Calcium in PDB 1ak9: Subtilisin Mutant 8321

All present enzymatic activity of Subtilisin Mutant 8321:
3.4.21.62;

The structure of Subtilisin Mutant 8321, PDB code: 1ak9 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 (%)	n/a / n/a

The structure of Subtilisin Mutant 8321 also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Calcium atom in the Subtilisin Mutant 8321 (pdb code 1ak9). 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 8321, PDB code: 1ak9:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Subtilisin Mutant 8321


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Subtilisin Mutant 8321 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca295 b:7.3 occ:1.00 O A:ILE79 2.2 6.6 1.0 O A:LEU75 2.3 6.0 1.0 OD1 A:ASN77 2.3 10.1 1.0 OE1 A:GLN2 2.4 9.8 1.0 OD2 A:ASP41 2.4 7.2 1.0 OD1 A:ASP41 2.4 5.5 1.0 O A:VAL81 2.4 8.5 1.0 CG A:ASP41 2.8 7.4 1.0 CG A:ASN77 3.3 10.9 1.0 C A:ILE79 3.4 7.6 1.0 CD A:GLN2 3.4 9.8 1.0 C A:LEU75 3.5 6.2 1.0 C A:VAL81 3.6 8.4 1.0 N A:VAL81 3.7 8.4 1.0 ND2 A:ASN77 3.8 8.3 1.0 CG A:GLN2 3.8 9.5 1.0 N A:ASN77 4.0 10.5 1.0 C A:GLY80 4.1 8.9 1.0 N A:ILE79 4.2 10.3 1.0 CA A:VAL81 4.2 8.1 1.0 CB A:ASP41 4.3 7.7 1.0 N A:GLY80 4.3 7.1 1.0 CA A:GLY80 4.3 7.9 1.0 N A:LEU75 4.3 5.5 1.0 CA A:ILE79 4.4 9.2 1.0 CA A:LEU75 4.4 5.3 1.0 CG1 A:ILE79 4.4 11.0 1.0 N A:ASN76 4.5 7.6 1.0 CB A:ASN77 4.5 11.1 1.0 NE2 A:GLN2 4.6 9.9 1.0 CB A:GLN2 4.6 11.9 1.0 CA A:ASN77 4.6 11.0 1.0 N A:LEU82 4.6 8.5 1.0 C A:ASN77 4.7 11.8 1.0 CA A:ASN76 4.7 9.7 1.0 C A:ASN76 4.7 10.5 1.0 O A:ASN77 4.7 12.0 1.0 CB A:LEU75 4.7 3.8 1.0 C A:ALA74 4.8 6.1 1.0 O A:GLY80 4.8 10.3 1.0 CA A:LEU82 4.9 8.3 1.0 CB A:ALA74 5.0 6.0 1.0

Calcium binding site 2 out of 2 in the Subtilisin Mutant 8321


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Subtilisin Mutant 8321 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca297 b:4.3 occ:0.75 O A:HOH483 2.1 12.4 0.6 O A:GLU195 2.3 10.1 1.0 OD2 A:ASP197 2.4 9.7 1.0 O A:HOH340 2.4 12.6 0.7 OD1 A:ASP197 2.4 8.7 1.0 O A:HOH372 2.4 7.5 0.9 NA A:NA296 2.6 17.7 1.0 CG A:ASP197 2.7 7.2 1.0 O A:HOH491 3.2 14.4 0.5 C A:GLU195 3.3 9.3 1.0 O A:HOH353 3.3 10.6 0.6 CA A:GLU195 3.7 8.8 1.0 O A:VAL174 4.0 6.2 1.0 NH2 A:ARG247 4.0 12.4 1.0 CB A:ASP197 4.2 8.1 1.0 CB A:GLU195 4.3 7.4 1.0 N A:LEU196 4.4 8.7 1.0 N A:ASP197 4.5 7.3 1.0 C A:LEU196 4.5 7.8 1.0 O A:HOH303 4.6 11.4 0.7 CB A:ALA176 4.7 4.7 1.0 CA A:ASP197 4.8 6.3 1.0 O A:HOH490 4.8 12.2 0.3 N A:ALA176 4.8 5.2 1.0 O A:TYR171 4.8 11.7 1.0 O A:ALA169 4.8 8.2 1.0 O A:PRO172 4.8 9.6 1.0 CA A:PRO172 4.8 9.8 1.0 O A:LEU196 4.8 8.0 1.0 CA A:LEU196 4.9 8.6 1.0 O A:PRO194 5.0 9.0 1.0

M.W.Pantoliano, M.Whitlow, J.F.Wood, S.W.Dodd, K.D.Hardman, M.L.Rollence, P.N.Bryan. Large Increases in General Stability For Subtilisin Bpn' Through Incremental Changes in the Free Energy of Unfolding. Biochemistry V. 28 7205 1989.
ISSN: ISSN 0006-2960
PubMed: 2684274
DOI: 10.1021/BI00444A012