLU77 4.4 18.9 1.0 CA E:VAL75 4.4 11.5 1.0 CA E:ASN72 4.4 15.8 1.0 OE1 E:GLU80 4.5 12.8 1.0 N E:HIS71 4.5 15.7 1.0 CG E:GLU70 4.6 15.7 1.0 C E:ILE73 4.6 17.3 1.0 C E:LEU76 4.6 18.2 1.0 CB E:GLU70 4.7 13.5 1.0 CA E:GLU70 4.7 13.5 1.0 CB E:ASN72 4.7 15.0 1.0 O E:HOH588 4.8 45.5 1.0 CA E:GLU77 4.8 22.6 1.0 N E:ASN74 4.9 14.8 1.0 O E:ILE73 5.0 18.0 1.0

A.Pasternak, D.Ringe, L.Hedstrom. Comparison of Anionic and Cationic Trypsinogens: the Anionic Activation Domain Is More Flexible in Solution and Differs in Its Mode of Bpti Binding in the Crystal Structure Protein Sci. V. 8 253 1999.
ISSN: ISSN 0961-8368
PubMed: 10210204