Calcium in PDB 1mee: The Complex Between the Subtilisin From A Mesophilic Bacterium and the Leech Inhibitor Eglin-C

All present enzymatic activity of The Complex Between the Subtilisin From A Mesophilic Bacterium and the Leech Inhibitor Eglin-C:
3.4.21.14;

The structure of The Complex Between the Subtilisin From A Mesophilic Bacterium and the Leech Inhibitor Eglin-C, PDB code: 1mee was solved by Z.Dauter, C.Betzel, K.S.Wilson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	N/A / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.980, 71.850, 48.340, 90.00, 110.00, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Calcium atom in the The Complex Between the Subtilisin From A Mesophilic Bacterium and the Leech Inhibitor Eglin-C (pdb code 1mee). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the The Complex Between the Subtilisin From A Mesophilic Bacterium and the Leech Inhibitor Eglin-C, PDB code: 1mee:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the The Complex Between the Subtilisin From A Mesophilic Bacterium and the Leech Inhibitor Eglin-C


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Complex Between the Subtilisin From A Mesophilic Bacterium and the Leech Inhibitor Eglin-C within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca400 b:9.4 occ:1.00 OD1 A:ASN77 2.2 9.9 1.0 OE1 A:GLN2 2.2 15.0 1.0 O A:ILE79 2.3 27.0 1.0 O A:VAL81 2.3 10.2 1.0 O A:LEU75 2.5 11.5 1.0 OD1 A:ASP41 2.7 14.3 1.0 OD2 A:ASP41 2.8 9.1 1.0 CG A:ASP41 3.1 2.5 1.0 CD A:GLN2 3.2 16.3 1.0 CG A:ASN77 3.3 5.9 1.0 C A:VAL81 3.5 15.7 1.0 C A:ILE79 3.5 42.8 1.0 C A:LEU75 3.6 31.0 1.0 CG A:GLN2 3.6 12.2 1.0 N A:VAL81 3.8 10.6 1.0 N A:ASN77 3.8 14.0 1.0 ND2 A:ASN77 3.9 10.1 1.0 C A:GLY80 4.1 13.9 1.0 CA A:VAL81 4.3 6.5 1.0 CB A:GLN2 4.3 14.4 1.0 N A:GLY80 4.3 17.1 1.0 CA A:GLY80 4.4 17.4 1.0 NE2 A:GLN2 4.4 11.8 1.0 CA A:LEU75 4.4 21.6 1.0 N A:LEU75 4.4 11.6 1.0 N A:ILE79 4.4 12.7 1.0 CB A:ASN77 4.5 16.5 1.0 N A:ASN76 4.5 10.3 1.0 CA A:ASN77 4.5 20.7 1.0 CA A:ILE79 4.5 26.1 1.0 N A:LEU82 4.6 16.6 1.0 C A:ASN76 4.6 20.7 1.0 CG1 A:ILE79 4.6 11.5 1.0 CA A:ASN76 4.6 9.1 1.0 CB A:ASP41 4.6 3.0 1.0 C A:ASN77 4.7 10.8 1.0 O A:GLY80 4.7 13.9 1.0 C A:ALA74 4.7 5.8 1.0 CB A:LEU75 4.8 18.7 1.0 CA A:LEU82 4.9 9.5 1.0 O A:ASN77 4.9 12.0 1.0 O A:ALA74 5.0 9.1 1.0

Calcium binding site 2 out of 2 in the The Complex Between the Subtilisin From A Mesophilic Bacterium and the Leech Inhibitor Eglin-C


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The Complex Between the Subtilisin From A Mesophilic Bacterium and the Leech Inhibitor Eglin-C within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:26.2 occ:1.00 O A:HOH458 2.3 13.0 1.0 O A:TYR171 2.4 9.8 1.0 O A:THR174 2.4 7.3 1.0 O A:ALA169 2.5 7.1 1.0 OG1 A:THR174 2.8 14.6 1.0 C A:THR174 3.2 3.5 1.0 C A:TYR171 3.4 11.0 1.0 C A:ALA169 3.5 7.1 1.0 O A:HOH560 3.8 40.5 1.0 OD2 A:ASP197 3.8 11.0 1.0 CA A:THR174 3.8 7.7 1.0 N A:THR174 3.8 12.1 1.0 CB A:THR174 3.9 10.8 1.0 N A:ALA176 3.9 12.9 1.0 C A:LYS170 4.0 8.8 1.0 CB A:ALA176 4.1 5.5 1.0 N A:TYR171 4.1 14.4 1.0 N A:PRO172 4.1 9.3 1.0 CA A:PRO172 4.1 10.3 1.0 O A:LYS170 4.1 11.2 1.0 C A:PRO172 4.2 4.1 1.0 O A:PRO172 4.2 15.2 1.0 N A:ILE175 4.2 5.2 1.0 CA A:TYR171 4.3 24.0 1.0 O A:GLU195 4.3 10.6 1.0 CA A:ALA169 4.4 10.9 1.0 C A:ILE175 4.4 14.3 1.0 N A:LYS170 4.4 7.2 1.0 CA A:ALA176 4.5 5.3 1.0 CA A:LYS170 4.5 16.1 1.0 CA A:ILE175 4.6 8.5 1.0 O A:PRO168 4.6 6.0 1.0 NH2 A:ARG247 4.8 8.9 1.0 N A:SER173 4.8 4.8 1.0 C A:SER173 4.8 35.4 1.0 CG A:ASP197 4.9 6.5 1.0

Z.Dauter, C.Betzel, N.Genov, N.Pipon, K.S.Wilson. Complex Between the Subtilisin From A Mesophilic Bacterium and the Leech Inhibitor Eglin-C. Acta Crystallogr.,Sect.B V. 47 707 1991.
ISSN: ISSN 0108-7681
PubMed: 1793542
DOI: 10.1107/S0108768191004202