Chlorine in PDB 5cta: G158E/K44E/R57E/Y49E Bacillus Subtilis Lipase A with 10% [Bmim][Cl]

All present enzymatic activity of G158E/K44E/R57E/Y49E Bacillus Subtilis Lipase A with 10% [Bmim][Cl]:
3.1.1.3;

The structure of G158E/K44E/R57E/Y49E Bacillus Subtilis Lipase A with 10% [Bmim][Cl], PDB code: 5cta was solved by E.M.Nordwald, J.G.Plaks, J.R.Snell, M.C.Sousa, J.L.Kaar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.05 / 1.24
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.210, 55.950, 64.420, 90.00, 90.00, 90.00
R / Rfree (%)	10.9 / 13.5

The binding sites of Chlorine atom in the G158E/K44E/R57E/Y49E Bacillus Subtilis Lipase A with 10% [Bmim][Cl] (pdb code 5cta). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the G158E/K44E/R57E/Y49E Bacillus Subtilis Lipase A with 10% [Bmim][Cl], PDB code: 5cta:

Chlorine binding site 1 out of 1 in the G158E/K44E/R57E/Y49E Bacillus Subtilis Lipase A with 10% [Bmim][Cl]


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of G158E/K44E/R57E/Y49E Bacillus Subtilis Lipase A with 10% [Bmim][Cl] within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:10.6 occ:1.00 H A:HIS156 2.4 5.9 1.0 H A:MET134 2.4 8.0 1.0 H2 A:HOH502 2.4 14.4 1.0 H2 A:HOH424 2.4 24.3 1.0 HB2 A:MET134 3.0 13.2 1.0 O A:HOH424 3.1 20.2 1.0 O A:HOH502 3.2 12.0 1.0 N A:HIS156 3.2 4.9 1.0 N A:MET134 3.2 6.7 1.0 HB2 A:HIS156 3.2 6.9 1.0 HG12 A:ILE135 3.3 11.8 1.0 HG2 A:MET134 3.3 17.8 1.0 H1 A:HOH424 3.3 24.3 1.0 HA2 A:GLY155 3.3 6.7 1.0 HA A:ASP133 3.4 7.0 1.0 HB3 A:HIS156 3.5 6.9 1.0 H1 A:HOH502 3.5 14.4 1.0 CB A:MET134 3.7 11.0 1.0 HA3 A:GLY155 3.7 6.7 1.0 CB A:HIS156 3.7 5.8 1.0 CG A:MET134 3.8 14.8 1.0 HG3 A:MET134 3.8 17.8 1.0 CA A:GLY155 3.9 5.6 1.0 H2 A:HOH511 4.0 11.3 1.0 CA A:MET134 4.0 8.2 1.0 C A:GLY155 4.0 5.2 1.0 H A:ILE135 4.1 8.0 1.0 O A:ALA132 4.1 8.7 1.0 CA A:HIS156 4.1 5.2 1.0 CA A:ASP133 4.2 5.9 1.0 C A:ASP133 4.2 6.1 1.0 CG1 A:ILE135 4.2 9.8 1.0 HG13 A:ILE135 4.4 11.8 1.0 N A:ILE135 4.5 6.7 1.0 OD1 A:ASP133 4.5 5.6 1.0 H A:ILE157 4.6 7.2 1.0 HD13 A:ILE135 4.6 13.4 1.0 HB3 A:MET134 4.6 13.2 1.0 C A:MET134 4.6 8.0 1.0 H2 A:HOH626 4.6 41.7 1.0 O A:HOH511 4.7 9.4 1.0 O A:HOH626 4.7 34.8 1.0 HA A:HIS156 4.7 6.2 1.0 HA A:MET134 4.8 9.8 1.0 CD1 A:ILE135 4.9 11.2 1.0 C A:ALA132 4.9 6.6 1.0 CG A:ASP133 5.0 5.2 1.0 HD12 A:ILE135 5.0 13.4 1.0

E.M.Nordwald, J.G.Plaks, J.R.Snell, M.C.Sousa, J.L.Kaar. Crystallographic Investigation of Imidazolium Ionic Liquid Effects on Enzyme Structure. Chembiochem V. 16 2456 2015.
ISSN: ESSN 1439-7633
PubMed: 26388426
DOI: 10.1002/CBIC.201500398