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

The structure of D71G/E101G Mutant in Organophosphorus Hydrolase From Deinococcus Radiodurans, PDB code: 3gtx 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 / 1.62
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	61.030, 61.030, 205.180, 90.00, 90.00, 120.00
R / Rfree (%)	24.2 / 28.2

The binding sites of Cobalt atom in the D71G/E101G Mutant in Organophosphorus Hydrolase From Deinococcus Radiodurans (pdb code 3gtx). 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 Mutant in Organophosphorus Hydrolase From Deinococcus Radiodurans, PDB code: 3gtx:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the D71G/E101G 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 Mutant in Organophosphorus Hydrolase From Deinococcus Radiodurans within 5.0Å range: probe atom residue distance (Å) B Occ A:Co501 b:18.8 occ:1.00 O A:HOH597 1.7 9.6 1.0 NE2 A:HIS123 2.0 15.3 1.0 OQ2 A:KCX243 2.1 16.6 1.0 NE2 A:HIS121 2.1 17.6 1.0 OD1 A:ASP364 2.2 13.2 1.0 CX A:KCX243 2.9 21.5 1.0 CE1 A:HIS123 2.9 16.1 1.0 CD2 A:HIS123 3.0 17.6 1.0 CE1 A:HIS121 3.1 15.6 1.0 OQ1 A:KCX243 3.1 16.6 1.0 CG A:ASP364 3.1 16.0 1.0 CD2 A:HIS121 3.2 16.0 1.0 O A:HOH76 3.3 31.0 1.0 OD2 A:ASP364 3.4 16.0 1.0 CO A:CO502 3.6 19.1 1.0 NZ A:KCX243 4.0 16.5 1.0 ND1 A:HIS123 4.1 17.5 1.0 CG A:HIS123 4.1 14.5 1.0 ND1 A:HIS121 4.2 17.0 1.0 OH A:TYR197 4.3 20.0 1.0 CG A:HIS121 4.3 19.9 1.0 CE1 A:HIS304 4.3 21.4 1.0 NE2 A:HIS304 4.4 23.2 1.0 CB A:ASP364 4.4 17.9 1.0 CB A:ALA167 4.5 15.5 1.0 O A:HOH529 4.7 39.3 1.0 CA A:ASP364 4.8 15.0 1.0 O A:HOH41 5.0 28.8 1.0

Cobalt binding site 2 out of 2 in the D71G/E101G 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 Mutant in Organophosphorus Hydrolase From Deinococcus Radiodurans within 5.0Å range: probe atom residue distance (Å) B Occ A:Co502 b:19.1 occ:1.00 OQ1 A:KCX243 2.1 16.6 1.0 OH A:TYR197 2.1 20.0 1.0 ND1 A:HIS276 2.2 13.9 1.0 NE2 A:HIS304 2.3 23.2 1.0 O A:HOH597 2.3 9.6 1.0 O A:HOH41 2.4 28.8 1.0 CE1 A:HIS276 3.1 16.6 1.0 CD2 A:HIS304 3.1 19.3 1.0 CX A:KCX243 3.2 21.5 1.0 CZ A:TYR197 3.2 17.0 1.0 CE1 A:HIS304 3.3 21.4 1.0 CG A:HIS276 3.3 15.7 1.0 CE1 A:TYR197 3.4 16.7 1.0 OQ2 A:KCX243 3.6 16.6 1.0 CO A:CO501 3.6 18.8 1.0 CB A:HIS276 3.7 15.6 1.0 O A:HOH76 4.1 31.0 1.0 OD2 A:ASP364 4.2 16.0 1.0 NE2 A:HIS276 4.3 18.1 1.0 O A:HOH436 4.3 30.9 1.0 NZ A:KCX243 4.3 16.5 1.0 CG A:HIS304 4.3 21.4 1.0 ND1 A:HIS304 4.4 19.3 1.0 CD2 A:HIS276 4.4 15.9 1.0 CE1 A:HIS121 4.5 15.6 1.0 CE2 A:TYR197 4.5 18.6 1.0 NE2 A:HIS121 4.5 17.6 1.0 CA A:HIS276 4.6 15.9 1.0 CE A:KCX243 4.8 21.0 1.0 CD1 A:TYR197 4.8 17.7 1.0 O A:HOH603 4.8 45.9 1.0 OD1 A:ASP364 4.9 13.2 1.0 CG A:ASP364 4.9 16.0 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