Calcium in PDB 3mi4: Bovine Trypsin at 0.8 A Resolution, Non-Restrained Refinement

All present enzymatic activity of Bovine Trypsin at 0.8 A Resolution, Non-Restrained Refinement:
3.4.21.4;

The structure of Bovine Trypsin at 0.8 A Resolution, Non-Restrained Refinement, PDB code: 3mi4 was solved by A.Brzuszkiewicz, M.Dauter, Z.Dauter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 0.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.220, 58.530, 66.450, 90.00, 90.00, 90.00
R / Rfree (%)	10.5 / 11.2

The binding sites of Calcium atom in the Bovine Trypsin at 0.8 A Resolution, Non-Restrained Refinement (pdb code 3mi4). 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 Bovine Trypsin at 0.8 A Resolution, Non-Restrained Refinement, PDB code: 3mi4:

Calcium binding site 1 out of 1 in the Bovine Trypsin at 0.8 A Resolution, Non-Restrained Refinement


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Bovine Trypsin at 0.8 A Resolution, Non-Restrained Refinement within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca251 b:5.5 occ:1.00 OE1 A:GLU70 2.3 6.2 1.0 O A:VAL75 2.3 6.1 1.0 O A:ASN72 2.3 5.6 1.0 OE2 A:GLU80 2.3 6.0 1.0 O A:HOH317 2.3 7.3 1.0 O A:HOH309 2.4 6.0 0.9 HA A:VAL76 3.3 8.2 1.0 CD A:GLU70 3.3 5.3 1.0 HG2 A:GLU80 3.4 8.7 1.0 CD A:GLU80 3.4 6.2 1.0 C A:VAL75 3.4 5.7 1.0 C A:ASN72 3.5 5.2 1.0 H A:GLU77 3.5 8.4 1.0 HA A:ILE73 3.6 6.4 1.0 H A:VAL75 3.6 6.6 1.0 HG3 A:GLU77 3.7 9.9 1.0 HG3 A:GLU80 3.7 8.7 1.0 CG A:GLU80 3.7 7.2 1.0 OE2 A:GLU70 3.8 6.2 1.0 H A:ASP71 3.8 6.3 1.0 HA A:GLU70 3.9 6.1 1.0 CA A:VAL76 4.1 6.8 1.0 HB3 A:ASN72 4.1 8.6 1.0 N A:GLU77 4.2 7.0 1.0 N A:VAL76 4.2 6.5 1.0 N A:VAL75 4.2 5.5 1.0 OE1 A:GLU77 4.3 7.9 1.0 HB2 A:GLU77 4.3 9.7 1.0 CA A:ILE73 4.3 5.3 1.0 H A:ASN72 4.3 6.7 1.0 N A:ILE73 4.3 5.5 1.0 N A:ASN72 4.4 5.6 1.0 CA A:ASN72 4.4 5.9 1.0 CA A:VAL75 4.4 5.7 1.0 O A:HOH318 4.5 7.5 1.0 O A:HOH412 4.5 9.4 0.5 CG A:GLU77 4.5 8.2 1.0 OE1 A:GLU80 4.5 6.5 1.0 N A:ASP71 4.5 5.3 1.0 HB3 A:GLU70 4.5 6.0 1.0 C A:ILE73 4.5 5.3 1.0 CG A:GLU70 4.6 5.3 1.0 C A:VAL76 4.6 7.5 1.0 HB A:VAL75 4.7 7.4 1.0 CA A:GLU70 4.7 5.1 1.0 CB A:GLU77 4.8 8.1 1.0 CD A:GLU77 4.8 9.1 1.0 CB A:ASN72 4.8 7.1 1.0 CB A:GLU70 4.8 5.0 1.0 HG22 A:VAL76 4.9 15.6 1.0 N A:ASN74 4.9 5.1 1.0 H A:ASN74 4.9 6.2 1.0 O A:ILE73 4.9 6.3 1.0 C A:ASP71 4.9 5.1 1.0 O A:HOH431 4.9 10.9 0.5 HZ A:PHE82 5.0 10.4 1.0 H A:VAL76 5.0 7.7 1.0

A.Brzuszkiewicz, M.Dauter, Z.Dauter. Bovine Trypsin at 0.8 A and Role of Restraints at Ultra-High Resolution To Be Published.