Calcium in PDB 2sni: Structural Comparison of Two Serine Proteinase-Protein Inhibitor Complexes. Eglin-C-Subtilisin Carlsberg and Ci-2-Subtilisin Novo

All present enzymatic activity of Structural Comparison of Two Serine Proteinase-Protein Inhibitor Complexes. Eglin-C-Subtilisin Carlsberg and Ci-2-Subtilisin Novo:
3.4.21.14;

The structure of Structural Comparison of Two Serine Proteinase-Protein Inhibitor Complexes. Eglin-C-Subtilisin Carlsberg and Ci-2-Subtilisin Novo, PDB code: 2sni was solved by C.A.Mcphalen, M.N.G.James, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.10
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	103.190, 56.830, 68.740, 90.00, 127.47, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Calcium atom in the Structural Comparison of Two Serine Proteinase-Protein Inhibitor Complexes. Eglin-C-Subtilisin Carlsberg and Ci-2-Subtilisin Novo (pdb code 2sni). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Structural Comparison of Two Serine Proteinase-Protein Inhibitor Complexes. Eglin-C-Subtilisin Carlsberg and Ci-2-Subtilisin Novo, PDB code: 2sni:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Structural Comparison of Two Serine Proteinase-Protein Inhibitor Complexes. Eglin-C-Subtilisin Carlsberg and Ci-2-Subtilisin Novo


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structural Comparison of Two Serine Proteinase-Protein Inhibitor Complexes. Eglin-C-Subtilisin Carlsberg and Ci-2-Subtilisin Novo within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca276 b:10.0 occ:0.97 O E:VAL81 2.3 8.0 1.0 O E:LEU75 2.3 6.9 1.0 O E:ILE79 2.3 13.4 1.0 NE2 E:GLN2 2.4 7.7 1.0 ND2 E:ASN77 2.4 5.3 1.0 OD1 E:ASP41 2.4 12.3 1.0 OD2 E:ASP41 2.6 7.9 1.0 CG E:ASP41 2.8 8.5 1.0 CG E:ASN77 3.3 6.2 1.0 C E:LEU75 3.5 10.8 1.0 C E:ILE79 3.5 12.1 1.0 C E:VAL81 3.5 10.9 1.0 CD E:GLN2 3.5 12.5 1.0 OD1 E:ASN77 3.6 10.5 1.0 N E:VAL81 3.9 12.0 1.0 CG E:GLN2 4.0 11.2 1.0 N E:ASN77 4.0 14.1 1.0 C E:GLY80 4.1 11.2 1.0 CG1 E:ILE79 4.3 11.0 1.0 CA E:LEU75 4.3 10.1 1.0 CA E:VAL81 4.3 7.2 1.0 N E:GLY80 4.3 12.4 1.0 N E:ILE79 4.3 13.6 1.0 CB E:ASP41 4.4 8.2 1.0 N E:LEU75 4.4 9.7 1.0 CA E:GLY80 4.4 10.7 1.0 N E:ASN76 4.4 11.4 1.0 CA E:ILE79 4.5 12.0 1.0 N E:LEU82 4.5 9.4 1.0 OE1 E:GLN2 4.6 13.4 1.0 CB E:ASN77 4.6 10.5 1.0 CA E:ASN76 4.6 14.1 1.0 CB E:GLN2 4.6 13.2 1.0 CB E:LEU75 4.7 8.8 1.0 CA E:ASN77 4.7 12.1 1.0 C E:ASN77 4.7 12.7 1.0 O E:GLY80 4.7 11.1 1.0 C E:ASN76 4.8 13.7 1.0 O E:ASN77 4.8 13.5 1.0 CA E:LEU82 4.8 8.0 1.0 C E:ALA74 4.9 9.1 1.0

Calcium binding site 2 out of 2 in the Structural Comparison of Two Serine Proteinase-Protein Inhibitor Complexes. Eglin-C-Subtilisin Carlsberg and Ci-2-Subtilisin Novo


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structural Comparison of Two Serine Proteinase-Protein Inhibitor Complexes. Eglin-C-Subtilisin Carlsberg and Ci-2-Subtilisin Novo within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca277 b:28.1 occ:0.72 OD2 E:ASP197 2.8 9.6 1.0 O E:VAL174 2.8 4.7 1.0 O E:GLY169 2.8 5.3 1.0 O E:HOH391 2.9 20.8 1.0 O E:TYR171 3.0 9.1 1.0 O E:GLU195 3.0 13.1 1.0 C E:TYR171 3.7 7.7 1.0 CG E:ASP197 3.8 9.5 1.0 CB E:ALA176 3.8 3.9 1.0 C E:VAL174 4.0 3.5 1.0 OD1 E:ASP197 4.0 12.1 1.0 C E:GLY169 4.1 7.7 1.0 O E:LYS170 4.1 11.2 1.0 C E:GLU195 4.1 10.3 1.0 C E:LYS170 4.1 12.1 1.0 CA E:PRO172 4.2 8.2 1.0 N E:ALA176 4.2 4.3 1.0 N E:PRO172 4.2 8.3 1.0 CB E:GLU195 4.3 10.4 1.0 N E:TYR171 4.4 11.2 1.0 CA E:GLU195 4.4 9.5 1.0 NH1 E:ARG247 4.5 12.0 1.0 C E:PRO172 4.6 6.5 1.0 O E:PRO172 4.6 9.2 1.0 CA E:LYS170 4.6 9.1 1.0 CA E:ALA176 4.7 3.9 1.0 CA E:TYR171 4.7 9.9 1.0 CA E:VAL174 4.7 6.3 1.0 N E:VAL174 4.7 7.8 1.0 N E:LYS170 4.8 8.0 1.0 CB E:VAL174 4.8 8.1 1.0 N E:ILE175 4.9 3.1 1.0 C E:ILE175 5.0 4.2 1.0

C.A.Mcphalen, M.N.James. Structural Comparison of Two Serine Proteinase-Protein Inhibitor Complexes: Eglin-C-Subtilisin Carlsberg and Ci-2-Subtilisin Novo. Biochemistry V. 27 6582 1988.
ISSN: ISSN 0006-2960
PubMed: 3064813
DOI: 10.1021/BI00417A058