Calcium in PDB 5mnp: Cationic Trypsin in Complex with N-Amidinopiperidine (at 295 K)

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

The structure of Cationic Trypsin in Complex with N-Amidinopiperidine (at 295 K), PDB code: 5mnp 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)	19.67 / 1.01
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.921, 58.623, 67.731, 90.00, 90.00, 90.00
R / Rfree (%)	9 / 10.3

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

Calcium binding site 1 out of 1 in the Cationic Trypsin in Complex with N-Amidinopiperidine (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 N-Amidinopiperidine (at 295 K) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:8.2 occ:1.00 OE1 A:GLU70 2.3 9.6 1.0 O A:VAL75 2.3 9.6 1.0 OE2 A:GLU80 2.3 9.6 1.0 O A:ASN72 2.3 8.7 1.0 O A:HOH457 2.4 11.2 1.0 O A:HOH408 2.4 9.9 1.0 H2 A:HOH408 2.7 11.9 1.0 HA A:VAL76 3.3 12.2 1.0 CD A:GLU70 3.3 8.4 1.0 CD A:GLU80 3.4 9.3 1.0 C A:VAL75 3.4 8.8 1.0 C A:ASN72 3.5 7.6 1.0 H A:GLU77 3.5 12.2 1.0 HA A:ILE73 3.6 9.5 0.2 H A:VAL75 3.6 10.6 1.0 HA A:ILE73 3.6 9.6 0.8 HG3 A:GLU77 3.7 14.4 1.0 OE2 A:GLU70 3.8 10.4 1.0 CG A:GLU80 3.8 12.2 1.0 H A:ASP71 3.8 9.5 1.0 HA A:GLU70 3.9 9.4 1.0 CA A:VAL76 4.1 10.2 1.0 N A:GLU77 4.2 10.2 1.0 HB3 A:ASN72 4.2 11.4 1.0 N A:VAL76 4.2 9.7 1.0 N A:VAL75 4.3 8.8 1.0 H A:ASN72 4.3 9.7 1.0 OE1 A:GLU77 4.3 11.8 1.0 CA A:ILE73 4.3 7.9 0.2 CA A:ILE73 4.3 8.0 0.8 N A:ILE73 4.3 7.9 1.0 N A:ASN72 4.4 8.1 1.0 CA A:VAL75 4.5 9.2 1.0 CA A:ASN72 4.5 8.2 1.0 CG A:GLU77 4.5 12.0 1.0 O A:HOH456 4.5 12.4 1.0 HB3 A:GLU70 4.5 9.5 1.0 OE1 A:GLU80 4.5 10.5 1.0 C A:ILE73 4.6 8.1 1.0 N A:ASP71 4.6 7.9 1.0 CG A:GLU70 4.6 8.6 1.0 C A:VAL76 4.6 10.7 1.0 HB A:VAL75 4.6 13.1 1.0 CA A:GLU70 4.7 7.9 1.0 CB A:GLU77 4.8 12.3 1.0 CD A:GLU77 4.8 13.6 1.0 CB A:GLU70 4.8 7.9 1.0 CB A:ASN72 4.9 9.5 1.0 O A:HOH545 4.9 25.0 1.0 N A:ASN74 4.9 7.9 1.0 H A:ASN74 4.9 9.5 1.0 O A:ILE73 5.0 9.7 1.0 HG2 A:GLU70 5.0 10.2 1.0

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