Chlorine in PDB 6qgc: Petase From Ideonella Sakaiensis Without Ligand

All present enzymatic activity of Petase From Ideonella Sakaiensis Without Ligand:
3.1.1.101;

The structure of Petase From Ideonella Sakaiensis Without Ligand, PDB code: 6qgc was solved by G.J.Palm, L.Reisky, D.Boettcher, H.Mueller, E.A.P.Michels, C.Walczak, L.Berndt, M.S.Weiss, U.T.Bornscheuer, G.Weber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.73 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	51.121, 78.769, 140.121, 90.00, 92.56, 90.00
R / Rfree (%)	21.3 / 26.1

The binding sites of Chlorine atom in the Petase From Ideonella Sakaiensis Without Ligand (pdb code 6qgc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Petase From Ideonella Sakaiensis Without Ligand, PDB code: 6qgc:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Petase From Ideonella Sakaiensis Without Ligand


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Petase From Ideonella Sakaiensis Without Ligand within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:20.8 occ:1.00 OG A:SER160 2.8 17.9 1.0 O A:HOH444 3.3 28.1 1.0 N A:TYR87 3.3 20.1 1.0 CB A:SER160 3.3 17.7 1.0 N A:MET161 3.4 17.7 1.0 CG A:MET161 3.4 18.6 1.0 CB A:TYR87 3.5 20.9 1.0 CB A:MET161 3.8 18.2 1.0 CA A:GLY86 4.0 19.3 1.0 CA A:TYR87 4.1 20.7 1.0 C A:GLY86 4.2 19.7 1.0 CA A:MET161 4.2 17.8 1.0 C A:SER160 4.3 17.4 1.0 SD A:MET161 4.4 19.2 1.0 O A:HOH460 4.4 25.1 1.0 CA A:SER160 4.4 17.4 1.0 CE A:MET161 4.5 19.6 1.0 CG A:TRP185 4.7 21.2 1.0 CB A:TRP185 4.7 21.0 1.0 CD1 A:TRP185 4.7 21.1 1.0 O A:TYR87 4.8 20.8 1.0 CG A:TYR87 4.8 21.6 1.0 NE2 A:HIS237 4.9 22.4 1.0 C A:TYR87 5.0 21.1 1.0

Chlorine binding site 2 out of 4 in the Petase From Ideonella Sakaiensis Without Ligand


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Petase From Ideonella Sakaiensis Without Ligand within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:25.2 occ:1.00 O B:HOH450 2.5 31.9 1.0 OG B:SER160 2.8 19.2 1.0 CB B:SER160 3.3 18.9 1.0 CG B:MET161 3.4 20.4 1.0 N B:MET161 3.4 19.1 1.0 N B:TYR87 3.5 19.2 1.0 CB B:TYR87 3.5 20.1 1.0 CB B:MET161 3.8 19.8 1.0 O B:HOH472 4.1 25.0 1.0 CA B:TYR87 4.2 19.8 1.0 CA B:GLY86 4.2 18.5 1.0 CA B:MET161 4.2 19.2 1.0 C B:SER160 4.3 18.7 1.0 C B:GLY86 4.3 18.8 1.0 CA B:SER160 4.4 18.6 1.0 NE A:ARG132 4.4 29.2 1.0 SD B:MET161 4.4 21.3 1.0 CD A:ARG132 4.5 27.0 1.0 CE B:MET161 4.6 21.7 1.0 O B:TYR87 4.7 20.2 1.0 NE2 B:HIS237 4.8 23.8 1.0 CG B:TYR87 4.8 20.7 1.0 C B:TYR87 5.0 20.2 1.0

Chlorine binding site 3 out of 4 in the Petase From Ideonella Sakaiensis Without Ligand


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Petase From Ideonella Sakaiensis Without Ligand within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl303 b:21.7 occ:1.00 OG C:SER160 2.8 18.7 1.0 O C:HOH491 3.1 27.7 1.0 CB C:SER160 3.3 18.5 1.0 N C:MET161 3.4 19.0 1.0 N C:TYR87 3.4 21.1 1.0 CB C:TYR87 3.5 21.9 1.0 CG C:MET161 3.6 20.4 1.0 CB C:MET161 3.8 19.8 1.0 CA C:GLY86 4.0 20.4 1.0 CA C:TYR87 4.1 21.7 1.0 CA C:MET161 4.2 19.2 1.0 C C:GLY86 4.2 20.8 1.0 C C:SER160 4.3 18.4 1.0 CA C:SER160 4.4 18.2 1.0 O C:HOH446 4.4 24.4 1.0 SD C:MET161 4.4 21.4 1.0 CE C:MET161 4.5 21.7 1.0 CG C:TRP185 4.7 22.6 1.0 CB C:TRP185 4.7 22.1 1.0 CD1 C:TRP185 4.8 22.7 1.0 O C:TYR87 4.8 21.7 1.0 CG C:TYR87 4.8 22.6 1.0 NE2 C:HIS237 4.9 23.4 1.0 C C:TYR87 5.0 22.1 1.0

Chlorine binding site 4 out of 4 in the Petase From Ideonella Sakaiensis Without Ligand


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Petase From Ideonella Sakaiensis Without Ligand within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl301 b:23.6 occ:1.00 O D:HOH428 2.5 30.8 1.0 OG D:SER160 2.9 20.4 1.0 CB D:SER160 3.3 20.1 1.0 CG D:MET161 3.3 22.0 1.0 N D:MET161 3.4 20.0 1.0 N D:TYR87 3.4 20.9 1.0 CB D:TYR87 3.7 21.8 1.0 CB D:MET161 3.8 21.1 1.0 CA D:GLY86 4.0 20.5 1.0 O D:HOH441 4.1 28.3 1.0 CA D:MET161 4.2 20.3 1.0 CA D:TYR87 4.2 21.3 1.0 C D:SER160 4.2 19.7 1.0 C D:GLY86 4.3 20.8 1.0 SD D:MET161 4.3 23.1 1.0 CA D:SER160 4.3 19.7 1.0 NE2 D:HIS237 4.7 23.2 1.0 CE D:MET161 4.7 23.3 1.0 O D:TYR87 4.8 21.3 1.0 CG D:TYR87 5.0 22.2 1.0

G.J.Palm, L.Reisky, D.Bottcher, H.Muller, E.A.P.Michels, M.C.Walczak, L.Berndt, M.S.Weiss, U.T.Bornscheuer, G.Weber. Structure of the Plastic-Degrading Ideonella Sakaiensis Mhetase Bound to A Substrate. Nat Commun V. 10 1717 2019.
ISSN: ESSN 2041-1723
PubMed: 30979881
DOI: 10.1038/S41467-019-09326-3