Chlorine in PDB 8otu: The Crystal Structure of PET44, A Petase Enzyme From Alkalilimnicola Ehrlichii

The structure of The Crystal Structure of PET44, A Petase Enzyme From Alkalilimnicola Ehrlichii, PDB code: 8otu was solved by E.Costanzi, V.Applegate, S.H.J.Smits, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.31 / 1.40
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	141.133, 45.66, 84.187, 90, 97.83, 90
R / Rfree (%)	13.2 / 15

The structure of The Crystal Structure of PET44, A Petase Enzyme From Alkalilimnicola Ehrlichii also contains other interesting chemical elements:

Sodium

(Na)

3 atoms

The binding sites of Chlorine atom in the The Crystal Structure of PET44, A Petase Enzyme From Alkalilimnicola Ehrlichii (pdb code 8otu). 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 Crystal Structure of PET44, A Petase Enzyme From Alkalilimnicola Ehrlichii, PDB code: 8otu:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the The Crystal Structure of PET44, A Petase Enzyme From Alkalilimnicola Ehrlichii


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of PET44, A Petase Enzyme From Alkalilimnicola Ehrlichii within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl418 b:24.3 occ:1.00 HH21 A:ARG180 2.5 24.8 1.0 H A:THR198 2.5 25.4 1.0 HD3 A:PRO133 2.9 24.3 1.0 OG1 A:THR198 2.9 32.5 1.0 HD2 A:PRO132 2.9 23.2 1.0 HG2 A:PRO132 3.0 23.8 1.0 HB2 A:PRO132 3.0 22.2 1.0 HG1 A:THR198 3.0 39.1 1.0 O A:HOH729 3.1 31.5 1.0 HZ3 A:TRP196 3.1 26.8 1.0 NH2 A:ARG180 3.2 20.7 1.0 N A:THR198 3.3 21.2 1.0 HB A:THR198 3.3 31.9 1.0 HE A:ARG180 3.5 22.6 1.0 OD1 A:ASN197 3.5 18.6 1.0 CG A:PRO132 3.5 19.8 1.0 CB A:THR198 3.6 26.6 1.0 HH22 A:ARG180 3.6 24.8 1.0 HA A:ASN197 3.6 22.0 1.0 CD A:PRO132 3.6 19.4 1.0 CB A:PRO132 3.7 18.5 1.0 CD A:PRO133 3.9 20.2 1.0 CG A:ASN197 4.0 20.0 1.0 CZ3 A:TRP196 4.0 22.3 1.0 CZ A:ARG180 4.0 18.3 1.0 NE A:ARG180 4.0 18.8 1.0 CA A:THR198 4.0 23.7 1.0 HG3 A:PRO133 4.1 27.9 1.0 HD2 A:PRO133 4.2 24.3 1.0 C A:ASN197 4.3 19.6 1.0 HD21 A:ASN197 4.3 23.9 1.0 HB3 A:PRO132 4.3 22.2 1.0 CA A:ASN197 4.3 18.4 1.0 HD3 A:PRO132 4.3 23.2 1.0 ND2 A:ASN197 4.4 19.9 1.0 CG A:PRO133 4.4 23.3 1.0 HG3 A:PRO132 4.4 23.8 1.0 N A:PRO132 4.5 18.8 1.0 HA A:THR198 4.5 28.5 1.0 HG2 A:PRO133 4.6 27.9 1.0 HB3 A:GLN131 4.6 26.9 1.0 HE3 A:TRP196 4.6 22.9 1.0 HH2 A:TRP196 4.7 28.9 1.0 CA A:PRO132 4.7 18.5 1.0 CE3 A:TRP196 4.7 19.1 1.0 CB A:ASN197 4.8 20.1 1.0 CH2 A:TRP196 4.8 24.1 1.0 N A:PRO133 4.8 19.4 1.0 H A:SER199 4.9 26.9 1.0 HD22 A:ASN197 4.9 23.9 1.0 CG2 A:THR198 5.0 29.9 1.0

Chlorine binding site 2 out of 3 in the The Crystal Structure of PET44, A Petase Enzyme From Alkalilimnicola Ehrlichii


