Calcium in PDB 2vqr: Crystal Structure of A Phosphonate Monoester Hydrolase From Rhizobium Leguminosarum: A New Member of the Alkaline Phosphatase Superfamily

The structure of Crystal Structure of A Phosphonate Monoester Hydrolase From Rhizobium Leguminosarum: A New Member of the Alkaline Phosphatase Superfamily, PDB code: 2vqr was solved by S.Jonas, M.Hyvonen, F.Hollfelder, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.63 / 1.42
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	59.700, 96.600, 178.500, 90.00, 90.00, 90.00
R / Rfree (%)	15.6 / 18.2

The structure of Crystal Structure of A Phosphonate Monoester Hydrolase From Rhizobium Leguminosarum: A New Member of the Alkaline Phosphatase Superfamily also contains other interesting chemical elements:

Manganese	(Mn)	1 atom
Sodium	(Na)	1 atom

The binding sites of Calcium atom in the Crystal Structure of A Phosphonate Monoester Hydrolase From Rhizobium Leguminosarum: A New Member of the Alkaline Phosphatase Superfamily (pdb code 2vqr). 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 A Phosphonate Monoester Hydrolase From Rhizobium Leguminosarum: A New Member of the Alkaline Phosphatase Superfamily, PDB code: 2vqr:

Calcium binding site 1 out of 1 in the Crystal Structure of A Phosphonate Monoester Hydrolase From Rhizobium Leguminosarum: A New Member of the Alkaline Phosphatase Superfamily


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 A Phosphonate Monoester Hydrolase From Rhizobium Leguminosarum: A New Member of the Alkaline Phosphatase Superfamily within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1516 b:8.4 occ:0.40 MN A:MN1515 0.0 7.8 0.2 OD2 A:ASP324 2.1 12.9 1.0 OG2 A:CYS57 2.1 23.9 0.6 NE2 A:HIS325 2.3 10.7 1.0 OD1 A:ASP12 2.4 12.9 1.0 OD2 A:ASP12 2.5 12.5 1.0 CG A:ASP12 2.7 14.6 1.0 CG A:ASP324 3.0 11.4 1.0 CE1 A:HIS325 3.1 13.5 1.0 CB A:CYS57 3.2 13.3 0.6 SG A:CYS57 3.2 32.2 0.4 CD2 A:HIS325 3.2 10.1 1.0 OD1 A:ASP324 3.2 9.5 1.0 OG1 A:CYS57 3.5 17.0 0.6 CA A:CYS57 3.7 18.9 0.4 CA A:CYS57 3.7 8.9 0.6 O A:HOH2011 3.7 28.3 1.0 CB A:CYS57 3.8 16.5 0.4 CB A:ASP12 4.1 12.3 1.0 ND1 A:HIS325 4.1 9.2 1.0 N A:CYS57 4.1 16.8 0.4 NH2 A:ARG61 4.2 10.6 1.0 CG A:HIS325 4.2 10.3 1.0 N A:CYS57 4.2 5.7 0.6 CD2 A:HIS218 4.3 13.5 1.0 CB A:ASP324 4.3 8.5 1.0 OE1 A:GLN13 4.3 11.8 1.0 NE A:ARG61 4.4 9.6 1.0 NZ A:LYS337 4.4 13.7 1.0 CE A:LYS337 4.5 13.2 1.0 CA A:ASP12 4.6 10.4 1.0 N A:GLN13 4.7 8.5 1.0 O A:HOH2124 4.8 23.6 1.0 CZ A:ARG61 4.8 9.6 1.0 C A:CYS57 5.0 14.9 0.4 C A:ASP12 5.0 7.6 1.0 O A:HOH2333 5.0 40.0 1.0 NE2 A:HIS218 5.0 12.7 1.0

S.Jonas, B.Van Loo, M.Hyvonen, F.Hollfelder. A New Member of the Alkaline Phosphatase Superfamily with A Formylglycine Nucleophile: Structural and Kinetic Characterisation of A Phosphonate Monoester Hydrolase/Phosphodiesterase From Rhizobium Leguminosarum. J.Mol.Biol. V. 384 120 2008.
ISSN: ISSN 0022-2836
PubMed: 18793651
DOI: 10.1016/J.JMB.2008.08.072