Chlorine in PDB 4jn9: Crystal Structure of the Deph

The structure of Crystal Structure of the Deph, PDB code: 4jn9 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)	38.52 / 1.90
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	78.120, 78.120, 187.415, 90.00, 90.00, 120.00
R / Rfree (%)	16.2 / 19.7

The structure of Crystal Structure of the Deph also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of the Deph (pdb code 4jn9). 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, PDB code: 4jn9:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Deph


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:29.9 occ:1.00 N A:HIS176 3.1 18.8 1.0 O A:HOH667 3.1 38.2 1.0 N A:CYS177 3.2 25.9 1.0 C7 A:FAD401 3.5 19.8 1.0 C6 A:FAD401 3.5 19.1 1.0 CB A:HIS176 3.6 28.9 1.0 CD2 A:HIS181 3.7 36.8 1.0 CA A:HIS176 3.7 18.2 1.0 C8 A:FAD401 3.8 15.6 1.0 C5X A:FAD401 3.8 17.6 1.0 CB A:PHE175 3.9 21.5 1.0 C A:HIS176 4.0 23.3 1.0 C7M A:FAD401 4.0 24.3 1.0 C9 A:FAD401 4.1 18.5 1.0 C9A A:FAD401 4.1 14.2 1.0 C A:PHE175 4.1 21.2 1.0 CA A:CYS177 4.2 26.9 1.0 CA A:PHE175 4.2 21.4 1.0 O A:CYS177 4.3 20.2 1.0 CB A:CYS177 4.3 30.2 1.0 NE2 A:HIS181 4.3 38.1 1.0 C8M A:FAD401 4.5 16.5 1.0 CD1 A:PHE175 4.5 27.7 1.0 N5 A:FAD401 4.5 18.0 1.0 CB A:CYS180 4.5 22.1 1.0 C A:CYS177 4.7 18.3 1.0 CG A:PHE175 4.7 24.6 1.0 SG A:CYS177 4.8 42.7 1.0 CG A:HIS176 4.9 30.0 1.0 CG A:HIS181 4.9 32.6 1.0 N10 A:FAD401 5.0 13.6 1.0 SG A:CYS180 5.0 23.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Deph


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 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:22.3 occ:1.00 N B:HIS176 3.1 13.7 1.0 O B:HOH635 3.1 31.3 1.0 N B:CYS177 3.1 13.9 1.0 C6 B:FAD401 3.6 13.2 1.0 CD2 B:HIS181 3.7 19.0 1.0 C7 B:FAD401 3.7 12.4 1.0 CB B:CYS177 3.8 24.6 1.0 CB B:HIS176 3.8 15.6 1.0 CA B:HIS176 3.8 16.9 1.0 CB B:PHE175 3.8 15.8 1.0 C5X B:FAD401 3.9 15.9 1.0 C B:HIS176 3.9 17.8 1.0 CA B:CYS177 4.0 16.9 1.0 C8 B:FAD401 4.0 15.4 1.0 C B:PHE175 4.1 16.5 1.0 O B:CYS177 4.1 16.3 1.0 CA B:PHE175 4.1 15.4 1.0 CD1 B:PHE175 4.2 18.4 1.0 C7M B:FAD401 4.2 12.2 1.0 C9A B:FAD401 4.2 12.8 1.0 C9 B:FAD401 4.3 14.9 1.0 CB B:CYS180 4.4 17.9 1.0 NE2 B:HIS181 4.4 20.6 1.0 CG B:PHE175 4.5 15.5 1.0 C B:CYS177 4.5 16.7 1.0 N5 B:FAD401 4.5 14.7 1.0 CG B:HIS181 4.7 22.3 1.0 C8M B:FAD401 4.7 17.5 1.0 O B:HOH689 4.9 43.0 1.0 SG B:CYS180 4.9 21.1 1.0 SG B:CYS177 4.9 35.3 1.0 CG B:HIS176 5.0 27.3 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