Calcium in PDB 7ug8: Crystal Structure of A Solute Receptor From Synechococcus CC9311 in Complex with Alpha-Ketovaleric and Calcium

The structure of Crystal Structure of A Solute Receptor From Synechococcus CC9311 in Complex with Alpha-Ketovaleric and Calcium, PDB code: 7ug8 was solved by B.S.Shah, H.Mikolajek, C.M.Orr, V.Mykhaylyk, R.J.Owens, I.T.Paulsen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.28 / 1.80
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	54.68, 54.75, 61.15, 69.65, 77.73, 67.27
R / Rfree (%)	16.9 / 19

The binding sites of Calcium atom in the Crystal Structure of A Solute Receptor From Synechococcus CC9311 in Complex with Alpha-Ketovaleric and Calcium (pdb code 7ug8). 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 A Solute Receptor From Synechococcus CC9311 in Complex with Alpha-Ketovaleric and Calcium, PDB code: 7ug8:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of A Solute Receptor From Synechococcus CC9311 in Complex with Alpha-Ketovaleric and Calcium


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 A Solute Receptor From Synechococcus CC9311 in Complex with Alpha-Ketovaleric and Calcium within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca403 b:35.7 occ:1.00 O A:PHE194 2.3 35.6 1.0 O08 A:69O401 2.3 38.6 1.0 OE1 A:GLU219 2.4 40.1 1.0 OE2 A:GLU193 2.4 39.6 1.0 OE1 A:GLN135 2.4 35.7 1.0 OE1 A:GLU193 2.5 36.8 1.0 O05 A:69O401 2.5 46.4 1.0 CD A:GLU193 2.8 39.3 1.0 C06 A:69O401 3.2 41.3 1.0 CD A:GLU219 3.2 40.8 1.0 C04 A:69O401 3.2 50.3 1.0 HE21 A:GLN135 3.2 36.4 1.0 CD A:GLN135 3.4 38.0 1.0 C A:PHE194 3.5 41.6 1.0 OE2 A:GLU219 3.5 48.5 1.0 HH12 A:ARG156 3.6 39.6 1.0 NE2 A:GLN135 3.7 35.7 1.0 HA A:PHE194 3.7 40.4 1.0 OH A:TYR78 3.7 43.5 1.0 HH A:TYR78 3.8 43.5 0.0 HE1 A:TRP218 3.9 34.6 1.0 HD2 A:PRO158 4.0 44.3 1.0 HA A:THR195 4.0 37.8 1.0 CA A:PHE194 4.1 39.6 1.0 HD1 A:TRP218 4.2 36.1 1.0 CG A:GLU193 4.3 40.0 1.0 NH1 A:ARG156 4.3 38.3 1.0 HG21 A:THR195 4.4 38.5 1.0 HH11 A:ARG156 4.4 39.6 1.0 O A:HOH560 4.4 40.8 1.0 O07 A:69O401 4.4 34.9 1.0 HG2 A:PRO158 4.4 46.2 1.0 HD3 A:PRO158 4.4 44.3 1.0 CG A:GLU219 4.4 38.0 1.0 HB2 A:GLU219 4.5 38.2 1.0 N A:THR195 4.5 37.1 1.0 NE1 A:TRP218 4.5 33.4 1.0 HE22 A:GLN135 4.6 36.4 1.0 N A:PHE194 4.6 41.1 1.0 CD A:PRO158 4.6 43.8 1.0 C03 A:69O401 4.6 49.5 1.0 HG3 A:GLU219 4.6 38.9 1.0 HG3 A:GLU193 4.6 40.1 1.0 H011 A:69O401 4.6 55.6 1.0 HB3 A:GLN135 4.7 36.2 1.0 HG2 A:GLU193 4.7 40.1 1.0 CD1 A:TRP218 4.7 37.5 1.0 CG A:GLN135 4.8 34.8 1.0 CA A:THR195 4.8 38.6 1.0 H021 A:69O401 4.8 51.3 1.0 C A:GLU193 4.8 42.5 1.0 HG23 A:THR195 4.8 38.6 1.0 O A:GLU193 4.8 37.9 1.0 HB2 A:GLU193 4.9 40.6 1.0 H032 A:69O401 4.9 49.6 1.0 CB A:GLU219 4.9 39.0 1.0 CG A:PRO158 4.9 47.5 1.0 O A:HOH556 4.9 36.6 1.0 HB3 A:GLU219 5.0 38.2 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of A Solute Receptor From Synechococcus CC9311 in Complex with Alpha-Ketovaleric and Calcium


