Chlorine in PDB 4fbl: Lips and Lipt, Two Metagenome-Derived Lipolytic Enzymes Increase the Diversity of Known Lipase and Esterase Families

The structure of Lips and Lipt, Two Metagenome-Derived Lipolytic Enzymes Increase the Diversity of Known Lipase and Esterase Families, PDB code: 4fbl was solved by J.Chow, U.Krauss, Y.Dall Antonia, F.Fersini, C.Schmeisser, M.Schmidt, I.Menyes, U.Bornscheuer, B.Lauinger, P.Bongen, J.Pietruszka, M.Eckstein, O.Thum, A.Liese, J.Mueller-Dieckmann, K.-E.Jaeger, F.Kovacic, W.R.Streit, Structural Proteomics In Europe (Spine), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.30 / 1.99
Space group	P 4
Cell size a, b, c (Å), α, β, γ (°)	105.270, 105.270, 120.980, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / 21.7

The binding sites of Chlorine atom in the Lips and Lipt, Two Metagenome-Derived Lipolytic Enzymes Increase the Diversity of Known Lipase and Esterase Families (pdb code 4fbl). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Lips and Lipt, Two Metagenome-Derived Lipolytic Enzymes Increase the Diversity of Known Lipase and Esterase Families, PDB code: 4fbl:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Lips and Lipt, Two Metagenome-Derived Lipolytic Enzymes Increase the Diversity of Known Lipase and Esterase Families


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Lips and Lipt, Two Metagenome-Derived Lipolytic Enzymes Increase the Diversity of Known Lipase and Esterase Families within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:29.3 occ:1.00 O A:HOH495 2.2 25.1 1.0 N A:MET127 3.1 14.7 1.0 C9 A:SPD301 3.1 35.3 1.0 N A:PHE58 3.1 18.0 1.0 CB A:SER126 3.2 20.9 1.0 CB A:PHE58 3.4 18.4 1.0 CB A:MET127 3.6 14.0 1.0 C8 A:SPD301 3.7 36.4 1.0 N10 A:SPD301 3.7 25.5 1.0 OG A:SER126 3.8 30.7 1.0 CA A:PHE58 3.9 18.0 1.0 CA A:MET127 3.9 16.6 1.0 CA A:GLY57 4.0 16.1 1.0 C A:GLY57 4.1 17.1 1.0 C A:SER126 4.1 18.4 1.0 CD1 A:LEU201 4.2 20.1 1.0 O A:PHE58 4.2 16.3 1.0 CA A:SER126 4.3 19.3 1.0 CD1 A:ILE176 4.5 53.4 1.0 CG A:PHE58 4.6 21.3 1.0 C A:PHE58 4.6 16.8 1.0 CB A:ALA152 4.8 19.7 1.0 CD2 A:PHE58 4.8 22.8 1.0 O A:LEU125 5.0 12.9 1.0

Chlorine binding site 2 out of 4 in the Lips and Lipt, Two Metagenome-Derived Lipolytic Enzymes Increase the Diversity of Known Lipase and Esterase Families


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Lips and Lipt, Two Metagenome-Derived Lipolytic Enzymes Increase the Diversity of Known Lipase and Esterase Families within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:35.2 occ:1.00 O B:HOH488 2.3 24.6 1.0 N B:PHE58 3.1 21.5 1.0 CB B:SER126 3.1 20.3 1.0 N B:MET127 3.2 15.6 1.0 C9 B:SPD301 3.2 37.2 1.0 CB B:PHE58 3.4 21.8 1.0 CB B:MET127 3.7 14.3 1.0 N10 B:SPD301 3.8 32.1 1.0 CA B:PHE58 3.8 21.6 1.0 C8 B:SPD301 3.9 37.3 1.0 OG B:SER126 4.0 29.7 1.0 C B:GLY57 4.0 21.7 1.0 CA B:MET127 4.0 16.1 1.0 O B:PHE58 4.1 22.8 1.0 CA B:GLY57 4.1 19.7 1.0 C B:SER126 4.1 18.5 1.0 CA B:SER126 4.2 19.9 1.0 CD1 B:LEU201 4.3 17.9 1.0 C B:PHE58 4.5 21.3 1.0 CG B:PHE58 4.6 18.0 1.0 CD1 B:ILE176 4.8 51.4 1.0 CB B:ALA152 4.8 20.0 1.0 CD2 B:PHE58 4.9 19.4 1.0 O B:LEU125 5.0 17.3 1.0 CG B:MET127 5.0 14.7 1.0

