Cobalt in PDB 3gth: D71G/E101G/M234I Mutant in Organophosphorus Hydrolase From Deinococcus Radiodurans

The structure of D71G/E101G/M234I Mutant in Organophosphorus Hydrolase From Deinococcus Radiodurans, PDB code: 3gth 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 / 1.98
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	60.700, 60.700, 205.000, 90.00, 90.00, 120.00
R / Rfree (%)	20.7 / 24.9

The binding sites of Cobalt atom in the D71G/E101G/M234I Mutant in Organophosphorus Hydrolase From Deinococcus Radiodurans (pdb code 3gth). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 2 binding sites of Cobalt where determined in the D71G/E101G/M234I Mutant in Organophosphorus Hydrolase From Deinococcus Radiodurans, PDB code: 3gth:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the D71G/E101G/M234I Mutant 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 D71G/E101G/M234I Mutant in Organophosphorus Hydrolase From Deinococcus Radiodurans within 5.0Å range: probe atom residue distance (Å) B Occ A:Co458 b:21.5 occ:1.00 O A:HOH460 1.8 15.1 1.0 OQ2 A:KCX243 2.1 21.8 1.0 NE2 A:HIS121 2.1 22.5 1.0 NE2 A:HIS123 2.1 15.0 1.0 OD2 A:ASP364 2.3 18.7 1.0 CX A:KCX243 2.9 20.4 1.0 OQ1 A:KCX243 3.0 15.1 1.0 CE1 A:HIS121 3.1 24.2 1.0 CE1 A:HIS123 3.1 15.6 1.0 CD2 A:HIS121 3.1 23.4 1.0 CD2 A:HIS123 3.1 16.2 1.0 CG A:ASP364 3.2 15.3 1.0 O1 A:FMT3 3.2 42.1 1.0 OD1 A:ASP364 3.6 17.6 1.0 CO A:CO459 3.6 22.5 1.0 NZ A:KCX243 4.0 17.2 1.0 C A:FMT3 4.1 44.1 1.0 ND1 A:HIS121 4.2 24.2 1.0 ND1 A:HIS123 4.2 17.2 1.0 CG A:HIS121 4.2 24.7 1.0 CG A:HIS123 4.2 19.0 1.0 OH A:TYR197 4.3 27.9 1.0 CE1 A:HIS304 4.3 16.9 1.0 NE2 A:HIS304 4.4 17.4 1.0 CB A:ASP364 4.5 16.6 1.0 CB A:ALA167 4.6 18.7 1.0 CA A:ASP364 4.8 18.2 1.0 O A:HOH26 4.8 26.5 1.0 O A:ALA167 5.0 21.8 1.0

Cobalt binding site 2 out of 2 in the D71G/E101G/M234I Mutant 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 D71G/E101G/M234I Mutant in Organophosphorus Hydrolase From Deinococcus Radiodurans within 5.0Å range: probe atom residue distance (Å) B Occ A:Co459 b:22.5 occ:1.00 OQ1 A:KCX243 2.0 15.1 1.0 ND1 A:HIS276 2.2 22.6 1.0 O A:HOH26 2.2 26.5 1.0 NE2 A:HIS304 2.2 17.4 1.0 OH A:TYR197 2.2 27.9 1.0 O A:HOH460 2.3 15.1 1.0 CX A:KCX243 3.1 20.4 1.0 CE1 A:HIS276 3.1 21.5 1.0 CD2 A:HIS304 3.2 18.6 1.0 CG A:HIS276 3.2 20.3 1.0 CE1 A:HIS304 3.2 16.9 1.0 CZ A:TYR197 3.3 23.8 1.0 OQ2 A:KCX243 3.5 21.8 1.0 CB A:HIS276 3.5 18.4 1.0 CE1 A:TYR197 3.6 25.6 1.0 CO A:CO458 3.6 21.5 1.0 O A:HOH663 4.1 65.7 1.0 NZ A:KCX243 4.2 17.2 1.0 NE2 A:HIS276 4.2 21.1 1.0 CE1 A:HIS121 4.2 24.2 1.0 OD1 A:ASP364 4.2 17.6 1.0 CD2 A:HIS276 4.3 20.1 1.0 ND1 A:HIS304 4.3 20.9 1.0 CG A:HIS304 4.3 21.4 1.0 NE2 A:HIS121 4.3 22.5 1.0 O1 A:FMT3 4.3 42.1 1.0 CA A:HIS276 4.4 19.1 1.0 CE A:KCX243 4.6 20.5 1.0 CE2 A:TYR197 4.6 24.2 1.0 O1 A:FMT1 4.7 39.8 1.0 C A:FMT3 4.8 44.1 1.0 OD2 A:ASP364 4.9 18.7 1.0 CG A:ASP364 4.9 15.3 1.0 CD1 A:TYR197 4.9 26.0 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