Calcium in PDB 1max: Beta-Trypsin Phosphonate Inhibited

All present enzymatic activity of Beta-Trypsin Phosphonate Inhibited:
3.4.21.4;

The structure of Beta-Trypsin Phosphonate Inhibited, PDB code: 1max was solved by J.Bertrand, J.Oleksyszyn, C.Kam, B.Boduszek, S.Presnell, R.Plaskon, F.Suddath, 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 (°)	54.660, 58.480, 66.930, 90.00, 90.00, 90.00
R / Rfree (%)	21.1 / n/a

The binding sites of Calcium atom in the Beta-Trypsin Phosphonate Inhibited (pdb code 1max). 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 Phosphonate Inhibited, PDB code: 1max:

Calcium binding site 1 out of 1 in the Beta-Trypsin Phosphonate Inhibited


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Beta-Trypsin Phosphonate Inhibited within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca246 b:11.4 occ:1.00 O A:HOH505 2.1 13.5 1.0 O A:VAL75 2.2 2.7 1.0 OE2 A:GLU80 2.2 3.3 1.0 O A:ASN72 2.2 2.4 1.0 OE1 A:GLU70 2.3 6.7 1.0 CD A:GLU80 3.3 7.6 1.0 CD A:GLU70 3.4 6.9 1.0 C A:VAL75 3.4 4.7 1.0 C A:ASN72 3.4 3.4 1.0 OE2 A:GLU70 3.8 7.7 1.0 CG A:GLU80 3.8 3.0 1.0 OE1 A:GLU77 3.9 12.7 1.0 N A:GLU77 4.1 8.3 1.0 CA A:VAL76 4.1 3.9 1.0 N A:VAL76 4.2 4.9 1.0 CA A:ILE73 4.2 5.1 1.0 N A:ILE73 4.2 5.7 1.0 CG A:GLU77 4.3 7.0 1.0 OE1 A:GLU80 4.3 6.5 1.0 N A:VAL75 4.3 7.7 1.0 N A:ASN72 4.4 2.0 1.0 CA A:VAL75 4.4 6.1 1.0 CA A:ASN72 4.4 3.0 1.0 N A:ASP71 4.5 8.5 1.0 CD A:GLU77 4.5 10.3 1.0 CG A:GLU70 4.5 4.6 1.0 C A:VAL76 4.6 6.5 1.0 C A:ILE73 4.6 5.4 1.0 CA A:GLU70 4.7 4.9 1.0 O A:HOH559 4.7 11.4 1.0 O A:HOH584 4.7 20.8 1.0 CB A:GLU77 4.7 11.2 1.0 CB A:GLU70 4.8 6.2 1.0 C A:ASP71 4.8 6.6 1.0 O A:ILE73 4.9 2.0 1.0 CB A:ASN72 5.0 5.7 1.0

J.A.Bertrand, J.Oleksyszyn, C.M.Kam, B.Boduszek, S.Presnell, R.R.Plaskon, F.L.Suddath, J.C.Powers, L.D.Williams. Inhibition of Trypsin and Thrombin By Amino(4-Amidinophenyl)Methanephosphonate Diphenyl Ester Derivatives: X-Ray Structures and Molecular Models. Biochemistry V. 35 3147 1996.
ISSN: ISSN 0006-2960
PubMed: 8605148
DOI: 10.1021/BI9520996