Calcium in PDB 5mo1: Neutron Structure of Cationic Trypsin in Complex with Benzylamine

All present enzymatic activity of Neutron Structure of Cationic Trypsin in Complex with Benzylamine:
3.4.21.4;

The binding sites of Calcium atom in the Neutron Structure of Cationic Trypsin in Complex with Benzylamine (pdb code 5mo1). 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 Neutron Structure of Cationic Trypsin in Complex with Benzylamine, PDB code: 5mo1:

Calcium binding site 1 out of 1 in the Neutron Structure of Cationic Trypsin in Complex with Benzylamine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Neutron Structure of Cationic Trypsin in Complex with Benzylamine within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:8.5 occ:1.00 O A:VAL75 2.1 12.0 1.0 O A:DOD411 2.3 12.7 1.0 O A:DOD422 2.4 12.8 1.0 OE1 A:GLU70 2.4 9.2 1.0 O A:ASN72 2.4 9.5 1.0 OE2 A:GLU80 2.4 10.5 1.0 D1 A:DOD422 2.8 13.0 1.0 D2 A:DOD411 2.9 16.7 1.0 D1 A:DOD411 2.9 13.4 1.0 D2 A:DOD422 3.1 16.8 1.0 HA A:VAL76 3.2 11.7 1.0 C A:VAL75 3.3 11.8 1.0 D A:GLU77 3.3 12.5 0.9 H A:GLU77 3.3 12.5 0.1 HG2 A:GLU80 3.4 11.4 1.0 CD A:GLU70 3.4 8.4 1.0 HG3 A:GLU77 3.4 11.5 1.0 H A:VAL75 3.4 11.5 0.1 D A:VAL75 3.4 11.5 0.9 CD A:GLU80 3.5 11.4 1.0 C A:ASN72 3.6 10.0 1.0 HA A:ILE73 3.6 10.8 1.0 OE2 A:GLU70 3.7 9.3 1.0 D A:ASP71 3.7 8.9 1.0 H A:ASP71 3.7 8.9 0.0 CG A:GLU80 3.8 12.8 1.0 HG3 A:GLU80 3.9 12.7 1.0 HA A:GLU70 3.9 10.8 1.0 CA A:VAL76 4.0 13.1 1.0 HB3 A:ASN72 4.1 11.1 1.0 N A:VAL76 4.1 10.3 1.0 N A:GLU77 4.1 11.5 1.0 N A:VAL75 4.2 7.6 1.0 D A:ASN72 4.2 12.3 1.0 H A:ASN72 4.2 12.3 0.0 OE1 A:GLU77 4.3 13.8 1.0 CA A:ILE73 4.4 8.5 1.0 CA A:VAL75 4.4 10.0 1.0 N A:ILE73 4.4 8.6 1.0 CG A:GLU77 4.4 11.5 1.0 N A:ASN72 4.5 9.4 1.0 CA A:ASN72 4.5 7.5 1.0 D2 A:DOD457 4.5 16.1 1.0 C A:VAL76 4.6 12.3 1.0 HB A:VAL75 4.6 10.8 1.0 OE1 A:GLU80 4.6 10.2 1.0 C A:ILE73 4.6 10.2 1.0 HB3 A:GLU70 4.6 9.3 1.0 N A:ASP71 4.7 8.7 1.0 CG A:GLU70 4.7 7.3 1.0 CB A:GLU77 4.8 13.2 1.0 D1 A:DOD429 4.8 12.4 1.0 CD A:GLU77 4.8 12.8 1.0 HG23 A:VAL76 4.8 18.0 1.0 CA A:GLU70 4.8 7.9 1.0 CB A:ASN72 4.8 5.6 1.0 N A:ASN74 4.9 7.8 1.0 O A:DOD457 4.9 17.4 1.0 O A:DOD518 4.9 21.7 1.0 D A:ASN74 4.9 8.5 1.0 H A:ASN74 4.9 8.5 0.0 CB A:GLU70 5.0 6.7 1.0

J.Schiebel, A.Heine, G.Klebe. Neutron Structure of Cationic Trypsin in Complex with Benzylamine To Be Published.