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of PET44, A Petase Enzyme From Alkalilimnicola Ehrlichii within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl419 b:26.1 occ:0.80 H A:HIS250 2.3 19.5 1.0 O A:HOH511 2.7 32.2 1.0 H A:SER219 3.0 24.8 0.3 HB2 A:ASN249 3.0 20.3 1.0 H A:SER219 3.0 24.4 0.7 HG A:SER219 3.0 31.3 0.7 HB2 A:HIS250 3.1 19.8 1.0 N A:HIS250 3.1 16.2 1.0 HA A:ASN249 3.3 18.7 1.0 HA A:ASP218 3.4 23.7 1.0 HB3 A:HIS250 3.4 19.8 1.0 HG12 A:ILE220 3.5 33.5 1.0 CB A:HIS250 3.6 16.5 1.0 CB A:ASN249 3.8 16.9 1.0 OG A:SER219 3.8 26.1 0.7 N A:SER219 3.8 20.7 0.3 N A:SER219 3.8 20.3 0.7 CA A:ASN249 3.9 15.6 1.0 HB2 A:SER219 3.9 34.6 0.3 C A:ASN249 3.9 16.1 1.0 CA A:HIS250 3.9 15.3 1.0 H A:ILE220 4.3 26.1 1.0 CA A:ASP218 4.3 19.7 1.0 HB3 A:ASN249 4.3 20.3 1.0 HA A:HIS250 4.4 18.4 1.0 CG1 A:ILE220 4.4 27.9 1.0 O A:ARG217 4.4 22.4 1.0 OD1 A:ASP218 4.5 19.3 1.0 C A:ASP218 4.6 22.3 1.0 CB A:SER219 4.6 28.9 0.3 HD1 A:TYR251 4.6 21.3 1.0 HG13 A:ILE220 4.6 33.5 1.0 HE1 A:TYR251 4.6 22.9 1.0 HO1 A:EDO413 4.6 51.9 1.0 CB A:SER219 4.7 29.6 0.7 CA A:SER219 4.7 22.1 0.3 HB3 A:SER219 4.7 35.5 0.7 CA A:SER219 4.8 20.6 0.7 H A:TYR251 4.8 19.2 1.0 HD11 A:ILE220 4.8 41.5 1.0 CG A:ASN249 4.8 16.5 1.0 N A:ILE220 4.9 21.7 1.0 OG A:SER219 4.9 28.0 0.3 OD1 A:ASN249 4.9 17.0 1.0 CG A:HIS250 4.9 17.9 1.0

Chlorine binding site 3 out of 3 in the The Crystal Structure of PET44, A Petase Enzyme From Alkalilimnicola Ehrlichii


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Crystal Structure of PET44, A Petase Enzyme From Alkalilimnicola Ehrlichii within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl412 b:40.4 occ:1.00 H B:SER219 2.3 30.7 1.0 HG B:SER219 2.3 49.5 1.0 H B:HIS250 2.5 29.1 1.0 HB2 B:ASN249 2.9 34.1 1.0 HB2 B:HIS250 3.0 30.1 1.0 HA B:ASP218 3.0 30.1 1.0 O B:HOH644 3.1 56.1 1.0 OG B:SER219 3.2 41.3 1.0 N B:SER219 3.2 25.6 1.0 N B:HIS250 3.2 24.3 1.0 HG13 B:ILE220 3.6 42.8 1.0 HA B:ASN249 3.6 31.4 1.0 HB3 B:HIS250 3.6 30.1 1.0 CB B:HIS250 3.6 25.1 1.0 O B:HOH720 3.7 59.1 1.0 CB B:ASN249 3.7 28.4 1.0 H B:ILE220 3.8 32.8 1.0 CA B:ASP218 3.9 25.1 1.0 CB B:SER219 4.0 36.7 1.0 CA B:ASN249 4.0 26.2 1.0 HB3 B:SER219 4.0 44.0 1.0 C B:ASP218 4.0 28.1 1.0 O B:ARG217 4.0 33.5 1.0 CA B:HIS250 4.0 22.1 1.0 CA B:SER219 4.1 29.6 1.0 C B:ASN249 4.1 23.6 1.0 OD1 B:ASP218 4.1 25.8 1.0 HB3 B:ASN249 4.2 34.1 1.0 HD12 B:ILE220 4.2 43.6 1.0 HD11 B:ILE220 4.3 43.6 1.0 N B:ILE220 4.3 27.3 1.0 CG1 B:ILE220 4.4 35.7 1.0 HA B:HIS250 4.4 26.5 1.0 CD1 B:ILE220 4.5 36.3 1.0 HB B:ILE220 4.6 36.2 1.0 C B:SER219 4.6 29.5 1.0 N B:ASP218 4.7 25.9 1.0 C B:ARG217 4.7 28.6 1.0 CG B:ASP218 4.8 24.7 1.0 CG B:ASN249 4.8 30.3 1.0 HB2 B:SER219 4.9 44.0 1.0 HA B:SER219 4.9 35.6 1.0 CB B:ASP218 4.9 23.9 1.0 CG B:HIS250 4.9 23.7 1.0 CB B:ILE220 5.0 30.2 1.0

E.Costanzi, V.Applegate, S.H.J.Smits. The Crystal Structure of PET44, A Petase Enzyme From Alkalilimnicola Ehrlichii To Be Published.