Magnesium in PDB 6ktv: The Structure of Eanb Complex with Hercynine and Persulfided CYS412

The structure of The Structure of Eanb Complex with Hercynine and Persulfided CYS412, PDB code: 6ktv 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)	45.70 / 2.20
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	88.675, 112.819, 60.615, 90.00, 90.00, 90.00
R / Rfree (%)	17 / 19.9

The structure of The Structure of Eanb Complex with Hercynine and Persulfided CYS412 also contains other interesting chemical elements:

Nickel	(Ni)	1 atom
Chlorine	(Cl)	8 atoms

The binding sites of Magnesium atom in the The Structure of Eanb Complex with Hercynine and Persulfided CYS412 (pdb code 6ktv). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the The Structure of Eanb Complex with Hercynine and Persulfided CYS412, PDB code: 6ktv:

Magnesium binding site 1 out of 1 in the The Structure of Eanb Complex with Hercynine and Persulfided CYS412


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Structure of Eanb Complex with Hercynine and Persulfided CYS412 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:32.5 occ:1.00 O A:TRP216 2.2 25.9 1.0 O A:ASP437 2.3 28.4 1.0 O A:THR414 2.3 30.6 1.0 O A:HOH709 2.3 26.8 1.0 OD1 A:ASN217 2.4 26.7 1.0 OD1 A:ASP437 2.6 28.7 1.0 C A:TRP216 3.1 29.1 1.0 C A:ASP437 3.2 30.7 1.0 C A:THR414 3.3 29.8 1.0 CG A:ASP437 3.4 27.9 1.0 CA A:ASN217 3.5 25.0 1.0 CG A:ASN217 3.5 32.8 1.0 N A:ASN217 3.5 24.9 1.0 NH1 A:ARG266 3.8 27.3 1.0 CA A:ASP437 4.0 28.2 1.0 CA A:THR414 4.0 27.2 1.0 N A:GLY438 4.0 31.0 1.0 CA A:GLY438 4.1 29.4 1.0 CB A:ASN217 4.1 28.6 1.0 O A:HOH685 4.1 30.2 1.0 CB A:ASP437 4.1 23.6 1.0 O A:THR215 4.2 28.9 1.0 OD2 A:ASP437 4.2 27.4 1.0 O A:GLY438 4.2 30.1 1.0 N A:GLY415 4.3 25.7 1.0 CA A:TRP216 4.3 23.4 1.0 CB A:TRP216 4.3 27.7 1.0 C A:GLY438 4.3 34.6 1.0 CB A:THR414 4.5 31.0 1.0 CA A:GLY415 4.5 28.4 1.0 CZ A:ARG266 4.6 27.3 1.0 ND2 A:ASN217 4.6 33.0 1.0 C A:ASN217 4.7 28.2 1.0 NH2 A:ARG266 4.8 22.7 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