Chlorine in PDB 6eqg: Crystal Structure of A Polyethylene Terephthalate Degrading Hydrolase From Ideonella Sakaiensis in Spacegroup P21

All present enzymatic activity of Crystal Structure of A Polyethylene Terephthalate Degrading Hydrolase From Ideonella Sakaiensis in Spacegroup P21:
3.1.1.101;

The structure of Crystal Structure of A Polyethylene Terephthalate Degrading Hydrolase From Ideonella Sakaiensis in Spacegroup P21, PDB code: 6eqg was solved by H.P.Austin, M.D.Allen, C.W.Johnson, G.T.Beckham, J.E.Mcgeehan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.46 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	69.149, 46.381, 119.581, 90.00, 93.19, 90.00
R / Rfree (%)	15.1 / 18.4

The binding sites of Chlorine atom in the Crystal Structure of A Polyethylene Terephthalate Degrading Hydrolase From Ideonella Sakaiensis in Spacegroup P21 (pdb code 6eqg). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of A Polyethylene Terephthalate Degrading Hydrolase From Ideonella Sakaiensis in Spacegroup P21, PDB code: 6eqg:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of A Polyethylene Terephthalate Degrading Hydrolase From Ideonella Sakaiensis in Spacegroup P21


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of A Polyethylene Terephthalate Degrading Hydrolase From Ideonella Sakaiensis in Spacegroup P21 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:15.1 occ:1.00 OG A:SER160 2.8 14.7 1.0 O A:HOH544 3.1 18.1 1.0 N A:TYR87 3.2 13.3 1.0 CB A:TYR87 3.3 14.1 1.0 N A:MET161 3.3 12.1 1.0 CB A:SER160 3.4 10.1 1.0 CG A:MET161 3.4 14.5 1.0 CB A:MET161 3.7 15.1 1.0 CA A:TYR87 3.9 12.4 1.0 CA A:MET161 4.1 13.3 1.0 CA A:GLY86 4.1 14.5 1.0 C A:GLY86 4.2 13.8 1.0 C A:SER160 4.3 9.4 1.0 SD A:MET161 4.3 16.2 1.0 CA A:SER160 4.3 10.6 1.0 CE A:MET161 4.4 15.9 1.0 CG A:TRP185 4.5 19.1 1.0 O A:HOH456 4.5 19.7 1.0 CB A:TRP185 4.5 15.2 1.0 CG A:TYR87 4.6 11.5 1.0 CD1 A:TRP185 4.6 22.6 1.0 O A:TYR87 4.7 18.4 1.0 C A:TYR87 4.8 14.5 1.0 NE2 A:HIS237 4.8 11.9 1.0 CD2 A:TRP185 4.9 21.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of A Polyethylene Terephthalate Degrading Hydrolase From Ideonella Sakaiensis in Spacegroup P21


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of A Polyethylene Terephthalate Degrading Hydrolase From Ideonella Sakaiensis in Spacegroup P21 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:15.4 occ:1.00 OG B:SER160 2.9 12.0 1.0 N B:TYR87 3.2 12.4 1.0 O B:HOH561 3.2 19.6 1.0 N B:MET161 3.3 15.0 1.0 CB B:TYR87 3.4 13.1 1.0 CB B:SER160 3.4 11.4 1.0 CG B:MET161 3.5 13.1 1.0 CB B:MET161 3.7 14.7 1.0 CE3 B:TRP185 3.9 28.9 1.0 CA B:TYR87 3.9 11.8 1.0 CG A:PRO36 4.0 17.8 1.0 CA B:MET161 4.1 12.7 1.0 CA B:GLY86 4.1 13.9 1.0 CZ3 B:TRP185 4.1 22.6 1.0 C B:GLY86 4.2 14.0 1.0 C B:SER160 4.3 12.8 1.0 SD B:MET161 4.3 14.4 1.0 CA B:SER160 4.4 11.7 1.0 CB A:PRO36 4.6 17.2 1.0 CG B:TYR87 4.7 13.1 1.0 CE B:MET161 4.7 18.6 1.0 O B:TYR87 4.8 15.2 1.0 NE2 B:HIS237 4.9 14.2 1.0 C B:TYR87 4.9 13.3 1.0 O B:HOH550 4.9 27.0 1.0

H.P.Austin, M.D.Allen, B.S.Donohoe, N.A.Rorrer, F.L.Kearns, R.L.Silveira, B.C.Pollard, G.Dominick, R.Duman, K.El Omari, V.Mykhaylyk, A.Wagner, W.E.Michener, A.Amore, M.S.Skaf, M.F.Crowley, A.W.Thorne, C.W.Johnson, H.L.Woodcock, J.E.Mcgeehan, G.T.Beckham. Characterization and Engineering of A Plastic-Degrading Aromatic Polyesterase. Proc. Natl. Acad. Sci. V. 115 E4350 2018U.S.A..
ISSN: ESSN 1091-6490
PubMed: 29666242
DOI: 10.1073/PNAS.1718804115