Chlorine in PDB 4jna: Crystal Structure of the Deph Complex with Dimethyl-FK228

The structure of Crystal Structure of the Deph Complex with Dimethyl-FK228, PDB code: 4jna was solved by J.Li, C.Wang, Z.M.Zhang, J.H.Zhou, E.Cheng, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.98 / 2.00
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	154.283, 154.283, 71.828, 90.00, 90.00, 90.00
R / Rfree (%)	15.2 / 22.2

The binding sites of Chlorine atom in the Crystal Structure of the Deph Complex with Dimethyl-FK228 (pdb code 4jna). 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 the Deph Complex with Dimethyl-FK228, PDB code: 4jna:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Deph Complex with Dimethyl-FK228


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 the Deph Complex with Dimethyl-FK228 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:46.3 occ:1.00 N A:HIS176 3.0 26.5 1.0 N A:CYS177 3.0 29.3 1.0 CD2 A:HIS181 3.3 46.2 1.0 CA A:HIS176 3.6 27.6 1.0 CB A:HIS176 3.6 27.3 1.0 O A:HOH579 3.7 55.1 1.0 C7 A:FAD401 3.7 26.2 1.0 NE2 A:HIS181 3.7 50.4 1.0 C6 A:FAD401 3.8 25.9 1.0 C A:HIS176 3.8 31.0 1.0 CB A:PHE175 3.8 24.6 1.0 CB A:CYS177 3.9 34.8 1.0 CA A:CYS177 4.0 29.5 1.0 C8 A:FAD401 4.0 24.8 1.0 C A:PHE175 4.0 26.2 1.0 C5X A:FAD401 4.1 26.1 1.0 O A:CYS177 4.1 29.1 1.0 CA A:PHE175 4.1 21.8 1.0 C7M A:FAD401 4.2 29.6 1.0 C9 A:FAD401 4.3 21.5 1.0 C9A A:FAD401 4.3 23.0 1.0 C A:CYS177 4.5 26.5 1.0 CG A:HIS181 4.5 42.9 1.0 CD1 A:PHE175 4.5 39.7 1.0 CB A:CYS180 4.7 31.1 1.0 N5 A:FAD401 4.7 24.7 1.0 CG A:PHE175 4.7 32.9 1.0 C8M A:FAD401 4.7 23.5 1.0 CG A:HIS176 4.9 36.8 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Deph Complex with Dimethyl-FK228


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 the Deph Complex with Dimethyl-FK228 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:44.3 occ:1.00 N B:HIS176 3.0 31.3 1.0 N B:CYS177 3.1 30.9 1.0 CD2 B:HIS181 3.4 41.2 1.0 C7 B:FAD401 3.7 30.1 1.0 C6 B:FAD401 3.7 28.5 1.0 CA B:HIS176 3.7 31.1 1.0 CB B:HIS176 3.8 31.4 1.0 CB B:PHE175 3.8 34.4 1.0 C B:HIS176 3.9 30.8 1.0 C8 B:FAD401 4.0 29.8 1.0 CB B:CYS177 4.0 40.0 1.0 CA B:CYS177 4.0 34.4 1.0 C5X B:FAD401 4.0 30.2 1.0 C B:PHE175 4.0 30.5 1.0 O B:CYS177 4.1 31.4 1.0 NE2 B:HIS181 4.1 44.5 1.0 CA B:PHE175 4.1 31.2 1.0 C7M B:FAD401 4.2 35.4 1.0 C9 B:FAD401 4.2 26.5 1.0 C9A B:FAD401 4.2 27.4 1.0 C B:CYS177 4.5 31.1 1.0 CD1 B:PHE175 4.5 40.4 1.0 CB B:CYS180 4.5 31.9 1.0 CG B:HIS181 4.6 38.6 1.0 N5 B:FAD401 4.6 28.1 1.0 C8M B:FAD401 4.7 33.8 1.0 CG B:PHE175 4.7 43.1 1.0 CG B:HIS176 5.0 39.1 1.0

J.Li, C.Wang, Z.M.Zhang, Y.Q.Cheng, J.Zhou. The Structural Basis of An Nadp+-Independent Dithiol Oxidase in FK228 Biosynthesis. Sci Rep V. 4 4145 2014.
ISSN: ESSN 2045-2322
PubMed: 24553401
DOI: 10.1038/SREP04145