Calcium in PDB 1au9: Subtilisin Bpn' Mutant 8324 in Citrate

All present enzymatic activity of Subtilisin Bpn' Mutant 8324 in Citrate:
3.4.21.62;

The structure of Subtilisin Bpn' Mutant 8324 in Citrate, PDB code: 1au9 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 binding sites of Calcium atom in the Subtilisin Bpn' Mutant 8324 in Citrate (pdb code 1au9). 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 Bpn' Mutant 8324 in Citrate, PDB code: 1au9:
Jump to Calcium binding site number: 1; 2;

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


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Subtilisin Bpn' Mutant 8324 in Citrate within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca295 b:6.5 occ:1.00 O A:ILE79 2.3 6.5 1.0 OD1 A:ASP41 2.3 7.1 1.0 O A:VAL81 2.3 5.3 1.0 O A:LEU75 2.3 5.6 1.0 OE1 A:GLN2 2.4 8.0 1.0 OD1 A:ASN77 2.4 8.8 1.0 OD2 A:ASP41 2.5 5.9 1.0 CG A:ASP41 2.8 5.1 1.0 CG A:ASN77 3.4 8.2 1.0 CD A:GLN2 3.4 7.5 1.0 C A:ILE79 3.5 7.9 1.0 C A:LEU75 3.5 5.9 1.0 C A:VAL81 3.5 4.5 1.0 N A:VAL81 3.7 5.3 1.0 ND2 A:ASN77 3.9 7.8 1.0 CG A:GLN2 3.9 8.4 1.0 N A:ASN77 4.0 9.3 1.0 C A:GLY80 4.2 5.8 1.0 CA A:VAL81 4.2 4.5 1.0 CB A:ASP41 4.3 4.5 1.0 CA A:LEU75 4.3 5.5 1.0 N A:LEU75 4.3 5.2 1.0 N A:GLY80 4.3 7.5 1.0 CA A:GLY80 4.4 6.3 1.0 N A:ILE79 4.4 8.8 1.0 N A:ASN76 4.5 7.0 1.0 CG1 A:ILE79 4.5 7.7 1.0 CA A:ILE79 4.5 8.2 1.0 CB A:ASN77 4.6 9.3 1.0 NE2 A:GLN2 4.6 10.8 1.0 N A:LEU82 4.6 4.0 1.0 CB A:GLN2 4.7 9.5 1.0 CA A:ASN76 4.7 8.6 1.0 O A:ASN77 4.7 10.2 1.0 CA A:ASN77 4.7 9.4 1.0 C A:ALA74 4.7 5.2 1.0 C A:ASN77 4.7 10.1 1.0 CB A:LEU75 4.8 6.5 1.0 CA A:LEU82 4.8 3.5 1.0 C A:ASN76 4.8 9.7 1.0 O A:GLY80 4.9 6.1 1.0

Calcium binding site 2 out of 2 in the Subtilisin Bpn' Mutant 8324 in Citrate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Subtilisin Bpn' Mutant 8324 in Citrate within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca296 b:2.5 occ:0.70 O A:HOH340 2.5 7.7 0.2 O A:VAL174 2.6 3.7 1.0 O A:ALA169 2.7 4.5 1.0 O A:TYR171 2.9 5.8 1.0 OD2 A:ASP197 2.9 5.3 1.0 O A:HOH372 2.9 13.7 0.6 O A:HOH300 3.0 15.3 1.0 O A:GLU195 3.1 6.3 1.0 CB A:ALA176 3.7 3.7 1.0 C A:VAL174 3.8 4.2 1.0 C A:TYR171 3.8 6.2 1.0 CG A:ASP197 3.9 7.8 1.0 C A:ALA169 3.9 5.4 1.0 N A:ALA176 4.0 3.6 1.0 OD1 A:ASP197 4.2 10.0 1.0 C A:LYS170 4.2 7.0 1.0 C A:GLU195 4.2 5.3 1.0 O A:LYS170 4.3 7.9 1.0 CB A:GLU195 4.3 5.8 1.0 CA A:PRO172 4.4 6.1 1.0 N A:TYR171 4.4 6.0 1.0 NH2 A:ARG247 4.5 6.2 1.0 O A:PRO172 4.5 6.8 1.0 N A:PRO172 4.5 6.0 1.0 CA A:ALA176 4.5 3.9 1.0 CA A:VAL174 4.6 4.7 1.0 C A:PRO172 4.6 5.7 1.0 N A:VAL174 4.6 5.0 1.0 CA A:GLU195 4.6 5.7 1.0 C A:ILE175 4.6 4.0 1.0 CA A:LYS170 4.6 6.7 1.0 N A:LYS170 4.7 5.6 1.0 CA A:ILE175 4.7 3.6 1.0 N A:ILE175 4.7 3.5 1.0 CB A:VAL174 4.8 3.6 1.0 CA A:TYR171 4.8 6.2 1.0 O A:HOH483 4.8 15.0 0.4 CA A:ALA169 4.9 5.3 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