Calcium in PDB 2iaq: Crystal Structure of Squid Ganglion Dfpase S271A Mutant

All present enzymatic activity of Crystal Structure of Squid Ganglion Dfpase S271A Mutant:
3.1.8.2;

The structure of Crystal Structure of Squid Ganglion Dfpase S271A Mutant, PDB code: 2iaq 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 / 2.10
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 (%)	19.3 / 23.3

The binding sites of Calcium atom in the Crystal Structure of Squid Ganglion Dfpase S271A Mutant (pdb code 2iaq). 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 S271A Mutant, PDB code: 2iaq:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Squid Ganglion Dfpase S271A 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 S271A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:9.5 occ:1.00 OE2 A:GLU21 2.3 10.5 1.0 O A:HOH526 2.3 17.2 1.0 OD1 A:ASN175 2.3 10.0 1.0 OD1 A:ASN120 2.4 10.4 1.0 O A:HOH614 2.4 3.6 1.0 OD1 A:ASP229 2.4 11.9 1.0 O A:HOH501 2.5 10.4 1.0 CD A:GLU21 3.3 10.2 1.0 CG A:ASN175 3.4 9.6 1.0 CG A:ASN120 3.5 10.1 1.0 CG A:ASP229 3.6 11.5 1.0 OE1 A:GLU21 3.7 10.3 1.0 ND2 A:ASN120 3.9 10.8 1.0 ND2 A:ASN175 3.9 9.4 1.0 O A:HOH510 4.0 26.2 1.0 O A:HOH910 4.1 34.5 1.0 OD2 A:ASP229 4.1 10.7 1.0 OD1 A:ASN272 4.4 9.7 1.0 CG A:GLU21 4.6 10.0 1.0 O A:ASN120 4.6 8.2 1.0 OD2 A:ASP121 4.6 8.6 1.0 CB A:ASN175 4.7 10.0 1.0 C A:ASP229 4.7 11.5 1.0 CB A:ASP121 4.7 8.0 1.0 O A:ALA74 4.8 9.5 1.0 CB A:ASN120 4.8 10.0 1.0 N A:GLY230 4.8 11.5 1.0 CB A:ASP229 4.8 11.5 1.0 C A:ASN175 4.9 10.1 1.0 CA A:ASP229 5.0 11.6 1.0 C A:ASN120 5.0 8.7 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Squid Ganglion Dfpase S271A 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 S271A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:11.9 occ:1.00 OD2 A:ASP232 2.1 11.4 1.0 O A:LEU273 2.3 10.5 1.0 O A:HOH633 2.3 7.1 1.0 O A:HOH625 2.3 7.4 1.0 O A:HOH508 2.4 10.1 1.0 ND1 A:HIS274 2.4 9.5 1.0 CG A:ASP232 3.2 11.7 1.0 CE1 A:HIS274 3.3 9.8 1.0 CG A:HIS274 3.4 9.8 1.0 C A:LEU273 3.4 10.6 1.0 CB A:HIS274 3.6 9.7 1.0 OD1 A:ASP232 3.6 11.8 1.0 CA A:HIS274 3.7 10.3 1.0 N A:HIS274 4.0 10.4 1.0 ND2 A:ASN272 4.0 8.7 1.0 O A:MET231 4.1 12.3 1.0 O A:PRO23 4.1 8.9 1.0 O A:HOH703 4.3 10.2 1.0 O A:HOH553 4.3 12.8 1.0 CB A:ASP232 4.4 11.5 1.0 O A:HOH624 4.4 12.5 1.0 NE2 A:HIS274 4.4 9.5 1.0 CD2 A:HIS274 4.5 9.8 1.0 CA A:LEU273 4.7 10.6 1.0 N A:LEU273 4.7 10.4 1.0 CD1 A:LEU273 4.8 11.0 1.0 CG A:PRO23 4.8 8.1 1.0 C A:MET231 5.0 12.4 1.0 CG A:ASN272 5.0 9.3 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