Cobalt in PDB 3gu1: Y97W Mutant in Organophosphorus Hydrolase From Deinococcus Radiodurans

The structure of Y97W Mutant in Organophosphorus Hydrolase From Deinococcus Radiodurans, PDB code: 3gu1 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 / 2.00
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	61.503, 61.503, 206.575, 90.00, 90.00, 120.00
R / Rfree (%)	19.3 / 22.8

The binding sites of Cobalt atom in the Y97W Mutant in Organophosphorus Hydrolase From Deinococcus Radiodurans (pdb code 3gu1). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 2 binding sites of Cobalt where determined in the Y97W Mutant in Organophosphorus Hydrolase From Deinococcus Radiodurans, PDB code: 3gu1:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the Y97W 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 Y97W Mutant in Organophosphorus Hydrolase From Deinococcus Radiodurans within 5.0Å range: probe atom residue distance (Å) B Occ A:Co458 b:31.0 occ:1.00 O A:HOH459 1.9 36.8 1.0 NE2 A:HIS123 2.0 19.8 1.0 OD2 A:ASP364 2.2 24.8 1.0 NE2 A:HIS121 2.4 24.9 1.0 OQ2 A:KCX243 2.5 32.8 1.0 O1 A:GOL1 2.6 52.9 1.0 CE1 A:HIS123 3.0 20.8 1.0 CG A:ASP364 3.1 22.4 1.0 CD2 A:HIS123 3.1 21.5 1.0 CX A:KCX243 3.1 33.2 1.0 CD2 A:HIS121 3.2 25.2 1.0 OQ1 A:KCX243 3.3 32.5 1.0 CO A:CO2 3.4 66.9 1.0 OD1 A:ASP364 3.4 24.7 1.0 CE1 A:HIS121 3.4 26.9 1.0 C1 A:GOL1 3.6 56.0 1.0 ND1 A:HIS123 4.1 21.2 1.0 CG A:HIS123 4.2 21.6 1.0 NZ A:KCX243 4.2 29.0 1.0 O2 A:GOL1 4.3 57.5 1.0 CE1 A:HIS304 4.4 21.1 1.0 CB A:ASP364 4.4 16.7 1.0 CG A:HIS121 4.5 23.6 1.0 NE2 A:HIS304 4.5 22.7 1.0 ND1 A:HIS121 4.5 22.9 1.0 C2 A:GOL1 4.6 57.2 1.0 CA A:ASP364 4.7 18.8 1.0 CB A:ALA167 4.9 23.5 1.0 O A:ASP364 4.9 19.3 1.0

Cobalt binding site 2 out of 2 in the Y97W 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 Y97W Mutant in Organophosphorus Hydrolase From Deinococcus Radiodurans within 5.0Å range: probe atom residue distance (Å) B Occ A:Co2 b:66.9 occ:1.00 O A:HOH459 2.0 36.8 1.0 OQ1 A:KCX243 2.1 32.5 1.0 NE2 A:HIS304 2.3 22.7 1.0 ND1 A:HIS276 2.5 23.5 1.0 CX A:KCX243 3.2 33.2 1.0 CE1 A:HIS304 3.2 21.1 1.0 CD2 A:HIS304 3.3 23.4 1.0 CO A:CO458 3.4 31.0 1.0 CG A:HIS276 3.4 21.8 1.0 CE1 A:HIS276 3.5 24.7 1.0 CB A:HIS276 3.5 19.4 1.0 OQ2 A:KCX243 3.6 32.8 1.0 NE1 A:TRP197 3.7 27.4 1.0 O2 A:GOL1 3.8 57.5 1.0 NH2 A:ARG328 3.9 28.6 1.0 O1 A:GOL1 4.0 52.9 1.0 OD1 A:ASP364 4.0 24.7 1.0 NE2 A:HIS121 4.2 24.9 1.0 CZ2 A:TRP197 4.3 30.6 1.0 CE1 A:HIS121 4.3 26.9 1.0 CE2 A:TRP197 4.3 29.0 1.0 NZ A:KCX243 4.3 29.0 1.0 ND1 A:HIS304 4.4 22.7 1.0 CA A:HIS276 4.4 20.7 1.0 CG A:HIS304 4.5 22.4 1.0 CD2 A:HIS276 4.6 23.8 1.0 NE2 A:HIS276 4.6 23.9 1.0 OD2 A:ASP364 4.6 24.8 1.0 CZ A:ARG328 4.7 30.1 1.0 CG A:ASP364 4.7 22.4 1.0 CE A:KCX243 4.7 24.1 1.0 CD1 A:TRP197 4.8 27.1 1.0 C2 A:GOL1 4.9 57.2 1.0 NE A:ARG328 4.9 28.4 1.0 C1 A:GOL1 4.9 56.0 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