Calcium in PDB 1sbh: Subtilisin Bpn' 8397+1 (E.C. 3.4.21.14) Mutant (M50F, N76D, G169A, Q206C, N218S, K256Y)

All present enzymatic activity of Subtilisin Bpn' 8397+1 (E.C. 3.4.21.14) Mutant (M50F, N76D, G169A, Q206C, N218S, K256Y):
3.4.21.62;

The structure of Subtilisin Bpn' 8397+1 (E.C. 3.4.21.14) Mutant (M50F, N76D, G169A, Q206C, N218S, K256Y), PDB code: 1sbh was solved by R.D.Kidd, G.K.Farber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	17.00 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	41.560, 79.530, 37.250, 90.00, 114.48, 90.00
R / Rfree (%)	18.5 / 19.2

The binding sites of Calcium atom in the Subtilisin Bpn' 8397+1 (E.C. 3.4.21.14) Mutant (M50F, N76D, G169A, Q206C, N218S, K256Y) (pdb code 1sbh). 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' 8397+1 (E.C. 3.4.21.14) Mutant (M50F, N76D, G169A, Q206C, N218S, K256Y), PDB code: 1sbh:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Subtilisin Bpn' 8397+1 (E.C. 3.4.21.14) Mutant (M50F, N76D, G169A, Q206C, N218S, K256Y)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Subtilisin Bpn' 8397+1 (E.C. 3.4.21.14) Mutant (M50F, N76D, G169A, Q206C, N218S, K256Y) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca290 b:20.6 occ:1.00 O A:VAL81 2.3 18.4 1.0 O A:LEU75 2.3 19.8 1.0 OD1 A:ASP41 2.4 15.4 1.0 OD1 A:ASN77 2.5 20.1 1.0 O A:ILE79 2.6 25.3 1.0 OE1 A:GLN2 2.8 27.1 1.0 OD2 A:ASP41 2.9 19.3 1.0 CG A:ASP41 3.0 23.6 1.0 CG A:ASN77 3.5 25.2 1.0 C A:VAL81 3.5 17.3 1.0 C A:LEU75 3.6 20.4 1.0 C A:ILE79 3.8 26.0 1.0 CD A:GLN2 3.8 27.6 1.0 N A:VAL81 3.8 16.8 1.0 N A:ASN77 4.0 25.0 1.0 ND2 A:ASN77 4.0 20.6 1.0 C A:GLY80 4.2 19.8 1.0 CA A:VAL81 4.2 18.1 1.0 CG A:GLN2 4.3 27.5 1.0 CA A:LEU75 4.4 22.6 1.0 CB A:ASP41 4.5 18.9 1.0 N A:ASP76 4.5 22.3 1.0 N A:LEU82 4.5 19.3 1.0 N A:LEU75 4.5 20.0 1.0 N A:ILE79 4.5 22.7 1.0 CA A:ASP76 4.6 24.1 1.0 CA A:GLY80 4.6 21.1 1.0 N A:GLY80 4.6 23.0 1.0 CB A:ASN77 4.6 23.7 1.0 CA A:ASN77 4.6 22.4 1.0 C A:ASP76 4.7 25.6 1.0 CA A:ILE79 4.7 27.0 1.0 CG1 A:ILE79 4.7 27.1 1.0 CA A:LEU82 4.7 18.5 1.0 O A:GLY80 4.7 16.4 1.0 C A:ALA74 4.8 19.6 1.0 C A:ASN77 4.8 22.6 1.0 CB A:LEU75 4.9 22.2 1.0 CB A:GLN2 4.9 27.5 1.0 NE2 A:GLN2 5.0 30.6 1.0 O A:ALA74 5.0 20.9 1.0

Calcium binding site 2 out of 2 in the Subtilisin Bpn' 8397+1 (E.C. 3.4.21.14) Mutant (M50F, N76D, G169A, Q206C, N218S, K256Y)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Subtilisin Bpn' 8397+1 (E.C. 3.4.21.14) Mutant (M50F, N76D, G169A, Q206C, N218S, K256Y) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca291 b:38.8 occ:1.00 O A:HOH358 2.2 30.4 1.0 O A:VAL174 2.3 15.1 1.0 O A:TYR171 2.3 19.6 1.0 O A:ALA169 2.4 13.6 1.0 C A:TYR171 3.3 18.3 1.0 C A:VAL174 3.4 14.3 1.0 C A:ALA169 3.6 12.6 1.0 C A:LYS170 3.9 14.8 1.0 N A:VAL174 4.0 18.2 1.0 N A:TYR171 4.0 16.9 1.0 O A:LYS170 4.0 14.9 1.0 OD2 A:ASP197 4.0 19.9 1.0 CA A:VAL174 4.1 15.1 1.0 N A:PRO172 4.1 15.2 1.0 CB A:VAL174 4.1 16.3 1.0 O A:GLU195 4.2 20.2 1.0 N A:ALA176 4.2 14.8 1.0 CA A:PRO172 4.2 14.0 1.0 C A:PRO172 4.2 14.9 1.0 CB A:ALA176 4.3 11.8 1.0 CA A:TYR171 4.3 17.9 1.0 N A:LYS170 4.4 15.6 1.0 CA A:LYS170 4.4 15.7 1.0 O A:PRO172 4.4 19.5 1.0 N A:ILE175 4.4 14.8 1.0 CA A:ALA169 4.6 11.6 1.0 C A:ILE175 4.6 15.3 1.0 NH2 A:ARG247 4.7 19.0 1.0 N A:SER173 4.7 15.7 1.0 CA A:ILE175 4.7 13.9 1.0 CA A:ALA176 4.8 14.6 1.0 CB A:GLU195 4.9 19.1 1.0 O A:PRO168 4.9 17.9 1.0 C A:SER173 5.0 17.2 1.0

R.D.Kidd, H.P.Yennawar, P.Sears, C.H.Wong, G.K.Farber. A Weak Calcium Binding Site in Subtilisin Bpn' Has A Dramatic Effect on Protein Stability. J.Am.Chem.Soc. V. 118 1645 1996.
ISSN: ISSN 0002-7863