Calcium in PDB 1tgs: Three-Dimensional Structure of the Complex Between Pancreatic Secretory Inhibitor (Kazal Type) and Trypsinogen at 1.8 Angstroms Resolution. Structure Solution, Crystallographic Refinement and Preliminary Structural Interpretation

The structure of Three-Dimensional Structure of the Complex Between Pancreatic Secretory Inhibitor (Kazal Type) and Trypsinogen at 1.8 Angstroms Resolution. Structure Solution, Crystallographic Refinement and Preliminary Structural Interpretation, PDB code: 1tgs was solved by M.Bolognesi, G.Gatti, E.Menegatti, M.Guarneri, M.Marquart, E.Papamokos, R.Huber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	7.00 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	67.100, 75.500, 66.900, 90.00, 90.00, 90.00
R / Rfree (%)	18.6 / n/a

The binding sites of Calcium atom in the Three-Dimensional Structure of the Complex Between Pancreatic Secretory Inhibitor (Kazal Type) and Trypsinogen at 1.8 Angstroms Resolution. Structure Solution, Crystallographic Refinement and Preliminary Structural Interpretation (pdb code 1tgs). 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 Three-Dimensional Structure of the Complex Between Pancreatic Secretory Inhibitor (Kazal Type) and Trypsinogen at 1.8 Angstroms Resolution. Structure Solution, Crystallographic Refinement and Preliminary Structural Interpretation, PDB code: 1tgs:

Calcium binding site 1 out of 1 in the Three-Dimensional Structure of the Complex Between Pancreatic Secretory Inhibitor (Kazal Type) and Trypsinogen at 1.8 Angstroms Resolution. Structure Solution, Crystallographic Refinement and Preliminary Structural Interpretation


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Three-Dimensional Structure of the Complex Between Pancreatic Secretory Inhibitor (Kazal Type) and Trypsinogen at 1.8 Angstroms Resolution. Structure Solution, Crystallographic Refinement and Preliminary Structural Interpretation within 5.0Å range: probe atom residue distance (Å) B Occ Z:Ca800 b:16.0 occ:0.50 O Z:HOH660 1.8 21.8 1.0 O Z:VAL75 2.2 16.2 1.0 O Z:ASN72 2.2 19.9 1.0 OE1 Z:GLU70 2.2 20.1 1.0 OE1 Z:GLU80 2.3 20.1 1.0 O Z:HOH661 2.4 16.2 1.0 C Z:ASN72 3.3 19.9 1.0 C Z:VAL75 3.4 16.2 1.0 CD Z:GLU70 3.4 20.1 1.0 CD Z:GLU80 3.5 20.1 1.0 N Z:ASN72 3.7 19.9 1.0 O Z:HOH659 3.9 23.3 1.0 OE2 Z:GLU70 3.9 20.1 1.0 CA Z:ASN72 4.0 19.9 1.0 N Z:GLU77 4.1 24.3 1.0 CA Z:VAL76 4.1 16.4 1.0 N Z:VAL76 4.1 16.4 1.0 CG Z:GLU80 4.2 20.1 1.0 OE2 Z:GLU77 4.2 36.5 1.0 CB Z:ASN72 4.2 19.9 1.0 N Z:VAL75 4.3 16.2 1.0 N Z:ILE73 4.3 21.8 1.0 CA Z:VAL75 4.4 16.2 1.0 N Z:ASP71 4.4 26.4 1.0 CG Z:GLU77 4.4 36.5 1.0 OE2 Z:GLU80 4.4 20.1 1.0 CA Z:GLU70 4.5 15.9 1.0 CA Z:ILE73 4.5 21.8 1.0 CG Z:GLU70 4.6 20.1 1.0 C Z:VAL76 4.7 16.4 1.0 CB Z:GLU70 4.7 15.9 1.0 CB Z:GLU77 4.8 24.3 1.0 CD Z:GLU77 4.8 36.5 1.0 C Z:ASP71 4.8 26.4 1.0 C Z:ILE73 4.9 21.8 1.0 CB Z:VAL75 4.9 16.2 1.0 CB Z:GLU80 4.9 16.4 1.0 O Z:HOH662 4.9 14.6 1.0 C Z:GLU70 5.0 15.9 1.0

M.Bolognesi, G.Gatti, E.Menagatti, M.Guarneri, M.Marquart, E.Papamokos, R.Huber. Three-Dimensional Structure of the Complex Between Pancreatic Secretory Trypsin Inhibitor (Kazal Type) and Trypsinogen at 1.8 A Resolution. Structure Solution, Crystallographic Refinement and Preliminary Structural Interpretation. J.Mol.Biol. V. 162 839 1982.
ISSN: ISSN 0022-2836
PubMed: 7169635
DOI: 10.1016/0022-2836(82)90550-2