Calcium in PDB 2iaw: Crystal Structure of Squid Ganglion Dfpase N175D Mutant

All present enzymatic activity of Crystal Structure of Squid Ganglion Dfpase N175D Mutant:
3.1.8.2;

The structure of Crystal Structure of Squid Ganglion Dfpase N175D Mutant, PDB code: 2iaw was solved by V.Katsemi, C.Luecke, J.Koepke, F.Loehr, S.Maurer, G.Fritzsch, H.Rueterjans, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	90.00 / 1.74
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	42.930, 81.590, 86.360, 90.00, 90.00, 90.00
R / Rfree (%)	16.5 / 21.1

The binding sites of Calcium atom in the Crystal Structure of Squid Ganglion Dfpase N175D Mutant (pdb code 2iaw). 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 N175D Mutant, PDB code: 2iaw:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Squid Ganglion Dfpase N175D 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 N175D Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:6.9 occ:1.00 OD1 A:ASP175 2.3 12.5 1.0 OE2 A:GLU21 2.4 10.3 1.0 O A:HOH447 2.4 10.7 1.0 O A:HOH577 2.4 7.6 1.0 OD1 A:ASN120 2.4 8.7 1.0 O A:HOH446 2.4 8.4 1.0 OD1 A:ASP229 2.4 11.2 1.0 CG A:ASP175 3.3 13.2 1.0 CD A:GLU21 3.4 11.0 1.0 CG A:ASN120 3.5 7.0 1.0 OD2 A:ASP175 3.6 16.4 1.0 CG A:ASP229 3.6 11.7 1.0 OE1 A:GLU21 3.8 9.4 1.0 O A:HOH448 3.8 14.2 1.0 ND2 A:ASN120 3.9 7.6 1.0 OD2 A:ASP229 4.2 11.5 1.0 OD1 A:ASN272 4.4 11.5 1.0 O A:ASN120 4.6 5.4 1.0 OD2 A:ASP121 4.6 7.6 1.0 C A:ASP229 4.6 8.0 1.0 CB A:ASP175 4.6 8.2 1.0 CB A:ASP121 4.7 5.7 1.0 N A:GLY230 4.7 7.8 1.0 CG A:GLU21 4.7 7.1 1.0 O A:SER271 4.7 8.8 1.0 O A:ALA74 4.7 7.5 1.0 CB A:ASN120 4.8 6.2 1.0 CB A:ASP229 4.8 8.6 1.0 CA A:ASP229 4.8 8.0 1.0 C A:ASP175 4.8 6.9 1.0 CG A:ASP121 4.9 6.8 1.0 C A:ASN120 4.9 5.1 1.0 CA A:ASP175 5.0 7.8 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Squid Ganglion Dfpase N175D 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 N175D Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:5.0 occ:1.00 OD2 A:ASP232 2.2 10.1 1.0 O A:HOH685 2.2 8.5 1.0 O A:HOH450 2.3 8.4 1.0 O A:LEU273 2.3 6.4 1.0 O A:HOH522 2.3 7.6 1.0 ND1 A:HIS274 2.5 7.1 1.0 CG A:ASP232 3.2 10.3 1.0 CE1 A:HIS274 3.4 8.9 1.0 C A:LEU273 3.5 6.1 1.0 CG A:HIS274 3.5 6.1 1.0 OD1 A:ASP232 3.6 8.9 1.0 CA A:HIS274 3.8 7.3 1.0 CB A:HIS274 3.8 7.0 1.0 ND2 A:ASN272 4.0 3.4 1.0 N A:HIS274 4.1 6.1 1.0 O A:PRO23 4.1 4.7 1.0 O A:HOH576 4.2 11.9 1.0 O A:MET231 4.2 7.3 1.0 O A:HOH521 4.4 9.3 1.0 O A:HOH687 4.4 5.9 1.0 CB A:ASP232 4.5 7.9 1.0 NE2 A:HIS274 4.5 7.2 1.0 CD2 A:HIS274 4.6 7.2 1.0 N A:LEU273 4.6 6.0 1.0 CA A:LEU273 4.7 6.8 1.0 CD1 A:LEU273 4.8 15.3 1.0 CG A:PRO23 4.9 6.3 1.0 CG A:ASN272 4.9 4.5 1.0

V.Katsemi, C.Luecke, J.Koepke, F.Loehr, S.Maurer, G.Fritzsch, H.Rueterjans. Mutational and Structural Studies of the Diisopropylfluorophosphatase From Loligo Vulgaris Shed New Light on the Catalytic Mechanism of the Enzyme Biochemistry V. 44 9022 2005.
ISSN: ISSN 0006-2960
PubMed: 15966726
DOI: 10.1021/BI0500675