Chlorine 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:

Bromine	(Br)	1 atom
Magnesium	(Mg)	3 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total only one binding site of Chlorine was determined in the The Complex Structure of Eanb/C412S with Hercynine, PDB code: 6ktz:

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl508 b:50.2 occ:1.00 O A:HOH862 3.3 43.0 1.0 N A:ASN29 3.7 42.4 1.0 NZ A:LYS124 3.7 25.1 1.0 O A:HOH622 3.7 25.7 1.0 CA A:LYS28 3.8 46.8 1.0 O A:HOH932 3.8 42.2 1.0 O A:HOH659 3.9 39.9 1.0 CE A:LYS124 4.1 22.2 1.0 OD1 A:ASN29 4.2 41.3 0.3 C A:LYS28 4.3 41.5 1.0 O A:ASN29 4.4 40.4 1.0 O A:HIS27 4.4 48.9 1.0 O A:ASP32 4.5 37.2 1.0 CG A:LYS28 4.5 40.2 1.0 CB A:LYS28 4.6 38.3 1.0 N A:LYS28 4.6 38.9 1.0 CA A:ASN29 4.7 39.0 0.3 CA A:ASN29 4.8 39.0 0.7 C A:HIS27 4.8 45.2 1.0 OG1 A:THR34 4.9 40.3 1.0 CD A:LYS124 4.9 24.9 1.0 CG A:ASN29 4.9 41.8 0.3 C A:ASN29 5.0 35.0 1.0 CB A:ASN29 5.0 39.8 0.3 O A:ASN129 5.0 34.0 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