Chlorine in PDB 4hs9: Methanol Tolerant Mutant of the Proteus Mirabilis Lipase

All present enzymatic activity of Methanol Tolerant Mutant of the Proteus Mirabilis Lipase:
3.1.1.3;

The structure of Methanol Tolerant Mutant of the Proteus Mirabilis Lipase, PDB code: 4hs9 was solved by T.P.Korman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.63 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.099, 54.849, 96.013, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 20.5

The structure of Methanol Tolerant Mutant of the Proteus Mirabilis Lipase also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Chlorine atom in the Methanol Tolerant Mutant of the Proteus Mirabilis Lipase (pdb code 4hs9). 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 Methanol Tolerant Mutant of the Proteus Mirabilis Lipase, PDB code: 4hs9:

Chlorine binding site 1 out of 1 in the Methanol Tolerant Mutant of the Proteus Mirabilis Lipase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Methanol Tolerant Mutant of the Proteus Mirabilis Lipase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:22.4 occ:1.00 O A:HOH551 3.0 37.4 1.0 O A:HOH510 3.2 16.0 1.0 N A:TYR24 3.3 16.6 1.0 NE2 A:HIS11 3.3 17.2 1.0 CB A:TYR24 3.8 16.1 1.0 CB A:SER17 3.8 28.3 1.0 CA A:PRO23 3.8 18.8 1.0 OG A:SER43 4.0 29.8 1.0 C A:PRO23 4.1 17.6 1.0 CD2 A:HIS11 4.2 16.3 1.0 CA A:TYR24 4.2 15.9 1.0 CE1 A:HIS11 4.2 17.5 1.0 CB A:PRO23 4.3 19.3 1.0 OG A:SER17 4.3 32.8 1.0 N A:SER17 4.4 25.1 1.0 CG2 A:THR41 4.6 17.8 1.0 CA A:SER17 4.6 27.1 1.0 CD2 A:PHE16 4.7 20.3 1.0 CB A:PHE16 4.8 21.2 1.0 O A:HOH509 4.9 19.5 1.0 O A:HOH558 4.9 39.7 1.0 O A:PHE22 5.0 19.7 1.0

T.P.Korman, B.Sahachartsiri, D.M.Charbonneau, G.L.Huang, M.Beauregard, J.U.Bowie. Dieselzymes: Development of A Stable and Methanol Tolerant Lipase For Biodiesel Production By Directed Evolution. Biotechnol Biofuels V. 6 70 2013.
PubMed: 23648063
DOI: 10.1186/1754-6834-6-70