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 A Solute Receptor From Synechococcus CC9311 in Complex with Alpha-Ketovaleric and Calcium within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca603 b:55.7 occ:1.00 O B:PHE194 2.2 46.6 1.0 OE1 B:GLN135 2.3 47.9 1.0 OE2 B:GLU219 2.4 47.1 1.0 O05 B:69O602 2.4 53.4 1.0 OE2 B:GLU193 2.5 50.1 1.0 O07 B:69O602 2.6 62.6 1.0 OE1 B:GLU193 2.8 52.8 1.0 CD B:GLU193 3.0 50.6 1.0 C04 B:69O602 3.2 66.7 1.0 CD B:GLU219 3.3 47.3 1.0 C06 B:69O602 3.3 68.5 1.0 CD B:GLN135 3.4 49.0 1.0 C B:PHE194 3.4 48.9 1.0 HE1 B:TRP218 3.5 48.6 1.0 OE1 B:GLU219 3.5 54.6 1.0 HE21 B:GLN135 3.5 45.7 1.0 HA B:THR195 3.6 46.2 1.0 O B:HOH732 3.9 45.5 1.0 NE2 B:GLN135 3.9 44.4 1.0 HG21 B:THR195 3.9 49.5 1.0 HA B:PHE194 4.0 49.9 1.0 HD1 B:TRP218 4.2 46.1 1.0 NE1 B:TRP218 4.2 51.2 1.0 CA B:PHE194 4.3 50.1 1.0 HB3 B:GLN135 4.3 44.8 1.0 N B:THR195 4.4 46.0 1.0 HB2 B:GLU219 4.4 39.4 1.0 CA B:THR195 4.4 44.5 1.0 O08 B:69O602 4.5 70.8 1.0 CG B:GLU219 4.5 41.8 1.0 HH22 B:ARG156 4.5 66.2 1.0 CG B:GLU193 4.5 50.1 1.0 HG23 B:THR195 4.5 49.5 1.0 HD2 B:PRO158 4.6 74.1 1.0 CD1 B:TRP218 4.6 47.0 1.0 CG2 B:THR195 4.6 50.3 1.0 CG B:GLN135 4.7 46.7 1.0 N B:PHE194 4.7 54.0 1.0 C03 B:69O602 4.7 65.3 1.0 HG3 B:GLU219 4.7 42.5 1.0 HE22 B:GLN135 4.8 45.7 1.0 HB2 B:GLN135 4.8 44.7 1.0 CB B:GLN135 4.8 46.2 1.0 CB B:GLU219 4.8 39.8 1.0 HG2 B:PRO158 4.9 76.3 1.0 H021 B:69O602 4.9 55.7 1.0 HB3 B:GLU219 4.9 39.4 1.0 HB2 B:GLU193 4.9 48.9 1.0 HG2 B:GLU193 4.9 49.6 1.0 H011 B:69O602 4.9 52.3 1.0 H B:PHE194 5.0 52.2 1.0 OH B:TYR78 5.0 39.5 1.0 H031 B:69O602 5.0 62.6 1.0

B.S.Shah, H.Mikolajek, C.M.Orr, V.Mykhaylyk, R.Owens, I.T.Paulsen. Crystal Structure of A Solute Receptor From Synechococcus CC9311 in Complex with Alpha-Ketovaleric and Calcium To Be Published.