Calcium in PDB 2tgp: The Geometry of the Reactive Site and of the Peptide Groups in Trypsin, Trypsinogen and Its Complexes with Inhibitors

The structure of The Geometry of the Reactive Site and of the Peptide Groups in Trypsin, Trypsinogen and Its Complexes with Inhibitors, PDB code: 2tgp was solved by R.Huber, W.Bode, J.Deisenhofer, P.Schwager, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	6.80 / 1.90
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	75.500, 85.700, 122.900, 90.00, 90.00, 90.00
R / Rfree (%)	20 / n/a

The binding sites of Calcium atom in the The Geometry of the Reactive Site and of the Peptide Groups in Trypsin, Trypsinogen and Its Complexes with Inhibitors (pdb code 2tgp). 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 The Geometry of the Reactive Site and of the Peptide Groups in Trypsin, Trypsinogen and Its Complexes with Inhibitors, PDB code: 2tgp:

Calcium binding site 1 out of 1 in the The Geometry of the Reactive Site and of the Peptide Groups in Trypsin, Trypsinogen and Its Complexes with Inhibitors


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Geometry of the Reactive Site and of the Peptide Groups in Trypsin, Trypsinogen and Its Complexes with Inhibitors within 5.0Å range: probe atom residue distance (Å) B Occ Z:Ca462 b:37.3 occ:1.00 O Z:HOH825 2.1 22.3 1.0 OE2 Z:GLU70 2.1 12.9 1.0 OE2 Z:GLU80 2.2 20.1 1.0 O Z:HOH559 2.3 13.9 1.0 O Z:VAL75 2.4 14.8 1.0 O Z:ASN72 2.4 14.9 1.0 CD Z:GLU80 3.2 20.1 1.0 CD Z:GLU70 3.2 12.9 1.0 C Z:VAL75 3.5 14.8 1.0 C Z:ASN72 3.6 14.9 1.0 CG Z:GLU80 3.6 20.1 1.0 OE1 Z:GLU70 3.6 12.9 1.0 N Z:GLU77 4.0 26.1 1.0 CA Z:VAL76 4.1 19.9 1.0 N Z:VAL76 4.2 19.9 1.0 CG Z:GLU77 4.2 31.6 1.0 OE1 Z:GLU80 4.2 20.1 1.0 OE1 Z:GLU77 4.3 31.6 1.0 N Z:ASN72 4.4 14.9 1.0 N Z:ILE73 4.4 16.4 1.0 CA Z:GLU70 4.4 14.3 1.0 CA Z:ILE73 4.4 16.4 1.0 N Z:ASP71 4.4 11.4 1.0 CG Z:GLU70 4.5 12.9 1.0 CB Z:GLU70 4.5 14.3 1.0 CA Z:ASN72 4.5 14.9 1.0 N Z:VAL75 4.5 14.8 1.0 C Z:VAL76 4.5 19.9 1.0 CA Z:VAL75 4.6 14.8 1.0 CB Z:GLU77 4.7 26.1 1.0 CD Z:GLU77 4.8 31.6 1.0 C Z:ILE73 4.8 16.4 1.0 CB Z:ASN72 4.9 14.9 1.0 CA Z:GLU77 5.0 26.1 1.0

M.Marquart, J.Walter, J.Deisenhofer, W.Bode, R.Huber. The Geometry of the Reactive Site and of the Peptide Groups in Trypsin, Trypsinogen and Its Complexes with Inhibitors Acta Crystallogr.,Sect.B V. 39 480 1983.
ISSN: ISSN 0108-7681