Calcium in PDB 3esr: Crystal Structure of D,D-HEPTOSE1.7-Bisphosphate Phosphatase From E. Coli in Complex with Calcium and Phosphate

The structure of Crystal Structure of D,D-HEPTOSE1.7-Bisphosphate Phosphatase From E. Coli in Complex with Calcium and Phosphate, PDB code: 3esr was solved by S.N.Sugiman-Marangos, M.S.Junop, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.65 / 1.95
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	64.183, 50.446, 52.018, 90.00, 90.00, 90.00
R / Rfree (%)	20.8 / 27.6

The structure of Crystal Structure of D,D-HEPTOSE1.7-Bisphosphate Phosphatase From E. Coli in Complex with Calcium and Phosphate also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Calcium atom in the Crystal Structure of D,D-HEPTOSE1.7-Bisphosphate Phosphatase From E. Coli in Complex with Calcium and Phosphate (pdb code 3esr). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Crystal Structure of D,D-HEPTOSE1.7-Bisphosphate Phosphatase From E. Coli in Complex with Calcium and Phosphate, PDB code: 3esr:

Calcium binding site 1 out of 1 in the Crystal Structure of D,D-HEPTOSE1.7-Bisphosphate Phosphatase From E. Coli in Complex with Calcium and Phosphate


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 D,D-HEPTOSE1.7-Bisphosphate Phosphatase From E. Coli in Complex with Calcium and Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca213 b:35.5 occ:1.00 O3 A:PO4214 2.1 52.3 1.0 OD2 A:ASP31 2.2 41.2 1.0 O A:ASP33 2.3 26.3 1.0 OD1 A:ASP156 2.5 29.5 1.0 O A:HOH304 2.8 36.0 1.0 CG A:ASP31 2.8 34.9 1.0 OD1 A:ASP31 2.9 42.8 1.0 P A:PO4214 3.3 40.3 1.0 CG A:ASP156 3.5 27.8 1.0 C A:ASP33 3.5 26.9 1.0 OD2 A:ASP156 3.7 34.3 1.0 O1 A:PO4214 3.8 41.1 1.0 O2 A:PO4214 3.9 40.3 1.0 CB A:ASP31 4.1 29.2 1.0 CB A:ASP33 4.2 27.4 1.0 OD2 A:ASP160 4.2 27.0 1.0 CA A:ASP33 4.2 26.7 1.0 NZ A:LYS157 4.3 49.8 1.0 N A:ASP33 4.4 25.4 1.0 CG A:LYS157 4.4 34.4 1.0 O4 A:PO4214 4.4 35.9 1.0 O A:HOH243 4.5 41.5 1.0 N A:GLY34 4.5 25.1 1.0 N A:ASP156 4.6 25.2 1.0 CA A:GLY34 4.7 26.3 1.0 CB A:ASP156 4.7 27.2 1.0 OG1 A:THR35 4.9 27.7 1.0 CE A:LYS157 4.9 45.0 1.0 C A:ARG32 4.9 23.0 1.0 N A:ARG32 5.0 23.8 1.0

P.Taylor, S.N.Sugiman-Marangos, K.Zhang, G.Deleon, G.D.Wright, M.S.Junop. Crystal Structure of D,D-Heptose 1.7-Bisphosphate Phosphatase From E. Coli. To Be Published.