Cobalt in PDB 3gti: D71G/E101G/M234L Mutant in Organophosphorus Hydrolase From Deinococcus Radiodurans

The structure of D71G/E101G/M234L Mutant in Organophosphorus Hydrolase From Deinococcus Radiodurans, PDB code: 3gti 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 / 2.42
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	60.960, 60.960, 205.400, 90.00, 90.00, 120.00
R / Rfree (%)	20.6 / 26.6

The structure of D71G/E101G/M234L Mutant in Organophosphorus Hydrolase From Deinococcus Radiodurans also contains other interesting chemical elements:

Sodium

(Na)

3 atoms

The binding sites of Cobalt atom in the D71G/E101G/M234L Mutant in Organophosphorus Hydrolase From Deinococcus Radiodurans (pdb code 3gti). 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/M234L Mutant in Organophosphorus Hydrolase From Deinococcus Radiodurans, PDB code: 3gti:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the D71G/E101G/M234L 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/M234L Mutant in Organophosphorus Hydrolase From Deinococcus Radiodurans within 5.0Å range: probe atom residue distance (Å) B Occ A:Co1 b:21.7 occ:1.00 OQ1 A:KCX243 2.1 11.5 1.0 ND1 A:HIS276 2.1 21.2 1.0 NE2 A:HIS304 2.2 13.9 1.0 O A:HOH641 2.2 48.1 1.0 OH A:TYR197 2.4 25.7 1.0 O A:HOH440 2.7 28.5 1.0 CE1 A:HIS276 3.1 22.0 1.0 CG A:HIS276 3.1 21.9 1.0 CD2 A:HIS304 3.1 17.0 1.0 CX A:KCX243 3.1 16.5 1.0 CE1 A:HIS304 3.2 14.4 1.0 CZ A:TYR197 3.4 24.3 1.0 CB A:HIS276 3.4 21.0 1.0 OQ2 A:KCX243 3.5 14.9 1.0 CE1 A:TYR197 3.5 24.0 1.0 CO A:CO2 3.5 24.2 1.0 OD1 A:ASP364 3.9 16.1 1.0 NE2 A:HIS276 4.2 23.1 1.0 CD2 A:HIS276 4.2 22.0 1.0 ND1 A:HIS304 4.3 17.6 1.0 CG A:HIS304 4.3 17.8 1.0 NZ A:KCX243 4.3 17.3 1.0 CE1 A:HIS121 4.3 17.7 1.0 O A:HOH21 4.4 17.9 1.0 NE2 A:HIS121 4.4 19.4 1.0 CA A:HIS276 4.4 21.0 1.0 NH2 A:ARG328 4.5 36.5 1.0 CE2 A:TYR197 4.7 25.7 1.0 CG A:ASP364 4.7 18.3 1.0 CE A:KCX243 4.8 16.0 1.0 CZ A:ARG328 4.8 33.0 1.0 CD1 A:TYR197 4.9 23.7 1.0 OD2 A:ASP364 4.9 20.1 1.0

Cobalt binding site 2 out of 2 in the D71G/E101G/M234L 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/M234L Mutant in Organophosphorus Hydrolase From Deinococcus Radiodurans within 5.0Å range: probe atom residue distance (Å) B Occ A:Co2 b:24.2 occ:1.00 NE2 A:HIS123 2.1 14.9 1.0 OD2 A:ASP364 2.1 20.1 1.0 O A:HOH641 2.1 48.1 1.0 NE2 A:HIS121 2.3 19.4 1.0 OQ2 A:KCX243 2.3 14.9 1.0 CG A:ASP364 2.8 18.3 1.0 CD2 A:HIS123 3.0 16.4 1.0 O A:HOH21 3.0 17.9 1.0 OD1 A:ASP364 3.0 16.1 1.0 CE1 A:HIS123 3.1 16.7 1.0 CX A:KCX243 3.2 16.5 1.0 CE1 A:HIS121 3.2 17.7 1.0 OQ1 A:KCX243 3.3 11.5 1.0 CD2 A:HIS121 3.3 20.2 1.0 CO A:CO1 3.5 21.7 1.0 CG A:HIS123 4.2 18.4 1.0 ND1 A:HIS123 4.2 18.0 1.0 CB A:ASP364 4.2 16.1 1.0 CE1 A:HIS304 4.2 14.4 1.0 NZ A:KCX243 4.3 17.3 1.0 NE2 A:HIS304 4.4 13.9 1.0 ND1 A:HIS121 4.4 21.3 1.0 CG A:HIS121 4.5 19.6 1.0 OH A:TYR197 4.5 25.7 1.0 CA A:ASP364 4.7 17.4 1.0 CB A:ALA167 4.9 15.2 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