Calcium in PDB 6zq2: Cationic Trypsin in Complex with A Derivative of Benzamidine

All present enzymatic activity of Cationic Trypsin in Complex with A Derivative of Benzamidine:
3.4.21.4;

The structure of Cationic Trypsin in Complex with A Derivative of Benzamidine, PDB code: 6zq2 was solved by A.Sandner, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.73 / 1.29
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	54.803, 54.803, 108.558, 90, 90, 120
R / Rfree (%)	12.7 / 14.5

The binding sites of Calcium atom in the Cationic Trypsin in Complex with A Derivative of Benzamidine (pdb code 6zq2). 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 A Derivative of Benzamidine, PDB code: 6zq2:

Calcium binding site 1 out of 1 in the Cationic Trypsin in Complex with A Derivative of Benzamidine


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 A Derivative of Benzamidine within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:12.9 occ:1.00 OE1 A:GLU70 2.3 13.2 1.0 O A:VAL75 2.3 13.5 1.0 OE2 A:GLU80 2.3 13.9 1.0 O A:ASN72 2.3 13.2 1.0 O A:HOH406 2.4 13.2 1.0 O A:HOH492 2.4 14.3 1.0 CD A:GLU70 3.3 12.4 1.0 HA A:VAL76 3.3 17.0 1.0 HG2 A:GLU80 3.4 16.9 1.0 CD A:GLU80 3.4 14.7 1.0 C A:VAL75 3.4 13.6 1.0 C A:ASN72 3.5 12.9 1.0 HA A:ILE73 3.5 15.5 1.0 H A:GLU77 3.6 17.8 1.0 H A:VAL75 3.6 15.0 1.0 HG3 A:GLU77 3.7 19.6 1.0 HG3 A:GLU80 3.7 16.9 1.0 CG A:GLU80 3.7 14.1 1.0 OE2 A:GLU70 3.7 12.8 1.0 H A:ASP71 3.8 14.3 1.0 HA A:GLU70 3.9 13.5 1.0 CA A:VAL76 4.1 14.2 1.0 N A:GLU77 4.2 14.8 1.0 N A:VAL76 4.2 14.6 1.0 HB3 A:ASN72 4.2 16.7 1.0 OE1 A:GLU77 4.2 16.2 1.0 CA A:ILE73 4.2 12.9 1.0 N A:VAL75 4.3 12.5 1.0 HB2 A:GLU77 4.3 19.6 1.0 H A:ASN72 4.3 15.9 1.0 N A:ILE73 4.3 13.2 1.0 N A:ASN72 4.4 13.2 1.0 CA A:ASN72 4.5 13.0 1.0 O A:HOH498 4.5 14.6 1.0 CA A:VAL75 4.5 13.3 1.0 CG A:GLU77 4.5 16.4 1.0 OE1 A:GLU80 4.5 14.2 1.0 HB3 A:GLU70 4.5 14.6 1.0 N A:ASP71 4.5 11.9 1.0 C A:ILE73 4.5 12.6 1.0 CG A:GLU70 4.6 12.1 1.0 C A:VAL76 4.6 14.6 1.0 HB A:VAL75 4.7 16.8 1.0 CA A:GLU70 4.7 11.3 1.0 CD A:GLU77 4.8 17.6 1.0 CB A:GLU77 4.8 16.4 1.0 CB A:GLU70 4.8 12.2 1.0 CB A:ASN72 4.9 13.9 1.0 HG22 A:VAL76 4.9 19.9 1.0 N A:ASN74 4.9 12.3 1.0 C A:ASP71 4.9 12.8 1.0 O A:ILE73 4.9 14.4 1.0 HZ A:PHE82 4.9 19.9 1.0 H A:ASN74 5.0 14.8 1.0 O A:HOH596 5.0 22.9 1.0 H A:VAL76 5.0 17.5 1.0

A.Sandner, A.Heine, G.Klebe. Cationic Trypsin in Complex with A Derivative of Benzamidine To Be Published.