Chlorine in PDB 6q4s: Crystal Structure of A-Eudesmol Synthase

All present enzymatic activity of Crystal Structure of A-Eudesmol Synthase:
4.2.3.7;

The structure of Crystal Structure of A-Eudesmol Synthase, PDB code: 6q4s was solved by R.S.Correia Cordeiro, M.Hakansson, D.T.Logan, R.Kourist, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.38 / 1.83
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	103.140, 103.140, 139.665, 90.00, 90.00, 120.00
R / Rfree (%)	19.7 / 24.1

The binding sites of Chlorine atom in the Crystal Structure of A-Eudesmol Synthase (pdb code 6q4s). 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 A-Eudesmol Synthase, PDB code: 6q4s:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of A-Eudesmol Synthase


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-Eudesmol Synthase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:40.6 occ:1.00 OG A:SER193 2.8 34.6 0.5 O A:HOH606 2.9 41.2 1.0 OG A:SER193 3.2 32.6 0.5 N A:HIS60 3.2 40.7 1.0 C A:TYR58 3.4 35.6 1.0 N A:PRO59 3.5 33.0 1.0 CA A:TYR58 3.5 30.7 1.0 O A:HOH636 3.5 48.3 1.0 CB A:HIS60 3.5 41.9 1.0 CD A:PRO59 3.7 35.8 1.0 CB A:SER193 3.7 36.0 0.5 CA A:HIS60 3.8 40.0 1.0 CB A:SER193 3.8 36.2 0.5 O A:TYR58 3.9 31.7 1.0 CD2 A:HIS60 3.9 51.6 1.0 CG A:HIS60 4.1 50.9 1.0 CB A:TYR58 4.1 31.7 1.0 CB A:ARG194 4.2 39.0 1.0 C A:HIS60 4.2 42.4 1.0 N A:ALA61 4.2 36.1 1.0 C A:PRO59 4.2 37.1 1.0 CG A:PRO59 4.4 36.8 1.0 CA A:PRO59 4.4 37.8 1.0 N A:ARG194 4.5 33.5 1.0 O A:GLY190 4.5 37.9 1.0 C A:SER193 4.5 35.7 0.5 CD1 A:TYR58 4.6 31.3 1.0 ND1 A:HIS303 4.6 39.4 1.0 C A:SER193 4.6 34.9 0.5 O A:THR57 4.7 27.6 1.0 CA A:ARG194 4.7 39.8 1.0 CG A:ARG194 4.7 46.2 1.0 N A:TYR58 4.8 27.8 1.0 CD A:ARG194 4.8 45.9 1.0 O A:SER193 4.8 40.8 0.5 CA A:SER193 4.8 34.6 0.5 CA A:SER193 4.9 34.6 0.5 CG A:TYR58 4.9 28.7 1.0 CE1 A:HIS303 4.9 43.3 1.0 O A:HIS60 5.0 39.9 1.0 O A:HOH545 5.0 39.6 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of A-Eudesmol Synthase


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-Eudesmol Synthase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:63.9 occ:1.00 N A:GLU197 3.2 37.1 1.0 NE A:ARG293 3.3 41.2 1.0 CD A:ARG293 3.5 44.6 1.0 CA A:PHE196 3.5 35.0 1.0 CB A:PHE196 3.7 37.8 1.0 O A:GLU197 3.7 42.8 1.0 C A:PHE196 3.8 34.5 1.0 CG A:ARG293 3.8 41.5 1.0 CZ A:ARG293 4.1 47.2 1.0 CA A:GLU197 4.2 39.9 1.0 C A:GLU197 4.4 42.4 1.0 CB A:GLU197 4.5 45.7 1.0 NH2 A:ARG293 4.5 45.0 1.0 N A:PHE196 4.8 37.4 1.0 O A:GLY195 4.9 44.8 1.0 CB A:ARG293 4.9 41.5 1.0 NH1 A:ARG293 4.9 46.8 1.0 CG A:PHE196 4.9 37.1 1.0 O A:PHE196 5.0 38.3 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of A-Eudesmol Synthase


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 A-Eudesmol Synthase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:82.0 occ:1.00 O A:HOH668 3.5 55.3 1.0 CE1 A:HIS185 3.6 29.0 1.0 CB A:ALA76 4.1 46.6 1.0 CE2 A:TRP72 4.3 36.1 1.0 CZ2 A:TRP72 4.3 38.3 1.0 OG A:SER186 4.4 26.4 1.0 ND1 A:HIS185 4.4 34.4 1.0 CH2 A:TRP72 4.5 40.0 1.0 CA A:PHE73 4.6 46.3 1.0 CD2 A:TRP72 4.6 36.2 1.0 NE2 A:HIS185 4.6 34.3 1.0 NE1 A:TRP72 4.7 34.1 1.0 CZ3 A:TRP146 4.8 29.3 1.0 CZ3 A:TRP72 4.8 35.2 1.0 CE3 A:TRP72 4.9 34.8 1.0 O A:TRP72 4.9 35.6 1.0 O A:PHE73 5.0 39.8 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of A-Eudesmol Synthase


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 A-Eudesmol Synthase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:89.6 occ:1.00 O A:THR167 4.1 52.8 1.0 CA A:GLY169 4.2 37.6 1.0 NE A:ARG246 4.2 65.6 1.0 N A:GLY169 4.3 35.3 1.0 O A:LEU168 4.4 42.9 1.0 C A:LEU168 4.5 38.4 1.0 C A:THR167 4.7 53.7 1.0 NH2 A:ARG246 4.8 58.1 1.0 O A:GLY166 4.9 50.0 1.0 CD A:ARG246 5.0 68.7 1.0

O.N.Kracht, R.S.Correia Cordeiro, M.Hakansson, J.Stockmann, D.Sander, J.Bandow, C.H.R.Senges, D.T.Logan, R.Kourist. Discovery of Three Novel Sesquiterpene Synthases From Streptomyces Chartreusis Nrrl 3882 and Crystal Structure of An Alpha-Eudesmol Synthase. J.Biotechnol. V. 297 71 2019.
ISSN: ISSN 0168-1656
PubMed: 30928538
DOI: 10.1016/J.JBIOTEC.2019.03.006