Chlorine in PDB 3i6y: Structure of An Esterase From the Oil-Degrading Bacterium Oleispira Antarctica

All present enzymatic activity of Structure of An Esterase From the Oil-Degrading Bacterium Oleispira Antarctica:
3.1.1.2;

The structure of Structure of An Esterase From the Oil-Degrading Bacterium Oleispira Antarctica, PDB code: 3i6y was solved by A.U.Singer, E.Evdokimova, O.Kagan, A.M.Edwards, A.Joachimiak, A.Savchenko, Midwest Center For Structural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.94 / 1.75
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.845, 88.179, 84.104, 90.00, 94.75, 90.00
R / Rfree (%)	18.8 / 22.9

The binding sites of Chlorine atom in the Structure of An Esterase From the Oil-Degrading Bacterium Oleispira Antarctica (pdb code 3i6y). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of An Esterase From the Oil-Degrading Bacterium Oleispira Antarctica, PDB code: 3i6y:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of An Esterase From the Oil-Degrading Bacterium Oleispira Antarctica


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of An Esterase From the Oil-Degrading Bacterium Oleispira Antarctica within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl280 b:12.3 occ:1.00 O A:HOH299 3.1 15.4 1.0 OG A:SER148 3.1 11.1 1.0 N A:LEU55 3.1 12.5 1.0 N A:MSE149 3.1 11.6 1.0 CB A:SER148 3.3 12.7 1.0 CG A:LEU55 3.4 10.7 1.0 CB A:MSE149 3.4 11.2 1.0 CB A:LEU55 3.6 12.2 1.0 CD1 A:LEU55 3.6 12.6 1.0 CA A:MSE149 3.8 11.4 1.0 CA A:GLY54 3.9 10.9 1.0 CA A:LEU55 4.0 11.7 1.0 CZ3 A:TRP182 4.0 16.9 1.0 C A:GLY54 4.0 11.3 1.0 C A:SER148 4.1 12.2 1.0 CD1 A:ILE174 4.2 12.4 1.0 CA A:SER148 4.3 12.6 1.0 CE3 A:TRP182 4.3 16.9 1.0 O A:HOH353 4.4 18.5 1.0 O A:HOH537 4.4 9.7 1.0 CH2 A:TRP182 4.5 15.5 1.0 CG A:MSE149 4.8 12.9 1.0 CD2 A:LEU55 4.8 12.2 1.0 CG1 A:ILE174 4.9 12.8 1.0 NE2 A:HIS257 4.9 12.6 1.0

Chlorine binding site 2 out of 2 in the Structure of An Esterase From the Oil-Degrading Bacterium Oleispira Antarctica


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of An Esterase From the Oil-Degrading Bacterium Oleispira Antarctica within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl280 b:13.0 occ:1.00 OG B:SER148 3.0 13.2 1.0 O B:HOH317 3.0 15.2 1.0 N B:MSE149 3.1 11.1 1.0 N B:LEU55 3.2 12.1 1.0 CB B:SER148 3.3 12.3 1.0 CB B:MSE149 3.4 11.2 1.0 CG B:LEU55 3.4 11.8 1.0 CB B:LEU55 3.6 11.5 1.0 CD1 B:LEU55 3.7 13.7 1.0 CA B:MSE149 3.9 11.2 1.0 CZ3 B:TRP182 3.9 16.4 1.0 CA B:GLY54 4.0 10.3 1.0 CA B:LEU55 4.0 11.7 1.0 C B:GLY54 4.1 11.0 1.0 C B:SER148 4.1 11.5 1.0 CD1 B:ILE174 4.2 13.4 1.0 CE3 B:TRP182 4.2 13.5 1.0 CA B:SER148 4.3 12.2 1.0 O B:HOH402 4.4 15.5 1.0 O B:HOH493 4.4 15.0 1.0 CH2 B:TRP182 4.5 14.5 1.0 CG B:MSE149 4.8 12.9 1.0 CG1 B:ILE174 4.9 12.7 1.0 CD2 B:LEU55 4.9 11.2 1.0 NE2 B:HIS257 4.9 10.9 1.0

S.Lemak, A.Tchigvintsev, P.Petit, R.Flick, A.U.Singer, G.Brown, E.Evdokimova, O.Egorova, C.F.Gonzalez, T.N.Chernikova, M.M.Yakimov, M.Kube, R.Reinhardt, P.N.Golyshin, A.Savchenko, A.F.Yakunin. Structure and Activity of the Cold-Active and Anion-Activated Carboxyl Esterase OLEI01171 From the Oil-Degrading Marine Bacterium Oleispira Antarctica. Biochem.J. V. 445 193 2012.
ISSN: ISSN 0264-6021
PubMed: 22519667
DOI: 10.1042/BJ20112113