Calcium in PDB 3l1v: Crystal Structure of Gmhb From E. Coli in Complex with Calcium and Phosphate.

The structure of Crystal Structure of Gmhb From E. Coli in Complex with Calcium and Phosphate., PDB code: 3l1v 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)	27.14 / 1.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.575, 64.309, 104.381, 90.00, 90.00, 90.00
R / Rfree (%)	24.6 / 28.4

The structure of Crystal Structure of Gmhb From E. Coli in Complex with Calcium and Phosphate. also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Calcium atom in the Crystal Structure of Gmhb From E. Coli in Complex with Calcium and Phosphate. (pdb code 3l1v). 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 Gmhb From E. Coli in Complex with Calcium and Phosphate., PDB code: 3l1v:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Gmhb 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 Gmhb From E. Coli in Complex with Calcium and Phosphate. within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca213 b:28.2 occ:1.00 O1 A:PO4214 2.5 36.7 1.0 O A:ASP33 2.5 21.9 1.0 O A:HOH350 2.5 28.9 1.0 OD1 A:ASP156 2.6 29.3 1.0 O A:HOH261 2.8 25.6 1.0 OD2 A:ASP31 2.8 37.9 1.0 OD1 A:ASP31 2.8 39.5 1.0 O A:HOH231 3.0 33.1 1.0 CG A:ASP31 3.2 33.9 1.0 P A:PO4214 3.5 34.6 1.0 CG A:ASP156 3.6 23.5 1.0 O2 A:PO4214 3.6 31.6 1.0 C A:ASP33 3.6 25.5 1.0 O3 A:PO4214 3.8 31.3 1.0 OD2 A:ASP156 3.9 25.6 1.0 OD2 A:ASP160 4.3 28.2 1.0 CB A:ASP33 4.4 28.2 1.0 CA A:ASP33 4.4 23.9 1.0 N A:ASP33 4.4 18.8 1.0 O A:HOH258 4.5 25.6 1.0 CD A:LYS157 4.6 39.7 1.0 O A:HOH330 4.6 48.8 1.0 N A:GLY34 4.6 28.4 1.0 CB A:ASP31 4.7 25.8 1.0 NZ A:LYS157 4.7 46.7 1.0 O4 A:PO4214 4.7 37.9 1.0 N A:ASP156 4.8 22.5 1.0 CA A:GLY34 4.8 22.7 1.0 CE A:LYS157 4.9 45.9 1.0 CB A:ASP156 4.9 21.9 1.0 CG A:LYS157 5.0 35.1 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Gmhb 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 2 of Crystal Structure of Gmhb From E. Coli in Complex with Calcium and Phosphate. within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca213 b:75.5 occ:1.00 O2 B:PO4214 2.6 33.5 1.0 OD1 B:ASP156 2.8 30.9 1.0 O B:ASP33 2.9 33.4 1.0 OD2 B:ASP31 3.0 39.0 1.0 OD2 B:ASP156 3.1 28.4 1.0 CG B:ASP156 3.4 25.7 1.0 CD B:LYS157 3.5 47.2 1.0 OD2 B:ASP39 3.7 45.4 1.0 C B:ASP33 3.8 33.1 1.0 CG B:ASP31 3.9 38.3 1.0 P B:PO4214 3.9 30.1 1.0 CG B:LYS157 3.9 40.1 1.0 CB B:ASP33 4.0 33.8 1.0 OD1 B:ASP31 4.1 43.6 1.0 O B:HOH263 4.2 30.8 1.0 O4 B:PO4214 4.3 25.7 1.0 CA B:ASP33 4.4 32.1 1.0 N B:GLY34 4.7 25.6 1.0 CE B:LYS157 4.7 54.0 1.0 O3 B:PO4214 4.7 27.2 1.0 CB B:ASP156 4.8 27.3 1.0 O1 B:PO4214 4.8 28.2 1.0 N B:ASP33 4.9 26.3 1.0 CA B:GLY34 4.9 24.3 1.0 CG B:ASP39 4.9 42.4 1.0 NZ B:LYS157 5.0 58.1 1.0 OD2 B:ASP160 5.0 25.2 1.0

P.L.Taylor, S.Sugiman-Marangos, K.Zhang, M.A.Valvano, G.D.Wright, M.S.Junop. Structural and Kinetic Characterization of the Lps Biosynthetic Enzyme D-Alpha,Beta-D-Heptose-1,7-Bisphosphate Phosphatase (Gmhb) From Escherichia Coli. Biochemistry V. 49 1033 2010.
ISSN: ISSN 0006-2960
PubMed: 20050699
DOI: 10.1021/BI901780J