Calcium in PDB 3li5: Diisopropyl Fluorophosphatase (Dfpase), E21Q,N120D,N175D,D229N Mutant

All present enzymatic activity of Diisopropyl Fluorophosphatase (Dfpase), E21Q,N120D,N175D,D229N Mutant:
3.1.8.2;

The structure of Diisopropyl Fluorophosphatase (Dfpase), E21Q,N120D,N175D,D229N Mutant, PDB code: 3li5 was solved by J.C.-H.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.44 / 1.36
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	42.900, 82.000, 86.300, 90.00, 90.00, 90.00
R / Rfree (%)	19.9 / 21.3

The binding sites of Calcium atom in the Diisopropyl Fluorophosphatase (Dfpase), E21Q,N120D,N175D,D229N Mutant (pdb code 3li5). 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 Diisopropyl Fluorophosphatase (Dfpase), E21Q,N120D,N175D,D229N Mutant, PDB code: 3li5:

Calcium binding site 1 out of 1 in the Diisopropyl Fluorophosphatase (Dfpase), E21Q,N120D,N175D,D229N Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Diisopropyl Fluorophosphatase (Dfpase), E21Q,N120D,N175D,D229N Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca315 b:2.3 occ:1.00 OD2 A:ASP232 2.3 9.3 1.0 O A:HOH449 2.4 7.8 1.0 ND1 A:HIS274 2.4 6.6 1.0 O A:HOH324 2.4 7.4 1.0 O A:LEU273 2.4 6.7 1.0 O A:HOH317 2.4 8.5 1.0 CG A:ASP232 3.2 7.7 1.0 CE1 A:HIS274 3.4 6.8 1.0 CG A:HIS274 3.4 5.8 1.0 OD1 A:ASP232 3.5 7.3 1.0 C A:LEU273 3.6 6.2 1.0 CB A:HIS274 3.6 6.9 1.0 CA A:HIS274 3.7 6.4 1.0 ND2 A:ASN272 4.0 2.6 1.0 O A:PRO23 4.1 5.7 1.0 N A:HIS274 4.1 5.8 1.0 O A:HOH345 4.1 7.9 1.0 O A:MET231 4.2 6.0 1.0 O A:HOH319 4.4 6.6 1.0 O A:HOH331 4.4 7.8 1.0 CB A:ASP232 4.4 7.0 1.0 NE2 A:HIS274 4.5 7.6 1.0 CD2 A:HIS274 4.5 6.1 1.0 N A:LEU273 4.7 5.2 1.0 CA A:LEU273 4.8 6.3 1.0 CG A:ASN272 4.8 5.3 1.0 CD1 A:LEU273 4.8 11.0 1.0 CG A:PRO23 4.9 5.2 1.0 C A:MET231 5.0 5.6 1.0

M.M.Blum, J.C.Chen. Structural Characterization of the Catalytic Calcium-Binding Site in Diisopropyl Fluorophosphatase (Dfpase)-Comparison with Related Beta-Propeller Enzymes. Chem.Biol.Interact V. 187 373 2010.
ISSN: ISSN 0009-2797
PubMed: 20206152
DOI: 10.1016/J.CBI.2010.02.043