Chlorine in PDB 3s3l: Crystal Structure of Cerj From Streptomyces Tendae

The structure of Crystal Structure of Cerj From Streptomyces Tendae, PDB code: 3s3l was solved by G.Zocher, C.Hertweck, T.Bretschneider, T.Stehle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.19 / 2.00
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	105.410, 105.410, 120.920, 90.00, 90.00, 90.00
R / Rfree (%)	16.2 / 20.8

The binding sites of Chlorine atom in the Crystal Structure of Cerj From Streptomyces Tendae (pdb code 3s3l). 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 Cerj From Streptomyces Tendae, PDB code: 3s3l:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Cerj From Streptomyces Tendae


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 Cerj From Streptomyces Tendae within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl358 b:34.4 occ:1.00 O A:HOH583 3.0 33.2 1.0 O A:HOH479 3.2 29.7 1.0 N A:ASP215 3.2 26.2 1.0 NE A:ARG219 3.2 25.3 1.0 NH1 A:ARG219 3.6 26.9 1.0 NH2 A:ARG152 3.6 26.5 1.0 CA A:ALA214 3.8 24.2 1.0 CZ A:ARG219 3.9 28.0 1.0 O A:ASP215 3.9 28.1 1.0 C A:ALA214 4.0 24.4 1.0 C A:ASP215 4.1 28.5 1.0 NH1 A:ARG152 4.2 28.7 1.0 CA A:ASP215 4.2 27.2 1.0 CG A:ARG219 4.2 27.4 1.0 CZ A:ARG152 4.3 27.9 1.0 CB A:ALA214 4.3 20.7 1.0 CD A:ARG219 4.3 25.5 1.0 OE1 A:GLU201 4.5 39.0 1.0 CD A:GLU201 4.6 33.7 1.0 O A:HOH375 4.6 36.4 1.0 CB A:ASP215 4.7 31.6 1.0 O A:VAL213 4.7 26.2 1.0 N A:LEU216 4.7 26.1 1.0 CD2 A:LEU216 4.8 29.7 1.0 O A:HOH400 4.8 42.1 1.0 N A:ALA214 4.9 23.9 1.0 CG A:GLU201 5.0 31.6 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Cerj From Streptomyces Tendae


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 Cerj From Streptomyces Tendae within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl359 b:65.7 occ:1.00 NH1 A:ARG34 3.2 29.6 1.0 NE A:ARG38 3.4 27.0 1.0 CG A:ARG34 3.5 23.7 1.0 NH2 A:ARG38 3.5 29.3 1.0 CD A:ARG34 3.7 25.0 1.0 CB A:ARG34 3.7 26.5 1.0 CZ A:ARG38 3.9 29.8 1.0 CD2 A:LEU37 4.0 27.3 1.0 CA A:ARG34 4.2 24.6 1.0 CZ A:ARG34 4.3 24.1 1.0 NE A:ARG34 4.4 23.2 1.0 CD A:ARG38 4.5 23.3 1.0 CG A:ARG38 4.5 26.0 1.0 O A:ASP160 4.6 29.5 1.0 O A:HOH588 4.7 33.6 1.0 O A:HOH406 4.9 45.9 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Cerj From Streptomyces Tendae


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 Cerj From Streptomyces Tendae within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl358 b:41.0 occ:1.00 O B:HOH484 2.9 32.1 1.0 O B:HOH419 3.2 36.8 1.0 N B:ASP215 3.2 27.1 1.0 NE B:ARG219 3.3 31.7 1.0 NH1 B:ARG219 3.6 33.5 1.0 NH2 B:ARG152 3.7 23.8 1.0 CA B:ALA214 3.8 26.3 1.0 CZ B:ARG219 3.9 32.3 1.0 O B:ASP215 3.9 28.8 1.0 C B:ASP215 4.0 29.3 1.0 C B:ALA214 4.0 28.0 1.0 CA B:ASP215 4.1 29.1 1.0 CB B:ALA214 4.2 26.1 1.0 CG B:ARG219 4.3 34.2 1.0 NH1 B:ARG152 4.3 29.9 1.0 CD B:ARG219 4.3 31.2 1.0 CZ B:ARG152 4.4 31.5 1.0 OE1 B:GLU201 4.4 38.5 1.0 CD1 B:LEU216 4.5 33.0 1.0 CB B:ASP215 4.6 27.1 1.0 N B:LEU216 4.7 25.1 1.0 O B:VAL213 4.7 26.2 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Cerj From Streptomyces Tendae


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 Cerj From Streptomyces Tendae within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl359 b:50.7 occ:1.00 O B:HOH384 3.1 40.9 1.0 NH1 B:ARG34 3.2 28.9 1.0 NH1 B:ARG38 3.3 32.6 1.0 NE B:ARG38 3.5 32.3 1.0 CG B:ARG34 3.6 24.7 1.0 CD B:ARG34 3.8 22.1 1.0 CZ B:ARG38 3.8 36.1 1.0 CB B:ARG34 4.0 21.9 1.0 CD2 B:LEU37 4.0 36.4 1.0 CZ B:ARG34 4.2 27.0 1.0 CA B:ARG34 4.2 26.1 1.0 NE B:ARG34 4.5 23.4 1.0 CD B:ARG38 4.6 33.7 1.0 CG B:ARG38 4.6 35.8 1.0 O B:ASP160 4.9 32.3 1.0

T.Bretschneider, G.Zocher, M.Unger, K.Scherlach, T.Stehle, C.Hertweck. A Ketosynthase Homolog Uses Malonyl Units to Form Esters in Cervimycin Biosynthesis. Nat.Chem.Biol. V. 8 154 2011.
ISSN: ISSN 1552-4450
PubMed: 22179067
DOI: 10.1038/NCHEMBIO.746