Calcium in PDB 1qmp: Phosphorylated Aspartate in the Crystal Structure of the Sporulation Response Regulator, SPO0A

The structure of Phosphorylated Aspartate in the Crystal Structure of the Sporulation Response Regulator, SPO0A, PDB code: 1qmp was solved by R.J.Lewis, J.A.Brannigan, K.Muchova, I.Barak, A.J.Wilkinson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	69.197, 72.859, 114.297, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 25.3

The binding sites of Calcium atom in the Phosphorylated Aspartate in the Crystal Structure of the Sporulation Response Regulator, SPO0A (pdb code 1qmp). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Phosphorylated Aspartate in the Crystal Structure of the Sporulation Response Regulator, SPO0A, PDB code: 1qmp:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Phosphorylated Aspartate in the Crystal Structure of the Sporulation Response Regulator, SPO0A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Phosphorylated Aspartate in the Crystal Structure of the Sporulation Response Regulator, SPO0A within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:15.4 occ:1.00 OP2 A:PHD55 2.4 9.9 1.0 O A:ILE57 2.5 12.4 1.0 O A:HOH404 2.6 11.8 1.0 OD1 A:ASP10 2.6 12.2 1.0 O A:HOH413 2.6 13.8 1.0 OD2 A:PHD55 2.6 13.0 1.0 CG A:PHD55 3.5 13.6 1.0 P A:PHD55 3.6 12.5 1.0 CG A:ASP10 3.6 19.8 1.0 C A:ILE57 3.6 15.6 1.0 OD2 A:ASP10 3.8 17.9 1.0 OD1 A:PHD55 3.8 12.2 1.0 CB A:ILE57 4.1 11.0 1.0 CA A:ILE57 4.3 11.9 1.0 OD1 A:ASP9 4.3 14.8 1.0 OP1 A:PHD55 4.4 12.3 1.0 CG2 A:ILE57 4.5 12.6 1.0 N A:ILE57 4.6 11.8 1.0 OP3 A:PHD55 4.6 11.8 1.0 N A:MET58 4.7 14.3 1.0 N A:ASP10 4.7 14.4 1.0 NZ A:LYS106 4.8 11.6 1.0 CG A:MET58 4.8 15.7 1.0 CA A:MET58 4.9 17.3 1.0 CB A:ASP10 4.9 15.1 1.0 CG A:ASP9 4.9 16.6 1.0 CB A:PHD55 5.0 12.1 1.0

Calcium binding site 2 out of 4 in the Phosphorylated Aspartate in the Crystal Structure of the Sporulation Response Regulator, SPO0A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Phosphorylated Aspartate in the Crystal Structure of the Sporulation Response Regulator, SPO0A within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca301 b:16.4 occ:1.00 OP2 B:PHD55 2.4 10.2 1.0 O B:ILE57 2.5 12.3 1.0 OD1 B:ASP10 2.6 15.9 1.0 O B:HOH403 2.6 16.9 1.0 OD2 B:PHD55 2.6 16.8 1.0 O B:HOH419 2.6 16.1 1.0 CG B:PHD55 3.5 14.2 1.0 P B:PHD55 3.6 14.5 1.0 CG B:ASP10 3.6 20.6 1.0 C B:ILE57 3.7 15.4 1.0 OD2 B:ASP10 3.8 15.7 1.0 OD1 B:PHD55 3.8 13.9 1.0 CB B:ILE57 4.2 14.9 1.0 OD1 B:ASP9 4.2 15.3 1.0 CA B:ILE57 4.3 11.6 1.0 OP1 B:PHD55 4.4 13.0 1.0 N B:ILE57 4.5 11.8 1.0 CG2 B:ILE57 4.6 13.6 1.0 OP3 B:PHD55 4.6 13.2 1.0 N B:ASP10 4.7 15.0 1.0 N B:MET58 4.7 13.7 1.0 CG B:MET58 4.8 20.0 1.0 CB B:ASP10 4.9 17.0 1.0 CB B:PHD55 4.9 12.6 1.0 CG B:ASP9 4.9 20.8 1.0 CA B:MET58 4.9 17.5 1.0

