Chlorine in PDB 8paj: Crystal Structure of A Squalene-Hopene Cyclase From Archangium Gephyra

The structure of Crystal Structure of A Squalene-Hopene Cyclase From Archangium Gephyra, PDB code: 8paj was solved by H.L.Worthy, M.N.Isupov, J.A.Littlechild, D.E.Mitchell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.87 / 1.46
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	92.958, 84.165, 87.968, 90, 94.2, 90
R / Rfree (%)	15.9 / 19.9

The binding sites of Chlorine atom in the Crystal Structure of A Squalene-Hopene Cyclase From Archangium Gephyra (pdb code 8paj). 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 Squalene-Hopene Cyclase From Archangium Gephyra, PDB code: 8paj:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of A Squalene-Hopene Cyclase From Archangium Gephyra


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 Squalene-Hopene Cyclase From Archangium Gephyra within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl408 b:35.7 occ:1.00 H A:LEU114 2.3 18.4 1.0 O A:HOH871 2.7 40.7 1.0 OG A:SER72 2.8 17.6 1.0 HB2 A:LEU114 2.9 21.5 1.0 HB2 A:SER113 2.9 18.8 1.0 HG A:SER72 3.1 30.0 0.0 N A:LEU114 3.2 18.7 1.0 HD13 A:LEU114 3.4 24.0 1.0 HG A:LEU114 3.4 21.3 1.0 HB3 A:SER72 3.6 18.0 1.0 CB A:LEU114 3.6 21.4 1.0 HH2 A:TRP99 3.6 17.2 1.0 CB A:SER72 3.7 17.6 1.0 O A:HOH626 3.7 29.9 1.0 CB A:SER113 3.9 18.5 1.0 HA A:SER113 3.9 17.1 1.0 CG A:LEU114 3.9 21.7 1.0 HB2 A:SER72 3.9 17.5 1.0 HZ2 A:TRP99 4.0 18.4 1.0 CA A:LEU114 4.0 19.5 1.0 CD1 A:LEU114 4.1 24.5 1.0 HG A:SER113 4.1 30.0 0.0 H A:ALA115 4.2 19.6 1.0 CA A:SER113 4.2 17.3 1.0 C A:SER113 4.2 17.7 1.0 O A:HOH688 4.3 26.8 1.0 CH2 A:TRP99 4.4 17.4 1.0 HB3 A:LEU114 4.4 21.9 1.0 HG3 A:GLN73 4.5 16.3 1.0 HB3 A:SER113 4.5 18.2 1.0 OG A:SER113 4.6 20.2 1.0 CZ2 A:TRP99 4.6 18.1 1.0 HD11 A:LEU114 4.7 23.6 1.0 HA A:LEU114 4.7 19.4 1.0 HD12 A:LEU114 4.8 24.7 1.0 N A:ALA115 4.9 19.8 1.0 H A:SER72 4.9 17.1 1.0 H A:GLN73 4.9 16.8 1.0 C A:LEU114 4.9 20.2 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of A Squalene-Hopene Cyclase From Archangium Gephyra


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 Squalene-Hopene Cyclase From Archangium Gephyra within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl407 b:27.8 occ:1.00 H B:LEU114 2.5 18.1 1.0 OG B:SER72 2.8 17.5 1.0 HG B:SER72 3.0 30.0 0.0 O B:HOH810 3.0 36.0 1.0 HB2 B:LEU114 3.0 19.9 1.0 HB2 B:SER113 3.2 18.2 1.0 HG B:LEU114 3.3 20.4 1.0 HH2 B:TRP99 3.3 16.2 1.0 O B:HOH643 3.3 31.1 1.0 HD13 B:LEU114 3.3 22.6 1.0 N B:LEU114 3.4 18.4 1.0 HZ2 B:TRP99 3.5 17.2 1.0 HB3 B:SER72 3.6 17.4 1.0 CB B:LEU114 3.7 19.2 1.0 CB B:SER72 3.7 16.8 1.0 CG B:LEU114 3.8 21.0 1.0 HB2 B:SER72 3.8 17.0 1.0 HA B:SER113 4.0 16.7 1.0 O B:HOH660 4.0 28.8 1.0 CD1 B:LEU114 4.0 22.6 1.0 CH2 B:TRP99 4.0 16.5 1.0 CB B:SER113 4.1 18.1 1.0 CZ2 B:TRP99 4.1 16.8 1.0 CA B:LEU114 4.1 18.7 1.0 HG3 B:GLN73 4.3 15.6 1.0 HD11 B:LEU114 4.3 21.9 1.0 CA B:SER113 4.3 17.0 1.0 C B:SER113 4.3 16.9 1.0 HG B:SER113 4.4 30.0 0.0 H B:ALA115 4.5 19.4 1.0 HB3 B:LEU114 4.5 20.0 1.0 HB3 B:SER113 4.7 17.8 1.0 HD12 B:LEU114 4.8 22.9 1.0 OG B:SER113 4.8 18.5 1.0 HA B:LEU114 4.8 18.5 1.0 H B:GLN73 4.9 15.8 1.0 HD3 B:ARG54 5.0 21.5 1.0

H.L.Worthy, D.E.Mitchell, M.N.Isupov, J.A.Littlechild. Structure of A Mesophilic Squalene-Hopene Cyclases From Cystobacter Fuscus and Archangium Gephyra To Be Published.