Calcium in PDB 2iar: Crystal Structure of Squid Ganglion Dfpase W244H Mutant

All present enzymatic activity of Crystal Structure of Squid Ganglion Dfpase W244H Mutant:
3.1.8.2;

The structure of Crystal Structure of Squid Ganglion Dfpase W244H Mutant, PDB code: 2iar was solved by E.I.Scharff, J.Koepke, G.Fritzsch, C.Luecke, H.Rueterjans, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	90.00 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	42.901, 81.696, 86.246, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 25.5

The binding sites of Calcium atom in the Crystal Structure of Squid Ganglion Dfpase W244H Mutant (pdb code 2iar). 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 Squid Ganglion Dfpase W244H Mutant, PDB code: 2iar:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Squid Ganglion Dfpase W244H Mutant


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 Squid Ganglion Dfpase W244H Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:13.6 occ:1.00 OD1 A:ASN175 2.3 11.9 1.0 OD1 A:ASN120 2.4 12.6 1.0 OD1 A:ASP229 2.4 12.9 1.0 OE2 A:GLU21 2.5 11.1 1.0 O A:HOH672 2.5 9.6 1.0 O A:HOH502 2.6 9.0 1.0 O A:HOH533 2.6 19.0 1.0 CG A:ASN175 3.4 11.4 1.0 CD A:GLU21 3.5 10.7 1.0 CG A:ASN120 3.5 11.8 1.0 CG A:ASP229 3.6 13.2 1.0 OE1 A:GLU21 3.7 10.4 1.0 ND2 A:ASN175 3.9 11.3 1.0 OD2 A:ASP229 4.0 13.1 1.0 ND2 A:ASN120 4.1 12.4 1.0 O A:HOH513 4.2 22.0 1.0 OD1 A:ASN272 4.3 11.1 1.0 O A:ASN120 4.6 9.5 1.0 OD2 A:ASP121 4.6 4.1 0.5 C A:ASP229 4.6 13.3 1.0 CB A:ASN175 4.7 11.4 1.0 CB A:ASP121 4.7 6.0 0.5 N A:GLY230 4.7 12.9 1.0 CB A:ASN120 4.7 11.4 1.0 O A:ALA74 4.8 12.2 1.0 CB A:ASP229 4.8 13.3 1.0 CG A:GLU21 4.8 10.6 1.0 C A:ASN175 4.9 11.6 1.0 OG A:SER271 4.9 11.3 0.7 N A:GLY176 4.9 11.9 1.0 CA A:ASP229 4.9 13.6 1.0 C A:ASN120 5.0 9.6 1.0 O A:ASP229 5.0 13.2 1.0 CG A:ASP121 5.0 4.4 0.5

Calcium binding site 2 out of 2 in the Crystal Structure of Squid Ganglion Dfpase W244H Mutant


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 Squid Ganglion Dfpase W244H Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:14.7 occ:1.00 O A:LEU273 2.4 14.4 1.0 O A:HOH693 2.4 9.0 1.0 OD2 A:ASP232 2.5 13.8 1.0 O A:HOH511 2.5 6.0 1.0 O A:HOH683 2.5 10.5 1.0 ND1 A:HIS274 2.5 11.5 1.0 CG A:ASP232 3.4 12.6 1.0 CE1 A:HIS274 3.5 11.8 1.0 CG A:HIS274 3.5 11.6 1.0 C A:LEU273 3.6 13.6 1.0 CB A:HIS274 3.7 11.8 1.0 OD1 A:ASP232 3.8 12.8 1.0 CA A:HIS274 3.9 12.8 1.0 ND2 A:ASN272 4.0 9.9 1.0 O A:PRO23 4.1 10.9 1.0 N A:HIS274 4.2 13.3 1.0 O A:MET231 4.2 9.0 0.5 O A:HOH792 4.3 16.6 1.0 O A:HOH682 4.3 11.1 1.0 O A:HOH571 4.5 11.6 1.0 NE2 A:HIS274 4.6 11.4 1.0 CB A:ASP232 4.6 12.0 1.0 CD2 A:HIS274 4.7 11.2 1.0 N A:LEU273 4.7 13.3 1.0 CA A:LEU273 4.8 13.8 1.0 CG A:PRO23 4.9 10.7 1.0 CG A:ASN272 4.9 10.6 1.0 OE1 A:GLN77 4.9 11.6 1.0 CD1 A:LEU273 4.9 15.8 1.0

E.I.Scharff, J.Koepke, G.Fritzsch, C.Luecke, H.Rueterjans. Crystal Structure of Diisopropylfluorophosphatase From Loligo Vulgaris Structure V. 9 493 2001.
ISSN: ISSN 0969-2126
PubMed: 11435114
DOI: 10.1016/S0969-2126(01)00610-4