Magnesium in PDB 6kw0: The Structure of Eanb/Y353F-CYS412-Persulfide in Tetrahedral Intermediate State with Ergothioneine

The structure of The Structure of Eanb/Y353F-CYS412-Persulfide in Tetrahedral Intermediate State with Ergothioneine, PDB code: 6kw0 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)	49.00 / 2.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	59.206, 87.413, 92.106, 90.00, 91.80, 90.00
R / Rfree (%)	19.6 / 25

The structure of The Structure of Eanb/Y353F-CYS412-Persulfide in Tetrahedral Intermediate State with Ergothioneine also contains other interesting chemical elements:

Bromine	(Br)	2 atoms
Chlorine	(Cl)	3 atoms

The binding sites of Magnesium atom in the The Structure of Eanb/Y353F-CYS412-Persulfide in Tetrahedral Intermediate State with Ergothioneine (pdb code 6kw0). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the The Structure of Eanb/Y353F-CYS412-Persulfide in Tetrahedral Intermediate State with Ergothioneine, PDB code: 6kw0:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the The Structure of Eanb/Y353F-CYS412-Persulfide in Tetrahedral Intermediate State with Ergothioneine


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/Y353F-CYS412-Persulfide in Tetrahedral Intermediate State with Ergothioneine within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:24.4 occ:1.00 O A:TRP216 2.1 31.1 1.0 O A:THR414 2.3 29.4 1.0 OD1 A:ASN217 2.4 28.5 1.0 O A:ASP437 2.4 28.4 1.0 OD1 A:ASP437 2.4 30.0 1.0 O A:HOH602 2.5 25.5 1.0 C A:TRP216 2.9 32.9 1.0 CA A:ASN217 3.2 33.4 1.0 C A:ASP437 3.3 29.6 1.0 N A:ASN217 3.3 32.8 1.0 CG A:ASP437 3.3 31.3 1.0 C A:THR414 3.4 30.0 1.0 CG A:ASN217 3.4 28.6 1.0 NH2 A:ARG266 3.8 31.4 1.0 CB A:ASN217 3.9 32.2 1.0 CA A:ASP437 3.9 28.4 1.0 CB A:ASP437 4.0 31.0 1.0 OD2 A:ASP437 4.1 32.8 1.0 CA A:TRP216 4.1 33.1 1.0 CA A:THR414 4.1 27.1 1.0 O A:THR215 4.1 27.1 1.0 CB A:TRP216 4.2 30.5 1.0 N A:GLY438 4.2 29.3 1.0 CA A:GLY438 4.3 29.9 1.0 N A:GLY415 4.3 31.7 1.0 C A:ASN217 4.4 29.2 1.0 CB A:THR414 4.5 33.5 1.0 CZ A:ARG266 4.5 30.1 1.0 ND2 A:ASN217 4.5 32.9 1.0 CA A:GLY415 4.5 26.8 1.0 NH1 A:ARG266 4.6 32.7 1.0 O A:GLY438 4.6 30.4 1.0 C A:GLY438 4.7 30.9 1.0 C A:THR215 4.9 32.5 1.0 N A:TRP216 4.9 33.6 1.0 N A:ARG218 5.0 33.0 1.0

Magnesium binding site 2 out of 2 in the The Structure of Eanb/Y353F-CYS412-Persulfide in Tetrahedral Intermediate State with Ergothioneine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The Structure of Eanb/Y353F-CYS412-Persulfide in Tetrahedral Intermediate State with Ergothioneine within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg503 b:30.8 occ:1.00 O B:TRP216 2.1 36.0 1.0 O B:ASP437 2.3 30.8 1.0 OD1 B:ASN217 2.4 37.8 1.0 OD1 B:ASP437 2.4 34.3 1.0 O B:HOH603 2.5 30.3 1.0 O B:THR414 2.7 34.4 1.0 C B:TRP216 3.0 38.9 1.0 CG B:ASP437 3.1 33.3 1.0 C B:ASP437 3.2 33.7 1.0 CA B:ASN217 3.2 37.6 1.0 N B:ASN217 3.4 35.5 1.0 CG B:ASN217 3.4 30.9 1.0 NH2 B:ARG266 3.5 31.6 1.0 C B:THR414 3.6 35.6 1.0 OD2 B:ASP437 3.8 35.4 1.0 CA B:ASP437 3.9 33.2 1.0 CB B:ASN217 3.9 34.0 1.0 CB B:ASP437 3.9 32.4 1.0 N B:GLY438 4.0 34.5 1.0 CA B:GLY438 4.2 40.3 1.0 CA B:TRP216 4.2 40.8 1.0 O B:THR215 4.3 39.6 1.0 CZ B:ARG266 4.3 30.9 1.0 CB B:TRP216 4.4 32.6 1.0 CA B:THR414 4.4 34.7 1.0 O B:GLY438 4.4 34.1 1.0 NH1 B:ARG266 4.4 31.1 1.0 C B:ASN217 4.5 37.6 1.0 N B:GLY415 4.5 33.8 1.0 ND2 B:ASN217 4.5 32.5 1.0 C B:GLY438 4.6 36.5 1.0 CA B:GLY415 4.6 34.4 1.0 O B:HOH602 4.8 32.7 1.0 N B:ARG218 4.9 34.9 1.0 CB B:THR414 5.0 35.5 1.0

L.Wu, P.H.Liu, J.H.Zhou. The Structure of Eanb/Y353F-CYS412-Persulfide in Tetrahedral Intermediate State with Ergothioneine To Be Published.