Calcium in PDB 4i9f: Crystal Structure of Glycerol Phosphate Phosphatase RV1692 From Mycobacterium Tuberculosis in Complex with Calcium

The structure of Crystal Structure of Glycerol Phosphate Phosphatase RV1692 From Mycobacterium Tuberculosis in Complex with Calcium, PDB code: 4i9f was solved by T.Biswas, G.Larrouy-Maumus, L.P.De Carvalho, O.V.Tsodikov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 2.21
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	97.814, 70.318, 97.099, 90.00, 95.56, 90.00
R / Rfree (%)	19.1 / 24.3

The structure of Crystal Structure of Glycerol Phosphate Phosphatase RV1692 From Mycobacterium Tuberculosis in Complex with Calcium also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Calcium atom in the Crystal Structure of Glycerol Phosphate Phosphatase RV1692 From Mycobacterium Tuberculosis in Complex with Calcium (pdb code 4i9f). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Crystal Structure of Glycerol Phosphate Phosphatase RV1692 From Mycobacterium Tuberculosis in Complex with Calcium, PDB code: 4i9f:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Crystal Structure of Glycerol Phosphate Phosphatase RV1692 From Mycobacterium Tuberculosis in Complex with Calcium


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 Glycerol Phosphate Phosphatase RV1692 From Mycobacterium Tuberculosis in Complex with Calcium within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:43.9 occ:1.00 OD2 A:ASP14 2.3 42.6 1.0 OD2 A:ASP209 2.3 36.8 1.0 O A:ASP16 2.3 39.8 1.0 O A:HOH579 2.4 33.5 1.0 CG A:ASP14 3.0 40.6 1.0 OD1 A:ASP14 3.1 42.1 1.0 CG A:ASP209 3.3 34.1 1.0 OD1 A:ASP209 3.5 37.5 1.0 C A:ASP16 3.6 40.1 1.0 OD2 A:ASP214 3.9 33.7 1.0 O A:HOH514 4.2 33.9 1.0 CB A:ASP14 4.4 38.1 1.0 N A:ASP16 4.4 42.2 1.0 N A:GLY17 4.5 37.8 1.0 CA A:ASP16 4.5 43.5 1.0 CB A:ARG210 4.5 36.8 1.0 CA A:GLY17 4.6 36.2 1.0 O A:HOH561 4.6 36.9 1.0 OG1 A:THR18 4.7 35.1 1.0 CB A:ASP209 4.7 32.9 1.0 N A:ASP209 4.8 30.7 1.0 CB A:ASP16 4.9 46.9 1.0 CG A:ASP214 4.9 33.2 1.0 N A:ARG210 4.9 32.5 1.0 C A:LEU15 5.0 41.3 1.0

Calcium binding site 2 out of 3 in the Crystal Structure of Glycerol Phosphate Phosphatase RV1692 From Mycobacterium Tuberculosis in Complex with Calcium


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 Glycerol Phosphate Phosphatase RV1692 From Mycobacterium Tuberculosis in Complex with Calcium within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca401 b:67.6 occ:1.00 SD B:MET1 3.3 75.4 1.0 CE B:MET1 3.8 73.6 1.0 CG B:MET1 4.1 67.0 1.0

Calcium binding site 3 out of 3 in the Crystal Structure of Glycerol Phosphate Phosphatase RV1692 From Mycobacterium Tuberculosis in Complex with Calcium


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Glycerol Phosphate Phosphatase RV1692 From Mycobacterium Tuberculosis in Complex with Calcium within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca402 b:63.6 occ:1.00 O B:ILE295 2.3 53.4 1.0 C B:ILE295 3.5 52.0 1.0 CG2 B:ILE295 3.7 59.4 1.0 O B:LEU292 3.9 49.4 1.0 CA B:ASP296 4.4 49.5 1.0 N B:ASP296 4.4 50.2 1.0 CA B:ILE295 4.5 54.3 1.0 CB B:ILE295 4.7 57.4 1.0 N B:ILE295 4.7 51.3 1.0 O B:ASP296 4.8 41.0 1.0

G.Larrouy-Maumus, T.Biswas, D.M.Hunt, G.Kelly, O.V.Tsodikov, L.P.De Carvalho. Discovery of A Glycerol 3-Phosphate Phosphatase Reveals Glycerophospholipid Polar Head Recycling in Mycobacterium Tuberculosis. Proc.Natl.Acad.Sci.Usa V. 110 11320 2013.
ISSN: ISSN 0027-8424
PubMed: 23801751
DOI: 10.1073/PNAS.1221597110