Bromine in PDB 6ktz: The Complex Structure of Eanb/C412S with Hercynine

The structure of The Complex Structure of Eanb/C412S with Hercynine, PDB code: 6ktz was solved by L.Wu, P.H.Liu, J.H.Zhou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.10 / 2.00
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	88.240, 111.090, 60.360, 90.00, 90.00, 90.00
R / Rfree (%)	17.4 / 21.6

The structure of The Complex Structure of Eanb/C412S with Hercynine also contains other interesting chemical elements:

Magnesium	(Mg)	3 atoms
Chlorine	(Cl)	1 atom

The binding sites of Bromine atom in the The Complex Structure of Eanb/C412S with Hercynine (pdb code 6ktz). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the The Complex Structure of Eanb/C412S with Hercynine, PDB code: 6ktz:

Bromine binding site 1 out of 1 in the The Complex Structure of Eanb/C412S with Hercynine


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of The Complex Structure of Eanb/C412S with Hercynine within 5.0Å range: probe atom residue distance (Å) B Occ A:Br509 b:25.0 occ:1.00 O A:HOH745 3.2 18.2 1.0 NH1 A:ARG381 3.3 16.0 1.0 N A:HIS261 3.3 13.0 1.0 C A:ALA259 3.5 23.0 1.0 N A:ILE262 3.6 14.6 1.0 CA A:ALA259 3.6 20.8 1.0 CB A:HIS261 3.7 14.6 1.0 N A:GLY260 3.7 16.3 1.0 CD1 A:PHE245 3.8 18.5 1.0 NH2 A:ARG381 3.8 21.2 1.0 CA A:HIS261 3.9 16.1 1.0 O A:ALA259 4.0 14.0 1.0 CZ A:ARG381 4.0 20.6 1.0 CG1 A:ILE262 4.0 16.0 1.0 CB A:PHE245 4.0 18.8 1.0 CB A:ALA259 4.1 16.2 1.0 C A:HIS261 4.2 16.2 1.0 CA A:PHE245 4.2 16.1 1.0 C A:GLY260 4.3 18.6 1.0 CG A:PHE245 4.4 19.7 1.0 CA A:GLY260 4.6 15.6 1.0 O A:ALA258 4.7 18.4 1.0 N A:PHE245 4.7 14.6 1.0 CD1 A:ILE262 4.8 16.6 1.0 CA A:ILE262 4.8 13.8 1.0 CB A:ILE262 4.8 11.7 1.0 CE1 A:PHE245 4.8 22.2 1.0 N A:ALA259 4.9 15.0 1.0 O A:LYS244 4.9 16.0 1.0

R.Cheng, L.Wu, R.Lai, C.Peng, N.Naowarojna, W.Hu, X.Li, S.A.Whelan, N.Lee, J.Lopez, C.Zhao, Y.Yong, J.Xue, X.Jiang, M.W.Grinstaff, Z.Deng, J.Chen, Q.Cui, J.H.Zhou, P.Liu. Single-Step Replacement of An Unreactive C-H Bond By A C-S Bond Using Polysulfide As the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis Acs Catalysis V. 10 8981 2020.
ISSN: ESSN 2155-5435
DOI: 10.1021/ACSCATAL.0C01809