Chlorine in PDB 5w7k: Crystal Structure of Oxag

The structure of Crystal Structure of Oxag, PDB code: 5w7k was solved by S.A.Newmister, S.Romminger, J.J.Schmidt, R.M.Williams, J.L.Smith, R.G.S.Berlinck, D.H.Sherman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.32 / 1.99
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	121.628, 36.208, 126.304, 90.00, 102.83, 90.00
R / Rfree (%)	22 / 26

The binding sites of Chlorine atom in the Crystal Structure of Oxag (pdb code 5w7k). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Oxag, PDB code: 5w7k:

Chlorine binding site 1 out of 1 in the Crystal Structure of Oxag


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 Oxag within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:38.8 occ:1.00 NZ A:LYS283 3.2 34.9 1.0 O B:HOH414 3.2 42.4 1.0 CD B:ARG200 3.4 44.0 1.0 N B:SER213 3.4 35.9 1.0 NE B:ARG200 3.4 46.7 1.0 CD1 B:TYR212 3.6 34.4 1.0 O B:SER213 3.6 39.9 1.0 CE A:LYS283 3.7 34.9 1.0 CA B:TYR212 3.8 40.1 1.0 CE1 B:TYR212 4.1 35.2 1.0 C B:TYR212 4.1 40.9 1.0 CG B:TYR212 4.3 33.6 1.0 CA B:SER213 4.3 39.5 1.0 C B:SER213 4.4 38.3 1.0 OG B:SER213 4.4 43.3 1.0 O B:VAL211 4.5 36.7 1.0 CZ B:ARG200 4.5 43.8 1.0 CB B:TYR212 4.6 34.3 1.0 CB B:SER213 4.7 39.3 1.0 CD A:LYS283 4.7 36.0 1.0 O A:HIS210 4.7 29.9 1.0 CG B:ARG200 4.8 42.2 1.0 N B:TYR212 4.9 34.9 1.0 OE2 A:GLU285 4.9 42.8 1.0 CB A:HIS210 4.9 32.8 1.0

S.A.Newmister, S.Romminger, J.J.Schmidt, R.M.Williams, J.L.Smith, R.G.S.Berlinck, D.H.Sherman. Unveiling Sequential Late-Stage Methyltransferase Reactions in the Meleagrin/Oxaline Biosynthetic Pathway. Org. Biomol. Chem. V. 16 6450 2018.
ISSN: ESSN 1477-0539
PubMed: 30141817
DOI: 10.1039/C8OB01565A