Calcium binding site 3 out of 4 in the Phosphorylated Aspartate in the Crystal Structure of the Sporulation Response Regulator, SPO0A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Phosphorylated Aspartate in the Crystal Structure of the Sporulation Response Regulator, SPO0A within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca301 b:14.4 occ:1.00 OP2 C:PHD55 2.4 13.9 1.0 O C:ILE57 2.5 12.5 1.0 OD1 C:ASP10 2.5 13.6 1.0 OD2 C:PHD55 2.6 10.6 1.0 CG C:PHD55 3.5 13.7 1.0 CG C:ASP10 3.5 21.5 1.0 P C:PHD55 3.5 15.0 1.0 C C:ILE57 3.7 15.6 1.0 OD2 C:ASP10 3.8 16.5 1.0 OD1 C:PHD55 3.9 14.9 1.0 CB C:ILE57 4.1 13.9 1.0 CA C:ILE57 4.3 12.0 1.0 OD1 C:ASP9 4.3 19.5 1.0 OP1 C:PHD55 4.4 14.5 1.0 CG2 C:ILE57 4.5 13.2 1.0 N C:ILE57 4.5 11.5 1.0 OP3 C:PHD55 4.6 12.8 1.0 N C:MET58 4.7 13.2 1.0 N C:ASP10 4.7 15.8 1.0 CG C:MET58 4.8 21.8 1.0 CB C:ASP10 4.8 19.3 1.0 CA C:MET58 4.8 18.0 1.0 CB C:PHD55 5.0 13.1 1.0

Calcium binding site 4 out of 4 in the Phosphorylated Aspartate in the Crystal Structure of the Sporulation Response Regulator, SPO0A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Phosphorylated Aspartate in the Crystal Structure of the Sporulation Response Regulator, SPO0A within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca301 b:16.6 occ:1.00 OP2 D:PHD55 2.4 12.8 1.0 O D:ILE57 2.5 12.7 1.0 OD1 D:ASP10 2.6 13.8 1.0 O D:HOH402 2.6 14.1 1.0 OD2 D:PHD55 2.6 13.2 1.0 O D:HOH412 2.6 16.3 1.0 CG D:PHD55 3.5 13.3 1.0 CG D:ASP10 3.5 21.3 1.0 P D:PHD55 3.6 14.2 1.0 C D:ILE57 3.7 15.9 1.0 OD2 D:ASP10 3.7 17.6 1.0 OD1 D:PHD55 3.8 15.1 1.0 CB D:ILE57 4.1 12.3 1.0 OD1 D:ASP9 4.3 16.1 1.0 CA D:ILE57 4.3 11.7 1.0 CG2 D:ILE57 4.4 12.1 1.0 OP1 D:PHD55 4.4 14.5 1.0 N D:ILE57 4.6 11.6 1.0 OP3 D:PHD55 4.6 12.3 1.0 N D:ASP10 4.7 15.1 1.0 N D:MET58 4.7 14.1 1.0 CB D:ASP10 4.8 15.7 1.0 NZ D:LYS106 4.8 13.3 1.0 CG D:MET58 4.8 18.4 1.0 CA D:MET58 4.9 17.9 1.0 CB D:PHD55 5.0 9.1 1.0 CG D:ASP9 5.0 19.2 1.0

R.J.Lewis, J.A.Brannigan, K.Muchova, I.Barak, A.J.Wilkinson. Phosphorylated Aspartate in the Structure of A Response Regulator Protein. J. Mol. Biol. V. 294 9 1999.
ISSN: ISSN 0022-2836
PubMed: 10556024
DOI: 10.1006/JMBI.1999.3261