Chlorine in PDB 8b4u: The Crystal Structure of PET46, A Petase Enzyme From Candidatus Bathyarchaeota

The structure of The Crystal Structure of PET46, A Petase Enzyme From Candidatus Bathyarchaeota, PDB code: 8b4u was solved by E.Costanzi, V.Applegate, J.Schumacher, S.H.J.Smits, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.38 / 1.71
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	79.292, 79.292, 171.546, 90, 90, 120
R / Rfree (%)	15.2 / 17.3

The binding sites of Chlorine atom in the The Crystal Structure of PET46, A Petase Enzyme From Candidatus Bathyarchaeota (pdb code 8b4u). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the The Crystal Structure of PET46, A Petase Enzyme From Candidatus Bathyarchaeota, PDB code: 8b4u:

Chlorine binding site 1 out of 1 in the The Crystal Structure of PET46, A Petase Enzyme From Candidatus Bathyarchaeota


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 PET46, A Petase Enzyme From Candidatus Bathyarchaeota within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl325 b:64.3 occ:1.00 HA3 A:GLY86 3.3 31.4 1.0 HH22 A:ARG70 3.3 31.9 1.0 HH12 A:ARG70 3.4 31.9 1.0 O A:HOH586 3.4 39.6 1.0 OE2 A:GLU10 3.5 56.9 1.0 O A:HOH495 3.5 33.4 1.0 OG1 A:THR83 3.6 27.8 1.0 O A:HOH508 3.7 35.0 1.0 HG1 A:THR83 3.7 33.4 1.0 HG23 A:THR83 3.7 32.2 1.0 O A:ASP81 3.9 29.3 1.0 CA A:GLY86 4.1 26.1 1.0 HA2 A:GLY86 4.1 31.4 1.0 H A:THR83 4.1 29.3 1.0 NH2 A:ARG70 4.1 26.6 1.0 NH1 A:ARG70 4.2 26.6 1.0 CD A:GLU10 4.2 44.2 1.0 OE1 A:GLU10 4.2 44.8 1.0 H A:GLY86 4.3 28.1 1.0 H12 A:EDO312 4.4 59.1 1.0 CG2 A:THR83 4.4 26.8 1.0 O A:HOH523 4.4 40.7 1.0 HA A:MET82 4.4 31.2 0.6 HG21 A:THR83 4.5 32.2 1.0 HA A:MET82 4.5 31.2 0.4 N A:THR83 4.5 24.4 1.0 CB A:THR83 4.5 26.9 1.0 CZ A:ARG70 4.6 24.4 1.0 N A:GLY86 4.6 23.4 1.0 HH21 A:ARG70 4.7 31.9 1.0 H22 A:EDO312 4.8 73.2 1.0 HH11 A:ARG70 4.8 31.9 1.0 C A:ASP81 5.0 27.5 1.0

E.Costanzi, V.Applegate, J.Schumacher, S.H.J.Smits. The Crystal Structure of PET46, A Petase Enzyme From Candidatus Bathyarchaeota To Be Published.