Calcium in PDB 1v2w: Trypsin Inhibitor in Complex with Bovine Trypsin Variant X(Ssai)Bt.B4

All present enzymatic activity of Trypsin Inhibitor in Complex with Bovine Trypsin Variant X(Ssai)Bt.B4:
3.4.21.4;

The structure of Trypsin Inhibitor in Complex with Bovine Trypsin Variant X(Ssai)Bt.B4, PDB code: 1v2w was solved by D.Rauh, G.Klebe, M.T.Stubbs, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.23 / 1.75
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.010, 58.210, 68.040, 90.00, 90.00, 90.00
R / Rfree (%)	20.3 / 22.3

The binding sites of Calcium atom in the Trypsin Inhibitor in Complex with Bovine Trypsin Variant X(Ssai)Bt.B4 (pdb code 1v2w). 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 Trypsin Inhibitor in Complex with Bovine Trypsin Variant X(Ssai)Bt.B4, PDB code: 1v2w:

Calcium binding site 1 out of 1 in the Trypsin Inhibitor in Complex with Bovine Trypsin Variant X(Ssai)Bt.B4


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Trypsin Inhibitor in Complex with Bovine Trypsin Variant X(Ssai)Bt.B4 within 5.0Å range: probe atom residue distance (Å) B Occ T:Ca480 b:14.7 occ:1.00 OE1 T:GLU70 2.4 13.7 1.0 O T:VAL75 2.4 16.1 1.0 O T:ASN72 2.4 12.6 1.0 OE2 T:GLU80 2.5 19.4 1.0 O T:HOH810 2.7 16.8 1.0 O T:HOH814 2.7 20.4 1.0 CD T:GLU70 3.4 14.7 1.0 CD T:GLU80 3.5 17.0 1.0 C T:VAL75 3.5 18.2 1.0 C T:ASN72 3.6 13.8 1.0 CG T:GLU80 3.7 18.7 1.0 OE2 T:GLU70 3.8 18.4 1.0 N T:GLU77 4.0 19.2 1.0 CA T:VAL76 4.1 19.2 1.0 OE1 T:GLU77 4.2 20.8 1.0 N T:VAL76 4.2 18.2 1.0 CA T:ILE73 4.3 14.9 1.0 CG T:GLU77 4.3 22.2 1.0 N T:VAL75 4.3 16.2 1.0 N T:ILE73 4.4 13.8 1.0 N T:ASN72 4.4 13.9 1.0 O T:HOH838 4.5 19.2 1.0 CA T:VAL75 4.5 17.4 1.0 N T:ASP71 4.5 15.6 1.0 CA T:ASN72 4.5 13.4 1.0 C T:VAL76 4.6 20.6 1.0 C T:ILE73 4.6 15.8 1.0 OE1 T:GLU80 4.6 16.4 1.0 CB T:GLU77 4.7 21.9 1.0 CG T:GLU70 4.7 14.6 1.0 CD T:GLU77 4.7 22.6 1.0 CA T:GLU70 4.8 14.0 1.0 CB T:ASN72 4.9 14.9 1.0 N T:ASN74 4.9 14.2 1.0 CB T:GLU70 5.0 14.4 1.0 O T:HOH888 5.0 28.0 1.0

D.Rauh, G.Klebe, M.T.Stubbs. Understanding Protein-Ligand Interactions: the Price of Protein Flexibility J.Mol.Biol. V. 335 1325 2004.
ISSN: ISSN 0022-2836
PubMed: 14729347
DOI: 10.1016/J.JMB.2003.11.041