Cobalt in PDB 3gu9: R228A Mutation in Organophosphorus Hydrolase From Deinococcus Radiodurans

The structure of R228A Mutation in Organophosphorus Hydrolase From Deinococcus Radiodurans, PDB code: 3gu9 was solved by R.Hawwa, S.Larsen, K.Ratia, A.Mesecar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.06
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	61.200, 61.200, 206.920, 90.00, 90.00, 120.00
R / Rfree (%)	18.6 / 22.1

The binding sites of Cobalt atom in the R228A Mutation in Organophosphorus Hydrolase From Deinococcus Radiodurans (pdb code 3gu9). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 2 binding sites of Cobalt where determined in the R228A Mutation in Organophosphorus Hydrolase From Deinococcus Radiodurans, PDB code: 3gu9:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the R228A Mutation in Organophosphorus Hydrolase From Deinococcus Radiodurans


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of R228A Mutation in Organophosphorus Hydrolase From Deinococcus Radiodurans within 5.0Å range: probe atom residue distance (Å) B Occ A:Co1 b:28.9 occ:1.00 O A:HOH1053 1.8 29.4 1.0 NE2 A:HIS123 2.1 20.8 1.0 NE2 A:HIS121 2.2 27.2 1.0 OD2 A:ASP364 2.2 23.9 1.0 OQ2 A:KCX243 2.5 32.1 1.0 O A:HOH1094 2.9 35.5 1.0 CE1 A:HIS123 3.0 20.4 1.0 CX A:KCX243 3.1 33.6 1.0 CG A:ASP364 3.1 23.8 1.0 OQ1 A:KCX243 3.1 31.9 1.0 CD2 A:HIS123 3.1 20.7 1.0 CD2 A:HIS121 3.2 25.4 1.0 CE1 A:HIS121 3.3 24.1 1.0 OD1 A:ASP364 3.3 29.3 1.0 CO A:CO2 3.6 36.5 1.0 O A:HOH1131 4.0 37.4 1.0 ND1 A:HIS123 4.1 20.3 1.0 CG A:HIS123 4.2 20.5 1.0 NZ A:KCX243 4.3 32.7 1.0 CG A:HIS121 4.4 25.3 1.0 ND1 A:HIS121 4.4 24.7 1.0 CB A:ASP364 4.4 21.6 1.0 CE1 A:HIS304 4.6 38.9 1.0 NE2 A:HIS304 4.6 38.0 1.0 CB A:ALA167 4.7 19.6 1.0 CA A:ASP364 4.9 21.6 1.0 CE A:KCX243 5.0 31.6 1.0 O A:HOH1183 5.0 44.3 1.0

Cobalt binding site 2 out of 2 in the R228A Mutation in Organophosphorus Hydrolase From Deinococcus Radiodurans


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of R228A Mutation in Organophosphorus Hydrolase From Deinococcus Radiodurans within 5.0Å range: probe atom residue distance (Å) B Occ A:Co2 b:36.5 occ:1.00 OQ1 A:KCX243 1.7 31.9 1.0 NE2 A:HIS304 2.1 38.0 1.0 ND1 A:HIS276 2.3 31.9 1.0 O A:HOH1053 2.4 29.4 1.0 O A:HOH1131 2.8 37.4 1.0 CX A:KCX243 2.9 33.6 1.0 CE1 A:HIS304 3.0 38.9 1.0 CD2 A:HIS304 3.1 37.6 1.0 CG A:HIS276 3.2 27.4 1.0 CE1 A:HIS276 3.4 30.8 1.0 OH A:TYR197 3.4 40.4 1.0 CB A:HIS276 3.4 23.6 1.0 CO A:CO1 3.6 28.9 1.0 OQ2 A:KCX243 3.6 32.1 1.0 NZ A:KCX243 3.8 32.7 1.0 O A:HOH1094 3.8 35.5 1.0 CE1 A:TYR197 3.9 32.4 1.0 CZ A:TYR197 4.1 34.2 1.0 ND1 A:HIS304 4.2 38.5 1.0 OD1 A:ASP364 4.2 29.3 1.0 CG A:HIS304 4.3 35.0 1.0 CE1 A:HIS121 4.3 24.1 1.0 NE2 A:HIS121 4.3 27.2 1.0 CA A:HIS276 4.4 22.0 1.0 CD2 A:HIS276 4.4 30.4 1.0 NE2 A:HIS276 4.4 32.8 1.0 O A:HOH1183 4.8 44.3 1.0 CG A:ASP364 4.9 23.8 1.0 OD2 A:ASP364 4.9 23.9 1.0

R.Hawwa, S.D.Larsen, K.Ratia, A.D.Mesecar. Structure-Based and Random Mutagenesis Approaches Increase the Organophosphate-Degrading Activity of A Phosphotriesterase Homologue From Deinococcus Radiodurans. J.Mol.Biol. V. 393 36 2009.
ISSN: ISSN 0022-2836
PubMed: 19631223
DOI: 10.1016/J.JMB.2009.06.083