Chlorine in PDB 7vwn: The Structure of An Engineered Pet Hydrolase

All present enzymatic activity of The Structure of An Engineered Pet Hydrolase:
3.1.1.101;

The structure of The Structure of An Engineered Pet Hydrolase, PDB code: 7vwn was solved by W.Xie, Q.Jia, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.95 / 1.45
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	115.588, 50.536, 41.37, 90, 92.46, 90
R / Rfree (%)	15.5 / 17.9

The binding sites of Chlorine atom in the The Structure of An Engineered Pet Hydrolase (pdb code 7vwn). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the The Structure of An Engineered Pet Hydrolase, PDB code: 7vwn:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the The Structure of An Engineered Pet Hydrolase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Structure of An Engineered Pet Hydrolase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:15.8 occ:1.00 OG A:SER160 3.0 14.8 1.0 O A:HOH490 3.2 21.2 1.0 N A:TYR87 3.3 13.6 1.0 N A:MET161 3.3 11.5 1.0 CG A:MET161 3.4 14.1 1.0 CB A:SER160 3.4 12.9 1.0 CB A:TYR87 3.5 14.5 1.0 CB A:MET161 3.6 13.5 1.0 CA A:TYR87 4.0 14.8 1.0 CA A:MET161 4.1 12.3 1.0 SD A:MET161 4.1 16.4 1.0 CA A:GLY86 4.1 14.7 1.0 C A:GLY86 4.2 13.5 1.0 C A:SER160 4.2 11.9 1.0 CA A:SER160 4.4 13.9 1.0 O A:HOH476 4.4 30.1 1.0 CE A:MET161 4.6 17.5 1.0 CG A:TYR87 4.7 14.7 1.0 O A:TYR87 4.9 16.3 1.0 CB A:TRP185 4.9 16.4 1.0 NE2 A:HIS237 4.9 16.9 1.0 C A:TYR87 5.0 15.3 1.0

Chlorine binding site 2 out of 3 in the The Structure of An Engineered Pet Hydrolase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Structure of An Engineered Pet Hydrolase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:34.3 occ:1.00 N A:HIS237 3.3 19.3 1.0 N A:SER207 3.4 24.1 0.4 N A:SER207 3.4 22.5 0.6 OG A:SER207 3.5 32.7 0.6 CB A:HIS237 3.6 18.0 1.0 OG A:SER207 3.7 33.5 0.4 CA A:ASP206 4.0 21.8 1.0 O A:ASN205 4.0 26.6 1.0 CA A:HIS237 4.1 17.3 1.0 CA A:SER236 4.2 20.8 1.0 C A:SER236 4.2 21.5 1.0 C A:ASP206 4.2 23.8 1.0 CB A:SER236 4.2 24.3 1.0 CG1 A:ILE208 4.2 28.0 1.0 CB A:SER207 4.2 31.1 0.6 CB A:SER207 4.3 30.9 0.4 CA A:SER207 4.3 25.4 0.4 CA A:SER207 4.3 24.8 0.6 OD1 A:ASP206 4.3 19.7 1.0 N A:ILE208 4.4 22.4 1.0 O A:HOH595 4.6 31.8 1.0 C A:SER207 4.8 25.7 0.6 C A:ASN205 4.8 23.8 1.0 C A:SER207 4.8 26.0 0.4 N A:ASP206 4.8 21.4 1.0 CG A:ASP206 4.9 18.2 1.0 CG A:HIS237 4.9 17.8 1.0 CD1 A:ILE208 5.0 32.2 1.0

Chlorine binding site 3 out of 3 in the The Structure of An Engineered Pet Hydrolase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Structure of An Engineered Pet Hydrolase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:46.5 occ:1.00 NH1 A:ARG168 3.2 21.3 1.0 O A:HOH577 3.2 29.4 1.0 OG A:SER121 3.7 23.8 1.0 ND2 A:ASN172 3.8 22.4 1.0 CD A:ARG168 3.9 14.7 1.0 CB A:SER121 4.0 17.6 1.0 CZ A:ARG168 4.3 21.5 1.0 CG A:ARG168 4.3 11.6 1.0 CA A:SER121 4.3 13.6 1.0 CB A:ARG168 4.4 11.6 1.0 O A:HOH621 4.4 44.1 1.0 O A:HOH454 4.5 20.8 1.0 NE A:ARG168 4.5 15.8 1.0 CG A:ASN172 5.0 19.7 1.0

W.Xie, Q.Jia. An Engineered Pet Hydrolase For Biodegradation of Microplastics in Ocean Water To Be Published.