Calcium in PDB 1bjv: Beta-Trypsin Complexed with Appu

All present enzymatic activity of Beta-Trypsin Complexed with Appu:
3.4.21.4;

The structure of Beta-Trypsin Complexed with Appu, PDB code: 1bjv was solved by S.Presnell, G.Patil, C.Mura, K.Jude, J.Conley, C.Kam, J.Bertrand, J.Powers, L.Williams, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	5.00 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.360, 58.200, 66.610, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / n/a

The binding sites of Calcium atom in the Beta-Trypsin Complexed with Appu (pdb code 1bjv). 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 Beta-Trypsin Complexed with Appu, PDB code: 1bjv:

Calcium binding site 1 out of 1 in the Beta-Trypsin Complexed with Appu


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Beta-Trypsin Complexed with Appu within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca246 b:9.2 occ:1.00 O A:VAL75 2.2 8.2 1.0 OE1 A:GLU70 2.2 9.5 1.0 O A:HOH514 2.3 10.2 1.0 O A:ASN72 2.3 8.6 1.0 OE2 A:GLU80 2.3 9.9 1.0 O A:HOH517 2.3 11.9 1.0 CD A:GLU70 3.3 5.0 1.0 CD A:GLU80 3.4 9.5 1.0 C A:VAL75 3.4 6.3 1.0 C A:ASN72 3.5 8.1 1.0 OE2 A:GLU70 3.7 9.7 1.0 CG A:GLU80 3.7 8.5 1.0 CA A:VAL76 4.0 8.0 1.0 OE1 A:GLU77 4.1 14.2 1.0 N A:GLU77 4.1 10.6 1.0 N A:VAL76 4.1 7.0 1.0 N A:VAL75 4.1 5.8 1.0 CA A:ILE73 4.2 7.0 1.0 N A:ILE73 4.3 6.4 1.0 N A:ASN72 4.3 8.3 1.0 CA A:VAL75 4.4 6.1 1.0 CG A:GLU77 4.4 10.9 1.0 OE1 A:GLU80 4.5 8.3 1.0 C A:ILE73 4.5 7.2 1.0 CA A:ASN72 4.5 8.8 1.0 O A:HOH526 4.5 12.3 1.0 N A:ASP71 4.5 6.1 1.0 C A:VAL76 4.6 8.6 1.0 CD A:GLU77 4.6 14.3 1.0 CG A:GLU70 4.6 7.6 1.0 CB A:GLU77 4.7 10.9 1.0 CA A:GLU70 4.8 5.7 1.0 N A:ASN74 4.8 5.0 1.0 CB A:ASN72 4.9 8.9 1.0 O A:ILE73 4.9 5.9 1.0 CB A:GLU70 4.9 4.0 1.0 C A:ASP71 4.9 8.8 1.0

S.R.Presnell, G.S.Patil, C.Mura, K.M.Jude, J.M.Conley, J.A.Bertrand, C.M.Kam, J.C.Powers, L.D.Williams. Oxyanion-Mediated Inhibition of Serine Proteases. Biochemistry V. 37 17068 1998.
ISSN: ISSN 0006-2960
PubMed: 9836602
DOI: 10.1021/BI981636U