Calcium in PDB 6ql0: Cationic Trypsin in Complex with A D-Phe-Pro-P-Aminopyridine Derivative

All present enzymatic activity of Cationic Trypsin in Complex with A D-Phe-Pro-P-Aminopyridine Derivative:
3.4.21.4;

The structure of Cationic Trypsin in Complex with A D-Phe-Pro-P-Aminopyridine Derivative, PDB code: 6ql0 was solved by K.Ngo, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.34 / 1.63
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	54.666, 54.666, 106.274, 90.00, 90.00, 120.00
R / Rfree (%)	15.8 / 19.5

The binding sites of Calcium atom in the Cationic Trypsin in Complex with A D-Phe-Pro-P-Aminopyridine Derivative (pdb code 6ql0). 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 D-Phe-Pro-P-Aminopyridine Derivative, PDB code: 6ql0:

Calcium binding site 1 out of 1 in the Cationic Trypsin in Complex with A D-Phe-Pro-P-Aminopyridine Derivative


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 D-Phe-Pro-P-Aminopyridine Derivative within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:12.8 occ:1.00 OE1 A:GLU70 2.3 13.3 1.0 O A:VAL75 2.3 14.6 1.0 O A:ASN72 2.3 13.7 1.0 OE2 A:GLU80 2.3 12.6 1.0 O A:HOH424 2.4 13.9 1.0 O A:HOH407 2.4 12.9 1.0 HG2 A:GLU80 3.3 18.4 1.0 CD A:GLU70 3.3 10.6 1.0 CD A:GLU80 3.4 14.1 1.0 HA A:VAL76 3.4 14.4 1.0 C A:VAL75 3.4 12.6 1.0 C A:ASN72 3.5 11.3 1.0 HA A:ILE73 3.5 14.8 1.0 H A:VAL75 3.6 14.7 1.0 H A:GLU77 3.6 17.4 1.0 HG3 A:GLU77 3.6 16.5 1.0 HG3 A:GLU80 3.7 18.4 1.0 CG A:GLU80 3.7 15.3 1.0 OE2 A:GLU70 3.8 12.8 1.0 H A:ASP71 3.8 15.3 1.0 HA A:GLU70 3.9 14.2 1.0 CA A:VAL76 4.1 12.0 1.0 HB3 A:ASN72 4.2 15.1 1.0 N A:VAL76 4.2 14.0 1.0 CA A:ILE73 4.2 12.3 1.0 N A:GLU77 4.2 14.5 1.0 N A:VAL75 4.2 12.2 1.0 OE1 A:GLU77 4.3 15.1 1.0 N A:ILE73 4.3 11.8 1.0 H A:ASN72 4.3 14.7 1.0 HB2 A:GLU77 4.3 17.0 1.0 N A:ASN72 4.4 12.3 1.0 CA A:VAL75 4.4 13.3 1.0 CA A:ASN72 4.4 12.0 1.0 CG A:GLU77 4.5 13.7 1.0 O A:HOH454 4.5 13.3 1.0 HB3 A:GLU70 4.5 14.6 1.0 C A:ILE73 4.5 12.8 1.0 OE1 A:GLU80 4.5 14.4 1.0 N A:ASP71 4.5 12.8 1.0 CG A:GLU70 4.6 13.9 1.0 HB A:VAL75 4.7 14.5 1.0 C A:VAL76 4.7 13.8 1.0 CA A:GLU70 4.7 11.8 1.0 CD A:GLU77 4.8 20.7 1.0 O1 A:EDO302 4.8 19.2 1.0 CB A:GLU77 4.8 14.2 1.0 CB A:ASN72 4.8 12.5 1.0 CB A:GLU70 4.8 12.2 1.0 O A:ILE73 4.9 12.8 1.0 N A:ASN74 4.9 14.5 1.0 HG22 A:VAL76 4.9 17.1 1.0 C A:ASP71 5.0 13.2 1.0 H A:ASN74 5.0 17.4 1.0 H A:VAL76 5.0 16.8 1.0 HG2 A:GLU70 5.0 16.6 1.0

K.Ngo, A.Heine, G.Klebe. Thrombin in Complex with A D-Phe-Pro-Diaminopyridine Derivative To Be Published.