Calcium in PDB 5mnm: Cationic Trypsin in Complex with Benzylamine (at 295 K)

All present enzymatic activity of Cationic Trypsin in Complex with Benzylamine (at 295 K):
3.4.21.4;

The structure of Cationic Trypsin in Complex with Benzylamine (at 295 K), PDB code: 5mnm was solved by J.Schiebel, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	17.44 / 0.98
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.841, 58.334, 67.781, 90.00, 90.00, 90.00
R / Rfree (%)	10.1 / 11.2

The binding sites of Calcium atom in the Cationic Trypsin in Complex with Benzylamine (at 295 K) (pdb code 5mnm). 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 Cationic Trypsin in Complex with Benzylamine (at 295 K), PDB code: 5mnm:

Calcium binding site 1 out of 1 in the Cationic Trypsin in Complex with Benzylamine (at 295 K)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Cationic Trypsin in Complex with Benzylamine (at 295 K) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:9.1 occ:1.00 OE1 A:GLU70 2.3 10.6 1.0 O A:VAL75 2.3 10.7 1.0 OE2 A:GLU80 2.3 10.6 1.0 O A:ASN72 2.3 9.4 1.0 O A:HOH448 2.4 12.3 1.0 O A:HOH404 2.4 11.0 1.0 HA A:VAL76 3.3 14.0 1.0 CD A:GLU70 3.3 9.1 1.0 HG2 A:GLU80 3.4 16.1 1.0 CD A:GLU80 3.4 10.2 1.0 C A:VAL75 3.4 9.8 1.0 C A:ASN72 3.5 8.4 1.0 H A:VAL75 3.6 11.7 1.0 HG3 A:GLU77 3.7 15.8 1.0 OE2 A:GLU70 3.8 11.6 1.0 CG A:GLU80 3.8 13.4 1.0 H A:ASP71 3.8 10.5 1.0 HA A:GLU70 3.9 10.5 1.0 CA A:VAL76 4.1 11.7 1.0 N A:GLU77 4.2 11.4 1.0 N A:VAL76 4.2 11.0 1.0 HB3 A:ASN72 4.2 12.1 1.0 N A:VAL75 4.2 9.7 1.0 OE1 A:GLU77 4.3 12.4 1.0 CA A:ILE73 4.3 8.8 1.0 N A:ILE73 4.3 8.5 1.0 N A:ASN72 4.4 8.8 1.0 CA A:VAL75 4.5 10.2 1.0 CA A:ASN72 4.5 8.8 1.0 HB3 A:GLU70 4.5 10.7 1.0 CG A:GLU77 4.5 13.2 1.0 O A:HOH446 4.5 13.8 1.0 OE1 A:GLU80 4.5 11.6 1.0 C A:ILE73 4.6 8.9 1.0 N A:ASP71 4.6 8.8 1.0 CG A:GLU70 4.6 9.4 1.0 HB A:VAL75 4.6 13.7 1.0 C A:VAL76 4.6 11.7 1.0 CA A:GLU70 4.7 8.7 1.0 CB A:GLU77 4.8 12.8 1.0 CB A:GLU70 4.8 8.9 1.0 O A:HOH530 4.8 28.5 1.0 CD A:GLU77 4.8 14.1 1.0 CB A:ASN72 4.9 10.1 1.0 N A:ASN74 4.9 8.6 1.0 H A:ASN74 4.9 10.3 1.0 O A:ILE73 5.0 10.4 1.0 HG2 A:GLU70 5.0 11.3 1.0

J.Schiebel, A.Heine, G.Klebe. Cationic Trypsin in Complex with Benzylamine (at 295 K) To Be Published.