Calcium in PDB 2iav: Crystal Structure of Squid Ganglion Dfpase H287A Mutant

All present enzymatic activity of Crystal Structure of Squid Ganglion Dfpase H287A Mutant:
3.1.8.2;

The structure of Crystal Structure of Squid Ganglion Dfpase H287A Mutant, PDB code: 2iav 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)	59.76 / 1.07
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	43.070, 81.996, 86.627, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 19.6

The binding sites of Calcium atom in the Crystal Structure of Squid Ganglion Dfpase H287A Mutant (pdb code 2iav). 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 H287A Mutant, PDB code: 2iav:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Squid Ganglion Dfpase H287A 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 H287A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:5.3 occ:1.00 O A:HOH577 2.4 5.6 1.0 OE2 A:GLU21 2.4 7.5 1.0 OD1 A:ASP229 2.4 6.4 1.0 O A:HOH447 2.4 12.0 1.0 OD1 A:ASN120 2.4 6.8 1.0 OD1 A:ASN175 2.4 6.1 1.0 O A:HOH446 2.4 6.1 1.0 CD A:GLU21 3.4 5.8 1.0 CG A:ASN120 3.5 7.3 1.0 CG A:ASN175 3.5 5.2 1.0 CG A:ASP229 3.6 5.5 1.0 OE1 A:GLU21 3.8 5.8 1.0 O A:HOH448 3.9 34.6 1.0 ND2 A:ASN175 3.9 6.8 1.0 O A:HOH848 4.0 9.9 1.0 ND2 A:ASN120 4.0 9.7 1.0 OD2 A:ASP229 4.2 7.5 1.0 OD1 A:ASN272 4.5 6.8 1.0 O A:ASN120 4.6 4.9 1.0 OD2 A:ASP121 4.6 5.3 1.0 CG A:GLU21 4.6 7.4 1.0 O A:SER271 4.7 6.6 1.0 N A:GLY230 4.7 5.4 1.0 C A:ASP229 4.7 5.2 1.0 O A:ALA74 4.7 6.2 1.0 CB A:ASP229 4.8 5.8 1.0 CB A:ASP121 4.8 5.0 1.0 CB A:ASN120 4.8 6.7 1.0 CB A:ASN175 4.8 5.8 1.0 C A:ASN175 4.9 4.6 1.0 CA A:ASP229 4.9 5.5 1.0 N A:GLY176 4.9 5.1 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Squid Ganglion Dfpase H287A 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 H287A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:3.9 occ:1.00 OD2 A:ASP232 2.2 6.6 1.0 O A:HOH450 2.2 5.9 1.0 O A:HOH685 2.2 6.1 1.0 O A:LEU273 2.3 5.4 1.0 O A:HOH522 2.3 6.2 1.0 ND1 A:HIS274 2.4 6.0 1.0 CG A:ASP232 3.1 5.5 1.0 CE1 A:HIS274 3.3 6.9 1.0 CG A:HIS274 3.4 5.5 1.0 C A:LEU273 3.4 5.5 1.0 OD1 A:ASP232 3.6 6.5 1.0 CB A:HIS274 3.7 6.1 1.0 CA A:HIS274 3.8 5.5 1.0 ND2 A:ASN272 4.0 3.9 1.0 N A:HIS274 4.1 5.5 1.0 O A:PRO23 4.1 5.3 1.0 O A:MET231 4.2 5.9 1.0 O A:HOH576 4.2 6.6 1.0 O A:HOH521 4.3 6.0 1.0 O A:HOH687 4.4 7.4 1.0 NE2 A:HIS274 4.4 6.9 1.0 CB A:ASP232 4.5 6.2 1.0 CD2 A:HIS274 4.5 7.0 1.0 N A:LEU273 4.7 5.6 1.0 CA A:LEU273 4.7 5.8 1.0 CD1 A:LEU273 4.9 14.1 1.0 CG A:ASN272 4.9 5.4 1.0 CG A:PRO23 4.9 5.8 1.0 C A:MET231 5.0 5.4 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