Calcium in PDB 4tv5: Crystal Structure of Citrate Synthase Sbng

The structure of Crystal Structure of Citrate Synthase Sbng, PDB code: 4tv5 was solved by M.J.Kobylarz, J.C.Grigg, M.E.P.Murphy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	76.72 / 1.85
Space group	P 3 1 2
Cell size a, b, c (Å), α, β, γ (°)	74.290, 74.290, 76.720, 90.00, 90.00, 120.00
R / Rfree (%)	19.7 / 21.1

The binding sites of Calcium atom in the Crystal Structure of Citrate Synthase Sbng (pdb code 4tv5). 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 Citrate Synthase Sbng, PDB code: 4tv5:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Citrate Synthase Sbng


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 Citrate Synthase Sbng within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:24.2 occ:1.00 OD2 A:ASP177 2.2 28.9 1.0 O A:HOH437 2.3 21.8 1.0 OE1 A:GLU151 2.4 22.6 1.0 O A:HOH417 2.5 10.7 1.0 O A:HOH447 2.5 17.7 1.0 O A:HOH533 3.3 34.8 1.0 CG A:ASP177 3.4 24.7 1.0 CD A:GLU151 3.4 21.1 1.0 OE2 A:GLU151 3.7 20.7 1.0 CB A:ASP177 4.0 23.6 1.0 NH1 A:ARG72 4.0 29.4 1.0 NE2 A:HIS96 4.1 28.0 1.0 OE1 A:GLU46 4.3 18.7 1.0 OD1 A:ASP177 4.4 24.0 1.0 NE2 A:HIS47 4.5 33.1 1.0 SD A:MET149 4.5 24.3 0.5 CE1 A:HIS96 4.7 27.7 1.0 OE2 A:GLU46 4.7 21.2 1.0 CG A:GLU151 4.8 21.0 1.0 CZ A:ARG72 4.8 27.0 1.0 CD2 A:HIS96 4.8 27.0 1.0 CD A:GLU46 4.9 22.4 1.0 NH2 A:ARG72 5.0 27.8 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Citrate Synthase Sbng


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 Citrate Synthase Sbng within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:50.0 occ:1.00 O A:HIS143 2.7 28.2 1.0 O A:ARG90 2.8 21.6 0.5 O A:ARG90 2.9 21.1 0.5 N A:LEU7 3.0 49.2 1.0 N A:LYS8 3.6 47.4 1.0 CB A:LEU7 3.6 44.7 1.0 CA A:SER6 3.7 56.4 1.0 C A:SER6 3.8 52.5 1.0 CA A:LEU7 3.8 46.4 1.0 CG A:MET145 3.8 27.2 1.0 C A:ARG90 3.8 21.4 0.5 OG A:SER6 3.8 55.5 1.0 CB A:ARG90 3.8 23.3 0.5 C A:ARG90 3.8 21.2 0.5 CB A:ARG90 3.8 23.9 0.5 C A:HIS143 3.8 28.2 1.0 N A:MET145 4.1 24.6 1.0 CB A:SER6 4.2 59.2 1.0 C A:LEU7 4.2 46.4 1.0 CA A:ARG90 4.3 22.5 0.5 CA A:ARG90 4.3 22.1 0.5 CB A:MET145 4.4 24.7 1.0 C A:ILE144 4.4 25.4 0.5 CA A:ILE144 4.5 25.9 0.5 CB A:LYS8 4.5 50.4 1.0 CA A:ILE144 4.5 25.8 0.5 C A:ILE144 4.6 25.4 0.5 N A:ILE144 4.6 27.2 0.5 O A:LEU5 4.6 60.5 1.0 N A:ILE144 4.6 27.1 0.5 CA A:LYS8 4.7 48.1 1.0 N A:GLY91 4.8 20.6 1.0 CA A:MET145 4.8 24.2 1.0 CA A:HIS143 4.8 30.1 1.0 NE A:ARG90 4.9 30.1 0.5 O A:SER6 4.9 52.7 1.0 CG A:ARG90 4.9 26.6 0.5 CG A:ARG90 4.9 25.0 0.5 N A:SER6 4.9 60.2 1.0 CG2 A:ILE68 5.0 18.9 1.0

M.J.Kobylarz, J.C.Grigg, J.R.Sheldon, D.E.Heinrichs, M.E.Murphy. Sbng, A Citrate Synthase in Staphylococcus Aureus: A New Fold on An Old Enzyme. J.Biol.Chem. 2014.
ISSN: ESSN 1083-351X
PubMed: 25336653
DOI: 10.1074/JBC.M114.603175