Calcium in PDB 1yu6: Crystal Structure of the Subtilisin Carlsberg:OMTKY3 Complex

All present enzymatic activity of Crystal Structure of the Subtilisin Carlsberg:OMTKY3 Complex:
3.4.21.62;

The structure of Crystal Structure of the Subtilisin Carlsberg:OMTKY3 Complex, PDB code: 1yu6 was solved by J.T.Maynes, M.M.Cherney, M.A.Qasim, M.Laskowski Jr., M.N.G.James, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	74.54 / 1.55
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	110.256, 100.971, 115.785, 90.00, 90.00, 90.00
R / Rfree (%)	19.1 / 20.5

The binding sites of Calcium atom in the Crystal Structure of the Subtilisin Carlsberg:OMTKY3 Complex (pdb code 1yu6). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of the Subtilisin Carlsberg:OMTKY3 Complex, PDB code: 1yu6:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of the Subtilisin Carlsberg:OMTKY3 Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of the Subtilisin Carlsberg:OMTKY3 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:7.5 occ:1.00 O A:LEU75 2.3 7.8 1.0 O A:VAL81 2.3 7.7 1.0 O A:THR79 2.4 8.8 1.0 OD1 A:ASN77 2.4 9.1 1.0 OE1 A:GLN2 2.4 8.8 1.0 OD1 A:ASP41 2.5 7.5 1.0 OD2 A:ASP41 2.6 7.8 1.0 CG A:ASP41 2.9 9.0 1.0 CG A:ASN77 3.4 9.2 1.0 C A:LEU75 3.5 8.3 1.0 CD A:GLN2 3.5 9.5 1.0 C A:VAL81 3.5 7.9 1.0 C A:THR79 3.6 9.8 1.0 N A:VAL81 3.7 8.4 1.0 ND2 A:ASN77 3.9 9.0 1.0 CG A:GLN2 3.9 10.5 1.0 N A:ASN77 4.0 9.4 1.0 C A:GLY80 4.1 8.3 1.0 CA A:VAL81 4.2 8.1 1.0 N A:LEU75 4.3 7.8 1.0 CA A:GLY80 4.4 8.6 1.0 CA A:LEU75 4.4 8.1 1.0 CB A:ASP41 4.4 8.3 1.0 N A:THR79 4.4 10.5 1.0 N A:ASP76 4.4 8.8 1.0 N A:GLY80 4.4 9.5 1.0 O A:ASN77 4.5 9.6 1.0 N A:LEU82 4.5 8.2 1.0 CA A:ASP76 4.6 9.4 1.0 CA A:THR79 4.6 10.7 1.0 CB A:ASN77 4.6 9.5 1.0 CA A:ASN77 4.6 9.3 1.0 CB A:GLN2 4.6 11.4 1.0 NE2 A:GLN2 4.7 9.3 1.0 C A:ASN77 4.7 9.7 1.0 CG2 A:THR79 4.7 11.9 1.0 C A:ASP76 4.7 9.4 1.0 CB A:LEU75 4.8 8.4 1.0 C A:ALA74 4.8 8.0 1.0 CA A:LEU82 4.8 8.2 1.0 O A:GLY80 4.8 8.4 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of the Subtilisin Carlsberg:OMTKY3 Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of the Subtilisin Carlsberg:OMTKY3 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca402 b:2.0 occ:1.00 O B:LEU75 2.3 9.6 1.0 OD1 B:ASN77 2.3 10.1 1.0 O B:THR79 2.3 12.4 1.0 OE1 B:GLN2 2.4 12.3 1.0 O B:VAL81 2.4 9.6 1.0 OD1 B:ASP41 2.5 12.1 1.0 OD2 B:ASP41 2.6 9.6 1.0 CG B:ASP41 2.9 11.0 1.0 CG B:ASN77 3.3 11.3 1.0 C B:LEU75 3.5 9.8 1.0 CD B:GLN2 3.5 11.5 1.0 C B:THR79 3.5 12.7 1.0 C B:VAL81 3.6 9.7 1.0 ND2 B:ASN77 3.8 12.8 1.0 N B:VAL81 3.8 9.8 1.0 N B:ASN77 4.0 11.9 1.0 CG B:GLN2 4.0 12.6 1.0 C B:GLY80 4.2 10.6 1.0 N B:LEU75 4.3 8.6 1.0 CA B:VAL81 4.3 9.4 1.0 CA B:LEU75 4.4 9.1 1.0 N B:THR79 4.4 13.6 1.0 N B:ASP76 4.4 10.3 1.0 CA B:GLY80 4.4 10.9 1.0 N B:GLY80 4.4 11.4 1.0 CB B:ASP41 4.4 11.3 1.0 CG2 B:THR79 4.5 15.8 1.0 CA B:THR79 4.5 13.8 1.0 CB B:ASN77 4.5 12.0 1.0 CA B:ASP76 4.6 10.8 1.0 CA B:ASN77 4.6 11.9 1.0 NE2 B:GLN2 4.6 12.9 1.0 N B:LEU82 4.6 9.5 1.0 O B:ASN77 4.7 12.1 1.0 C B:ASN77 4.7 12.6 1.0 C B:ASP76 4.7 11.4 1.0 CB B:LEU75 4.7 9.1 1.0 CB B:GLN2 4.7 13.0 1.0 C B:ALA74 4.8 8.6 1.0 O B:GLY80 4.8 10.8 1.0 CA B:LEU82 4.9 9.7 1.0

J.T.Maynes, M.M.Cherney, M.A.Qasim, M.Laskowski Jr, M.N.James. Structure of the Subtilisin Carlsberg-OMTKY3 Complex Reveals Two Different Ovomucoid Conformations. Acta Crystallogr.,Sect.D V. 61 580 2005.
ISSN: ISSN 0907-4449
PubMed: 15858268
DOI: 10.1107/S0907444905004889