Chlorine binding site 3 out of 4 in the Lips and Lipt, Two Metagenome-Derived Lipolytic Enzymes Increase the Diversity of Known Lipase and Esterase Families


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Lips and Lipt, Two Metagenome-Derived Lipolytic Enzymes Increase the Diversity of Known Lipase and Esterase Families within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl302 b:34.5 occ:1.00 O C:HOH568 2.3 22.2 1.0 CB C:SER126 3.1 20.1 1.0 N C:MET127 3.1 16.1 1.0 C9 C:SPD301 3.2 45.4 1.0 N C:PHE58 3.3 19.9 1.0 CB C:PHE58 3.4 19.6 1.0 N10 C:SPD301 3.6 41.1 1.0 CB C:MET127 3.7 14.2 1.0 OG C:SER126 3.9 28.4 1.0 CA C:PHE58 4.0 19.2 1.0 CA C:MET127 4.0 15.8 1.0 C C:SER126 4.0 18.1 1.0 O C:PHE58 4.2 20.5 1.0 CA C:SER126 4.2 20.6 1.0 CA C:GLY57 4.2 17.8 1.0 C C:GLY57 4.2 19.6 1.0 CD1 C:LEU201 4.2 18.0 1.0 C8 C:SPD301 4.3 48.6 1.0 CG C:PHE58 4.6 20.7 1.0 C C:PHE58 4.6 17.9 1.0 CB C:ALA152 4.6 16.6 1.0 CD1 C:ILE176 4.7 48.0 1.0 CD2 C:PHE58 4.9 17.7 1.0 O C:LEU125 5.0 16.6 1.0

Chlorine binding site 4 out of 4 in the Lips and Lipt, Two Metagenome-Derived Lipolytic Enzymes Increase the Diversity of Known Lipase and Esterase Families


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Lips and Lipt, Two Metagenome-Derived Lipolytic Enzymes Increase the Diversity of Known Lipase and Esterase Families within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl301 b:33.4 occ:1.00 O D:HOH464 2.4 26.9 1.0 N D:MET127 3.0 19.7 1.0 CB D:SER126 3.1 24.2 1.0 N D:PHE58 3.1 23.4 1.0 CB D:PHE58 3.3 22.9 1.0 CB D:MET127 3.6 18.4 1.0 CA D:PHE58 3.8 22.6 1.0 CA D:MET127 3.9 18.8 1.0 C D:SER126 4.0 21.1 1.0 OG D:SER126 4.0 30.7 1.0 C D:GLY57 4.1 25.0 1.0 CA D:SER126 4.1 21.9 1.0 CA D:GLY57 4.2 23.7 1.0 O D:PHE58 4.2 21.1 1.0 CD1 D:LEU201 4.4 18.1 1.0 CB D:ALA152 4.5 22.7 1.0 C D:PHE58 4.6 22.2 1.0 CG D:PHE58 4.6 18.6 1.0 O D:LEU125 4.9 23.2 1.0

J.Chow, F.Kovacic, Y.Dall Antonia, U.Krauss, F.Fersini, C.Schmeisser, B.Lauinger, P.Bongen, J.Pietruszka, M.Schmidt, I.Menyes, U.T.Bornscheuer, M.Eckstein, O.Thum, A.Liese, J.Mueller-Dieckmann, K.E.Jaeger, W.R.Streit. The Metagenome-Derived Enzymes Lips and Lipt Increase the Diversity of Known Lipases. Plos One V. 7 47665 2012.
ISSN: ESSN 1932-6203
PubMed: 23112831
DOI: 10.1371/JOURNAL.PONE.0047665