Calcium in PDB 1aqn: Subtilisin Mutant 8324

All present enzymatic activity of Subtilisin Mutant 8324:
3.4.21.62;

The structure of Subtilisin Mutant 8324, PDB code: 1aqn was solved by M.Whitlow, A.J.Howard, J.F.Wood, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	41.640, 79.450, 37.260, 90.00, 114.53, 90.00
R / Rfree (%)	13.9 / n/a

The binding sites of Calcium atom in the Subtilisin Mutant 8324 (pdb code 1aqn). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Subtilisin Mutant 8324, PDB code: 1aqn:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Subtilisin Mutant 8324


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Subtilisin Mutant 8324 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca295 b:6.4 occ:1.00 O A:VAL81 2.3 5.2 1.0 OD1 A:ASP41 2.3 6.5 1.0 O A:ILE79 2.3 6.4 1.0 OE1 A:GLN2 2.3 7.5 1.0 O A:LEU75 2.4 5.8 1.0 OD1 A:ASN77 2.4 9.6 1.0 OD2 A:ASP41 2.5 4.8 1.0 CG A:ASP41 2.8 5.6 1.0 CD A:GLN2 3.3 8.1 1.0 CG A:ASN77 3.4 9.5 1.0 C A:ILE79 3.5 6.9 1.0 C A:VAL81 3.5 4.7 1.0 C A:LEU75 3.5 5.8 1.0 N A:VAL81 3.7 4.9 1.0 CG A:GLN2 3.8 7.7 1.0 ND2 A:ASN77 3.8 7.2 1.0 N A:ASN77 4.0 9.5 1.0 C A:GLY80 4.1 5.4 1.0 CA A:VAL81 4.2 4.4 1.0 CB A:ASP41 4.3 3.9 1.0 CA A:GLY80 4.3 5.7 1.0 N A:LEU75 4.3 5.0 1.0 N A:ILE79 4.4 7.7 1.0 CA A:LEU75 4.4 5.3 1.0 N A:GLY80 4.4 6.6 1.0 NE2 A:GLN2 4.5 9.9 1.0 CG1 A:ILE79 4.5 6.7 1.0 CA A:ILE79 4.6 7.2 1.0 N A:ASN76 4.6 7.1 1.0 N A:LEU82 4.6 4.7 1.0 CB A:ASN77 4.6 10.1 1.0 CB A:GLN2 4.6 11.0 1.0 CA A:ASN76 4.7 8.7 1.0 CA A:ASN77 4.7 9.1 1.0 O A:ASN77 4.7 7.9 1.0 C A:ASN77 4.7 9.1 1.0 CB A:LEU75 4.8 5.1 1.0 C A:ALA74 4.8 4.7 1.0 CA A:LEU82 4.8 4.3 1.0 C A:ASN76 4.8 9.7 1.0 O A:GLY80 4.9 6.3 1.0 CB A:ALA74 5.0 3.1 1.0

Calcium binding site 2 out of 2 in the Subtilisin Mutant 8324


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Subtilisin Mutant 8324 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca297 b:5.6 occ:1.00 O A:HOH483 2.1 11.8 0.6 O A:HOH340 2.3 11.1 0.9 O A:GLU195 2.3 6.3 1.0 OD2 A:ASP197 2.4 4.9 1.0 OD1 A:ASP197 2.5 5.6 1.0 O A:HOH372 2.5 9.3 1.0 O A:HOH296 2.5 14.6 1.0 CG A:ASP197 2.7 5.7 1.0 O A:HOH491 3.3 11.4 0.5 C A:GLU195 3.4 5.3 1.0 O A:HOH353 3.5 8.7 0.4 CA A:GLU195 3.8 5.5 1.0 NH2 A:ARG247 4.0 8.5 1.0 O A:VAL174 4.1 5.6 1.0 CB A:ASP197 4.2 5.1 1.0 CB A:GLU195 4.3 6.5 1.0 O A:HOH303 4.4 7.1 0.7 N A:LEU196 4.5 4.3 1.0 C A:LEU196 4.5 4.1 1.0 N A:ASP197 4.5 4.0 1.0 CB A:ALA176 4.6 2.0 1.0 O A:ALA169 4.7 5.9 1.0 O A:LEU196 4.8 4.6 1.0 CA A:ASP197 4.8 3.4 1.0 O A:PRO172 4.8 7.7 1.0 N A:ALA176 4.8 2.2 1.0 O A:TYR171 4.8 7.6 1.0 CA A:PRO172 4.9 6.8 1.0 CA A:LEU196 4.9 4.6 1.0 O A:PRO194 5.0 6.5 1.0

P.Muralikrishna, E.Wickstrom. Large Increases in General Stabilityfor Subtilisin Bpn' Through Incremental Changes in the Free Energy of Unfolding To Be Published.