Calcium in PDB 1bju: Beta-Trypsin Complexed with Acpu

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

The structure of Beta-Trypsin Complexed with Acpu, PDB code: 1bju 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)	7.00 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.840, 58.490, 67.830, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / n/a

The structure of Beta-Trypsin Complexed with Acpu also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

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

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


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 Acpu within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca246 b:12.6 occ:1.00 O A:HOH552 2.2 14.8 1.0 O A:HOH551 2.2 13.6 1.0 O A:VAL75 2.2 8.0 1.0 OE1 A:GLU70 2.3 13.1 1.0 O A:ASN72 2.3 8.8 1.0 OE2 A:GLU80 2.3 11.9 1.0 CD A:GLU70 3.3 11.1 1.0 CD A:GLU80 3.4 14.6 1.0 C A:VAL75 3.4 9.1 1.0 C A:ASN72 3.5 8.3 1.0 OE2 A:GLU70 3.7 10.5 1.0 CG A:GLU80 3.8 9.9 1.0 CA A:VAL76 4.1 11.2 1.0 OE1 A:GLU77 4.1 17.5 1.0 N A:GLU77 4.2 13.1 1.0 N A:VAL76 4.2 11.5 1.0 CA A:ILE73 4.3 8.9 1.0 N A:VAL75 4.3 8.7 1.0 N A:ILE73 4.3 6.5 1.0 N A:ASN72 4.3 7.7 1.0 OE1 A:GLU80 4.4 10.9 1.0 CA A:ASN72 4.4 8.1 1.0 CA A:VAL75 4.5 8.2 1.0 CG A:GLU77 4.5 17.1 1.0 N A:ASP71 4.5 7.6 1.0 O A:HOH553 4.5 17.3 1.0 C A:ILE73 4.6 8.8 1.0 CG A:GLU70 4.6 8.0 1.0 C A:VAL76 4.6 13.1 1.0 CD A:GLU77 4.7 18.5 1.0 CA A:GLU70 4.7 8.3 1.0 CB A:ASN72 4.8 7.2 1.0 CB A:GLU77 4.8 15.0 1.0 CB A:GLU70 4.9 8.7 1.0 C A:ASP71 4.9 9.9 1.0 O A:ILE73 5.0 8.7 1.0 N A:ASN74 5.0 6.2 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