Chlorine in PDB 8gol: Crystal Structure of Sule

The structure of Crystal Structure of Sule, PDB code: 8gol was solved by B.Liu, T.Ran, W.Wang, J.He, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.78 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	55.422, 166.661, 76.965, 90, 109.74, 90
R / Rfree (%)	15.1 / 18.1

The binding sites of Chlorine atom in the Crystal Structure of Sule (pdb code 8gol). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Sule, PDB code: 8gol:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Sule


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 Sule within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:61.4 occ:1.00 CL A:IJC401 0.0 61.4 1.0 C9 A:IJC401 1.8 35.9 1.0 O A:HOH863 2.7 32.9 1.0 N2 A:IJC401 2.7 35.6 1.0 C10 A:IJC401 2.8 34.7 1.0 O A:HOH879 2.9 36.4 1.0 O A:HOH589 3.1 23.3 1.0 O A:HOH576 3.6 24.5 1.0 CD A:PRO258 4.0 20.0 1.0 C8 A:IJC401 4.0 40.0 1.0 C11 A:IJC401 4.0 33.6 1.0 O A:HOH848 4.2 33.1 1.0 CG A:PHE257 4.2 16.8 1.0 CD1 A:PHE257 4.3 20.7 1.0 CB A:PHE257 4.3 13.4 1.0 N3 A:IJC401 4.5 37.0 1.0 O A:HOH840 4.7 36.7 1.0 CD2 A:PHE257 4.7 17.0 1.0 CA A:PHE257 4.8 14.6 1.0 CE1 A:PHE257 4.8 23.2 1.0 CG A:PRO258 4.9 23.1 1.0 N A:PRO258 4.9 15.8 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Sule


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 Sule within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:66.2 occ:1.00 CL B:IJC401 0.0 66.2 1.0 C9 B:IJC401 1.8 40.0 1.0 C10 B:IJC401 2.7 38.4 1.0 N2 B:IJC401 2.8 38.6 1.0 O B:HOH854 3.0 31.8 1.0 O B:HOH560 3.6 25.3 1.0 O B:HOH826 3.6 35.8 1.0 CD B:PRO258 3.7 18.9 1.0 CD1 B:PHE257 4.0 20.4 1.0 C8 B:IJC401 4.0 39.1 1.0 C11 B:IJC401 4.0 40.1 1.0 CG B:PHE257 4.2 14.4 1.0 O B:HOH555 4.3 25.6 1.0 CE1 B:PHE257 4.4 22.9 1.0 CB B:PHE257 4.5 14.7 1.0 N3 B:IJC401 4.5 36.4 1.0 CA B:PHE257 4.6 13.1 1.0 CG B:PRO258 4.6 20.8 1.0 N B:PRO258 4.8 16.9 1.0 CD2 B:PHE257 4.9 14.4 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Sule


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Sule within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl401 b:61.7 occ:1.00 CL C:IJC401 0.0 61.7 1.0 C9 C:IJC401 1.8 37.7 1.0 C10 C:IJC401 2.7 36.9 1.0 N2 C:IJC401 2.8 31.9 1.0 O C:HOH847 3.0 33.0 1.0 O C:HOH528 3.6 26.7 1.0 O C:HOH819 3.6 31.2 1.0 CD C:PRO258 3.9 21.4 1.0 O C:HOH608 3.9 24.0 1.0 C8 C:IJC401 4.0 38.9 1.0 CD1 C:PHE257 4.0 20.4 1.0 C11 C:IJC401 4.0 34.3 1.0 CG C:PHE257 4.2 18.3 1.0 CB C:PHE257 4.4 17.4 1.0 N3 C:IJC401 4.5 36.5 1.0 CE1 C:PHE257 4.5 21.7 1.0 CA C:PHE257 4.6 16.1 1.0 CG C:PRO258 4.7 21.1 1.0 CD2 C:PHE257 4.8 16.6 1.0 N C:PRO258 4.8 16.4 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Sule


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Sule within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl401 b:64.1 occ:1.00 CL D:IJC401 0.0 64.1 1.0 C9 D:IJC401 1.8 35.3 1.0 N2 D:IJC401 2.7 37.2 1.0 C10 D:IJC401 2.8 38.3 1.0 O D:HOH854 2.8 35.8 1.0 O D:HOH844 3.1 31.3 1.0 O D:HOH626 3.3 26.0 1.0 CD D:PRO258 3.7 22.3 1.0 O D:HOH583 3.9 21.6 1.0 CD1 D:PHE257 4.0 20.3 1.0 C8 D:IJC401 4.0 35.5 1.0 C11 D:IJC401 4.0 35.1 1.0 CG D:PHE257 4.1 15.5 1.0 CB D:PHE257 4.2 15.6 1.0 N3 D:IJC401 4.5 41.2 1.0 CA D:PHE257 4.5 17.5 1.0 CE1 D:PHE257 4.5 23.5 1.0 CG D:PRO258 4.6 22.3 1.0 CD2 D:PHE257 4.7 15.2 1.0 N D:PRO258 4.7 17.8 1.0

B.Liu, W.Wang, J.Qiu, X.Huang, S.Qiu, Y.Bao, S.Xu, L.Ruan, T.Ran, J.He. Crystal Structures of Herbicide-Detoxifying Esterase Reveal A Lid Loop Affecting Substrate Binding and Activity. Nat Commun V. 14 4343 2023.
ISSN: ESSN 2041-1723
PubMed: 37468532
DOI: 10.1038/S41467-023-40103-5