Calcium in PDB 2iao: Crystal Structure of Squid Ganglion Dfpase E37Q Mutant

All present enzymatic activity of Crystal Structure of Squid Ganglion Dfpase E37Q Mutant:
3.1.8.2;

The structure of Crystal Structure of Squid Ganglion Dfpase E37Q Mutant, PDB code: 2iao 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 / 2.00
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 / 24.9

The binding sites of Calcium atom in the Crystal Structure of Squid Ganglion Dfpase E37Q Mutant (pdb code 2iao). 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 E37Q Mutant, PDB code: 2iao:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Squid Ganglion Dfpase E37Q 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 E37Q Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:19.8 occ:1.00 OE2 A:GLU21 2.2 16.2 1.0 OD1 A:ASN120 2.4 14.2 1.0 OD1 A:ASN175 2.4 14.1 1.0 O A:HOH614 2.4 13.3 1.0 OD1 A:ASP229 2.5 16.3 1.0 O A:HOH501 2.6 16.5 1.0 O A:HOH526 2.6 23.8 1.0 CD A:GLU21 3.2 16.8 1.0 CG A:ASN120 3.5 13.5 1.0 CG A:ASN175 3.5 13.2 1.0 OE1 A:GLU21 3.5 17.3 1.0 CG A:ASP229 3.6 15.8 1.0 ND2 A:ASN175 3.9 13.8 1.0 ND2 A:ASN120 3.9 13.9 1.0 OD2 A:ASP229 4.2 15.8 1.0 OD1 A:ASN272 4.4 18.0 1.0 O A:HOH510 4.4 51.3 1.0 CG A:GLU21 4.5 15.3 1.0 O A:ASN120 4.6 12.8 1.0 OD2 A:ASP121 4.6 15.2 1.0 C A:ASP229 4.6 15.7 1.0 O A:ALA74 4.7 14.4 1.0 N A:GLY230 4.7 16.1 1.0 CB A:ASP121 4.7 13.9 1.0 CB A:ASN120 4.8 13.8 1.0 CB A:ASN175 4.8 13.2 1.0 CB A:ASP229 4.8 15.6 1.0 O A:ASP229 4.9 15.4 1.0 CA A:ASP229 4.9 15.6 1.0 OG A:SER271 4.9 19.5 1.0 C A:ASN120 5.0 13.1 1.0 C A:ASN175 5.0 12.0 1.0 CG A:ASP121 5.0 13.7 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Squid Ganglion Dfpase E37Q 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 E37Q Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:29.5 occ:1.00 OD2 A:ASP232 2.3 24.3 1.0 O A:HOH633 2.3 26.9 1.0 O A:HOH508 2.4 30.3 1.0 O A:HOH625 2.5 21.7 1.0 O A:LEU273 2.5 18.0 1.0 ND1 A:HIS274 2.7 19.4 1.0 CG A:ASP232 3.3 22.1 1.0 CG A:HIS274 3.6 18.6 1.0 CB A:HIS274 3.6 17.2 1.0 C A:LEU273 3.7 17.7 1.0 CE1 A:HIS274 3.8 19.9 1.0 CA A:HIS274 3.8 17.1 1.0 OD1 A:ASP232 3.9 23.8 1.0 ND2 A:ASN272 3.9 16.8 1.0 O A:MET231 4.0 17.3 1.0 O A:HOH703 4.0 25.3 1.0 O A:PRO23 4.2 12.8 1.0 N A:HIS274 4.2 17.3 1.0 CB A:ASP232 4.3 20.0 1.0 O A:HOH553 4.4 15.8 1.0 O A:HOH624 4.5 16.6 1.0 O A:HOH540 4.7 24.7 1.0 CD2 A:HIS274 4.8 19.4 1.0 NE2 A:HIS274 4.8 19.8 1.0 N A:LEU273 4.9 17.7 1.0 OE1 A:GLN77 4.9 15.5 1.0 CA A:LEU273 4.9 17.6 1.0 CG A:PRO23 4.9 11.3 1.0 CG A:ASN272 4.9 17.4 1.0 C A:MET231 5.0 17.5 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