Calcium in PDB 2sic: Refined Crystal Structure of the Complex of Subtilisin Bpn' and Streptomyces Subtilisin Inhibitor at 1.8 Angstroms Resolution

All present enzymatic activity of Refined Crystal Structure of the Complex of Subtilisin Bpn' and Streptomyces Subtilisin Inhibitor at 1.8 Angstroms Resolution:
3.4.21.14;

The structure of Refined Crystal Structure of the Complex of Subtilisin Bpn' and Streptomyces Subtilisin Inhibitor at 1.8 Angstroms Resolution, PDB code: 2sic was solved by Y.Mitsui, Y.Takeuchi, S.Hirono, H.Akagawa, K.T.Nakamura, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	6.00 / 1.80
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	77.230, 185.900, 69.510, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Calcium atom in the Refined Crystal Structure of the Complex of Subtilisin Bpn' and Streptomyces Subtilisin Inhibitor at 1.8 Angstroms Resolution (pdb code 2sic). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Refined Crystal Structure of the Complex of Subtilisin Bpn' and Streptomyces Subtilisin Inhibitor at 1.8 Angstroms Resolution, PDB code: 2sic:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Refined Crystal Structure of the Complex of Subtilisin Bpn' and Streptomyces Subtilisin Inhibitor at 1.8 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Refined Crystal Structure of the Complex of Subtilisin Bpn' and Streptomyces Subtilisin Inhibitor at 1.8 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca501 b:7.3 occ:1.00 O E:VAL81 2.2 7.7 1.0 O E:LEU75 2.3 8.7 1.0 OD1 E:ASP41 2.3 5.0 1.0 OE1 E:GLN2 2.3 9.1 1.0 O E:ILE79 2.4 9.7 1.0 OD2 E:ASP41 2.4 6.2 1.0 OD1 E:ASN77 2.5 8.1 1.0 CG E:ASP41 2.8 6.7 1.0 CD E:GLN2 3.4 9.1 1.0 C E:VAL81 3.4 8.9 1.0 C E:LEU75 3.5 8.2 1.0 CG E:ASN77 3.5 6.6 1.0 C E:ILE79 3.7 10.7 1.0 N E:VAL81 3.7 9.7 1.0 CG E:GLN2 3.9 8.9 1.0 ND2 E:ASN77 4.1 5.7 1.0 N E:ASN77 4.1 8.7 1.0 C E:GLY80 4.2 9.9 1.0 CA E:VAL81 4.2 8.8 1.0 CB E:ASP41 4.3 7.4 1.0 N E:LEU75 4.3 7.8 1.0 CA E:LEU75 4.3 7.8 1.0 CA E:GLY80 4.4 9.9 1.0 N E:ILE79 4.4 9.7 1.0 N E:LEU82 4.4 8.3 1.0 N E:GLY80 4.4 10.2 1.0 N E:ASN76 4.5 7.6 1.0 NE2 E:GLN2 4.5 8.5 1.0 CB E:GLN2 4.6 10.9 1.0 CA E:ILE79 4.6 10.7 1.0 CG1 E:ILE79 4.7 10.9 1.0 CA E:ASN76 4.7 8.8 1.0 CB E:LEU75 4.7 8.2 1.0 CB E:ASN77 4.7 6.8 1.0 CA E:LEU82 4.7 9.8 1.0 C E:ALA74 4.7 7.9 1.0 CA E:ASN77 4.8 7.7 1.0 C E:ASN76 4.8 8.9 1.0 C E:ASN77 4.8 8.8 1.0 O E:GLY80 4.9 9.1 1.0 O E:ALA74 5.0 9.1 1.0 O E:ASN77 5.0 8.5 1.0

Calcium binding site 2 out of 2 in the Refined Crystal Structure of the Complex of Subtilisin Bpn' and Streptomyces Subtilisin Inhibitor at 1.8 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Refined Crystal Structure of the Complex of Subtilisin Bpn' and Streptomyces Subtilisin Inhibitor at 1.8 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca502 b:22.4 occ:1.00 O E:HOH725 1.9 13.2 1.0 O E:GLY169 2.9 15.1 1.0 O E:VAL174 2.9 14.0 1.0 O E:HOH726 3.0 23.0 1.0 OD2 E:ASP197 3.0 15.2 1.0 O E:GLU195 3.1 16.9 1.0 O E:TYR171 3.2 15.6 1.0 CB E:ALA176 3.8 10.9 1.0 C E:TYR171 3.9 15.6 1.0 CG E:ASP197 3.9 14.2 1.0 OD1 E:ASP197 4.0 14.3 1.0 O E:LYS170 4.0 17.7 1.0 C E:VAL174 4.1 13.4 1.0 C E:GLY169 4.1 15.5 1.0 C E:GLU195 4.2 16.8 1.0 C E:LYS170 4.2 16.9 1.0 N E:ALA176 4.2 11.8 1.0 CA E:PRO172 4.2 16.2 1.0 N E:PRO172 4.4 16.6 1.0 CB E:GLU195 4.4 18.6 1.0 O E:PRO172 4.4 15.8 1.0 N E:TYR171 4.5 16.3 1.0 C E:PRO172 4.6 16.1 1.0 CA E:GLU195 4.6 17.8 1.0 CA E:ALA176 4.6 11.2 1.0 CA E:LYS170 4.7 16.9 1.0 N E:VAL174 4.7 14.2 1.0 NH2 E:ARG247 4.8 11.2 1.0 CA E:VAL174 4.8 13.2 1.0 N E:LYS170 4.8 15.9 1.0 CB E:VAL174 4.8 13.0 1.0 CA E:TYR171 4.8 15.7 1.0 C E:ILE175 4.9 12.9 1.0

Y.Takeuchi, Y.Satow, K.T.Nakamura, Y.Mitsui. Refined Crystal Structure of the Complex of Subtilisin Bpn' and Streptomyces Subtilisin Inhibitor at 1.8 A Resolution. J.Mol.Biol. V. 221 309 1991.
ISSN: ISSN 0022-2836
PubMed: 1920411