Calcium in PDB 3esq: Crystal Structure of Calcium-Bound D,D-Heptose 1.7-Bisphosphate Phosphatase From E. Coli

The structure of Crystal Structure of Calcium-Bound D,D-Heptose 1.7-Bisphosphate Phosphatase From E. Coli, PDB code: 3esq 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)	40.62 / 1.70
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	63.904, 50.585, 52.638, 90.00, 90.00, 90.00
R / Rfree (%)	20 / 25.8

The structure of Crystal Structure of Calcium-Bound D,D-Heptose 1.7-Bisphosphate Phosphatase From E. Coli also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Calcium atom in the Crystal Structure of Calcium-Bound D,D-Heptose 1.7-Bisphosphate Phosphatase From E. Coli (pdb code 3esq). 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 Calcium-Bound D,D-Heptose 1.7-Bisphosphate Phosphatase From E. Coli, PDB code: 3esq:

Calcium binding site 1 out of 1 in the Crystal Structure of Calcium-Bound D,D-Heptose 1.7-Bisphosphate Phosphatase From E. Coli


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 Calcium-Bound D,D-Heptose 1.7-Bisphosphate Phosphatase From E. Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca213 b:21.2 occ:1.00 OD2 A:ASP31 2.2 23.4 1.0 OD1 A:ASP156 2.3 24.5 1.0 O A:ASP33 2.3 21.3 1.0 O A:HOH386 2.4 28.7 1.0 O A:HOH384 2.4 28.5 1.0 O A:HOH385 2.5 29.1 1.0 CG A:ASP31 3.0 20.4 1.0 OD1 A:ASP31 3.2 25.0 1.0 CG A:ASP156 3.3 24.8 1.0 C A:ASP33 3.5 21.6 1.0 OD2 A:ASP156 3.6 27.3 1.0 CE A:LYS157 4.2 39.5 1.0 OD2 A:ASP160 4.2 21.8 1.0 O A:HOH214 4.3 12.5 1.0 O A:HOH219 4.4 18.3 1.0 CA A:ASP33 4.4 21.5 1.0 CB A:ASP31 4.4 19.6 1.0 N A:ASP156 4.4 21.4 1.0 N A:GLY34 4.5 19.8 1.0 CB A:ASP33 4.5 23.5 1.0 N A:ASP33 4.5 20.9 1.0 CA A:GLY34 4.6 21.1 1.0 CB A:ASP156 4.6 24.8 1.0 CG A:LYS157 4.6 30.0 1.0 O A:HOH364 4.7 37.6 1.0 OG1 A:THR35 4.8 21.8 1.0 O A:HOH347 4.8 45.7 1.0 OD2 A:ASP39 4.9 30.6 1.0 CD A:LYS157 4.9 36.6 1.0 NZ A:LYS157 4.9 37.2 1.0 CA A:ASP156 5.0 24.1 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.