Chlorine in PDB 5guk: Crystal Structure of Apo Form of Cyclolavandulyl Diphosphate Synthase (Clds) From Streptomyces Sp. CL190

The structure of Crystal Structure of Apo Form of Cyclolavandulyl Diphosphate Synthase (Clds) From Streptomyces Sp. CL190, PDB code: 5guk was solved by T.Tomita, M.Kobayashi, M.Nishiyama, T.Kuzuyama, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	69.32 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	39.025, 87.514, 113.548, 90.00, 90.00, 90.00
R / Rfree (%)	19.2 / 23.5

The binding sites of Chlorine atom in the Crystal Structure of Apo Form of Cyclolavandulyl Diphosphate Synthase (Clds) From Streptomyces Sp. CL190 (pdb code 5guk). 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 Apo Form of Cyclolavandulyl Diphosphate Synthase (Clds) From Streptomyces Sp. CL190, PDB code: 5guk:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Apo Form of Cyclolavandulyl Diphosphate Synthase (Clds) From Streptomyces Sp. CL190


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 Apo Form of Cyclolavandulyl Diphosphate Synthase (Clds) From Streptomyces Sp. CL190 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:30.4 occ:1.00 OG A:SER171 2.7 22.5 1.0 NH2 A:ARG169 3.2 25.7 1.0 NH1 B:ARG211 3.2 42.2 1.0 NH2 A:ARG163 3.2 31.9 1.0 NE A:ARG169 3.5 21.6 1.0 CB A:SER171 3.7 21.9 1.0 CZ A:ARG169 3.8 24.8 1.0 CD B:ARG211 3.8 42.7 1.0 CE1 B:TYR180 4.1 27.2 1.0 CZ A:ARG163 4.2 31.7 1.0 NH1 A:ARG163 4.2 30.9 1.0 CZ B:ARG211 4.3 44.1 1.0 CD1 B:TYR180 4.5 26.0 1.0 NE B:ARG211 4.5 42.2 1.0 OD2 A:ASP9 4.7 29.0 1.0 CD A:ARG169 4.7 23.3 1.0 O B:HOH406 4.8 20.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Apo Form of Cyclolavandulyl Diphosphate Synthase (Clds) From Streptomyces Sp. CL190


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 Apo Form of Cyclolavandulyl Diphosphate Synthase (Clds) From Streptomyces Sp. CL190 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:30.2 occ:1.00 OG B:SER171 2.9 26.2 1.0 NH2 B:ARG163 3.1 27.2 1.0 NH1 A:ARG211 3.3 46.0 1.0 NH2 B:ARG169 3.3 29.1 1.0 NE B:ARG169 3.4 26.4 1.0 CZ B:ARG169 3.8 28.1 1.0 CD A:ARG211 3.8 41.3 1.0 CB B:SER171 3.8 24.1 1.0 CZ B:ARG163 4.1 27.8 1.0 NH1 B:ARG163 4.2 26.7 1.0 CE1 A:TYR180 4.2 29.8 1.0 CZ A:ARG211 4.3 45.2 1.0 NE A:ARG211 4.5 42.0 1.0 CD B:ARG169 4.5 27.0 1.0 CD1 A:TYR180 4.5 27.1 1.0 OD2 B:ASP9 4.8 31.0 1.0 O B:HOH405 4.9 22.4 1.0

T.Tomita, M.Kobayashi, Y.Karita, Y.Yasuno, T.Shinada, M.Nishiyama, T.Kuzuyama. Structure and Mechanism of the Monoterpene Cyclolavandulyl Diphosphate Synthase That Catalyzes Consecutive Condensation and Cyclization. Angew. Chem. Int. Ed. Engl. V. 56 14913 2017.
ISSN: ESSN 1521-3773
PubMed: 28922556
DOI: 10.1002/ANIE.201708474