Cobalt in PDB 3gtf: D71G/E101G/V235L Mutant in Organophosphorus Hydrolase From Deinococcus Radiodurans

The structure of D71G/E101G/V235L Mutant in Organophosphorus Hydrolase From Deinococcus Radiodurans, PDB code: 3gtf 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 (°)	60.954, 60.954, 204.282, 90.00, 90.00, 120.00
R / Rfree (%)	20.2 / 26.8

The binding sites of Cobalt atom in the D71G/E101G/V235L Mutant in Organophosphorus Hydrolase From Deinococcus Radiodurans (pdb code 3gtf). 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/V235L Mutant in Organophosphorus Hydrolase From Deinococcus Radiodurans, PDB code: 3gtf:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the D71G/E101G/V235L 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/V235L Mutant in Organophosphorus Hydrolase From Deinococcus Radiodurans within 5.0Å range: probe atom residue distance (Å) B Occ A:Co1 b:24.1 occ:1.00 O A:HOH9 1.8 15.9 1.0 NE2 A:HIS157 2.0 16.1 1.0 OQ2 A:KCX277 2.2 22.6 1.0 OD2 A:ASP398 2.2 16.6 1.0 NE2 A:HIS155 2.3 19.9 1.0 CX A:KCX277 2.9 21.7 1.0 CE1 A:HIS157 3.0 16.5 1.0 CD2 A:HIS157 3.0 15.8 1.0 CG A:ASP398 3.1 15.9 1.0 OQ1 A:KCX277 3.1 17.0 1.0 CD2 A:HIS155 3.3 20.4 1.0 CE1 A:HIS155 3.3 21.1 1.0 OD1 A:ASP398 3.5 18.8 1.0 CO A:CO2 3.6 22.9 1.0 O A:HOH119 3.7 38.4 1.0 O A:HOH774 3.8 56.5 1.0 NZ A:KCX277 4.0 20.1 1.0 ND1 A:HIS157 4.1 19.2 1.0 CG A:HIS157 4.1 18.6 1.0 ND1 A:HIS155 4.4 20.2 1.0 CB A:ASP398 4.4 15.2 1.0 CG A:HIS155 4.4 22.4 1.0 OH A:TYR231 4.4 36.9 1.0 CE1 A:HIS338 4.5 19.5 1.0 NE2 A:HIS338 4.6 20.3 1.0 O A:HOH518 4.7 35.5 1.0 CA A:ASP398 4.8 17.1 1.0 CB A:ALA201 4.8 17.3 1.0

Cobalt binding site 2 out of 2 in the D71G/E101G/V235L 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/V235L Mutant in Organophosphorus Hydrolase From Deinococcus Radiodurans within 5.0Å range: probe atom residue distance (Å) B Occ A:Co2 b:22.9 occ:1.00 OQ1 A:KCX277 2.0 17.0 1.0 ND1 A:HIS310 2.2 19.6 1.0 NE2 A:HIS338 2.2 20.3 1.0 OH A:TYR231 2.3 36.9 1.0 O A:HOH9 2.3 15.9 1.0 O A:HOH518 2.3 35.5 1.0 CE1 A:HIS310 3.1 20.6 1.0 CE1 A:HIS338 3.1 19.5 1.0 CX A:KCX277 3.1 21.7 1.0 CG A:HIS310 3.2 21.4 1.0 CD2 A:HIS338 3.2 21.8 1.0 CZ A:TYR231 3.4 33.3 1.0 CB A:HIS310 3.5 19.9 1.0 OQ2 A:KCX277 3.5 22.6 1.0 CO A:CO1 3.6 24.1 1.0 CE1 A:TYR231 3.7 32.8 1.0 OD1 A:ASP398 4.2 18.8 1.0 NE2 A:HIS310 4.2 20.5 1.0 NZ A:KCX277 4.3 20.1 1.0 ND1 A:HIS338 4.3 22.9 1.0 CD2 A:HIS310 4.3 22.1 1.0 CG A:HIS338 4.3 21.6 1.0 CE1 A:HIS155 4.4 21.1 1.0 NE2 A:HIS155 4.4 19.9 1.0 CA A:HIS310 4.5 19.2 1.0 O A:HOH119 4.5 38.4 1.0 O A:HOH704 4.5 49.7 1.0 CE A:KCX277 4.6 18.1 1.0 CE2 A:TYR231 4.6 32.8 1.0 CG A:ASP398 4.9 15.9 1.0 OD2 A:ASP398 4.9 16.6 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