Calcium in PDB 3l1u: Crystal Structure of Calcium-Bound Gmhb From E. Coli.

The structure of Crystal Structure of Calcium-Bound Gmhb From E. Coli., PDB code: 3l1u 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)	45.57 / 1.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.553, 64.031, 105.236, 90.00, 90.00, 90.00
R / Rfree (%)	23.5 / 25.8

The structure of Crystal Structure of Calcium-Bound Gmhb From E. Coli. also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Calcium atom in the Crystal Structure of Calcium-Bound Gmhb From E. Coli. (pdb code 3l1u). 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 Calcium-Bound Gmhb From E. Coli., PDB code: 3l1u:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Calcium-Bound Gmhb 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 Gmhb From E. Coli. within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca213 b:20.6 occ:1.00 OD2 A:ASP31 2.5 20.0 1.0 O A:HOH354 2.5 20.2 1.0 O A:ASP33 2.5 16.7 1.0 OD1 A:ASP156 2.5 25.1 1.0 O A:HOH355 2.5 25.9 1.0 O A:HOH353 2.6 16.6 1.0 OD1 A:ASP31 3.1 19.1 1.0 CG A:ASP31 3.1 18.1 1.0 CG A:ASP156 3.5 25.0 1.0 OD2 A:ASP156 3.7 27.6 1.0 C A:ASP33 3.7 21.9 1.0 O A:HOH219 4.1 19.1 1.0 CE A:LYS157 4.2 38.4 1.0 O A:HOH365 4.2 8.4 1.0 OD2 A:ASP160 4.3 18.8 1.0 CG A:LYS157 4.5 27.7 1.0 CD A:LYS157 4.5 33.9 1.0 CA A:ASP33 4.5 22.8 1.0 CB A:ASP33 4.5 20.6 1.0 CB A:ASP31 4.6 14.9 1.0 N A:ASP33 4.6 18.0 1.0 N A:GLY34 4.6 17.6 1.0 O A:HOH385 4.7 62.5 1.0 CA A:GLY34 4.7 14.9 1.0 O A:HOH223 4.7 17.9 1.0 N A:ASP156 4.8 19.8 1.0 CB A:ASP156 4.8 21.3 1.0 OD2 A:ASP39 4.8 29.9 1.0 NZ A:LYS157 4.9 40.4 1.0 OG1 A:THR35 5.0 19.0 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Calcium-Bound Gmhb From E. Coli.


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 Calcium-Bound Gmhb From E. Coli. within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca213 b:23.1 occ:1.00 O B:ASP33 2.5 21.3 1.0 O B:HOH283 2.6 32.1 1.0 O B:HOH351 2.6 23.2 1.0 OD1 B:ASP156 2.6 27.1 1.0 OD2 B:ASP31 2.6 23.6 1.0 O B:HOH304 2.7 18.4 1.0 OD1 B:ASP31 3.0 23.2 1.0 CG B:ASP31 3.2 22.8 1.0 CG B:ASP156 3.5 27.6 1.0 C B:ASP33 3.7 26.9 1.0 OD2 B:ASP156 3.8 31.3 1.0 O B:HOH249 4.2 17.8 1.0 O B:HOH227 4.2 11.8 1.0 OD2 B:ASP160 4.2 20.9 1.0 CA B:ASP33 4.5 25.7 1.0 CB B:ASP33 4.5 26.2 1.0 O B:HOH235 4.5 29.6 1.0 CD B:LYS157 4.5 42.5 1.0 CB B:ASP31 4.6 19.9 1.0 N B:GLY34 4.6 23.7 1.0 CA B:GLY34 4.6 23.9 1.0 N B:ASP33 4.7 24.2 1.0 NZ B:LYS157 4.8 43.1 1.0 N B:ASP156 4.8 24.6 1.0 CG B:LYS157 4.8 38.1 1.0 OD2 B:ASP39 4.8 37.6 1.0 CB B:ASP156 4.9 28.7 1.0 OG1 B:THR35 4.9 24.4 1.0 O B:HOH264 4.9 18.6 1.0 CB B:LYS157 5.0 31.4 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