Magnesium in PDB 6kvw: The Complex Structure of Eanb/C339A/C370A and Hercynine

The structure of The Complex Structure of Eanb/C339A/C370A and Hercynine, PDB code: 6kvw 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)	25.00 / 2.25
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	87.823, 110.851, 120.760, 90.00, 90.00, 90.00
R / Rfree (%)	21.7 / 23.6

The structure of The Complex Structure of Eanb/C339A/C370A and Hercynine also contains other interesting chemical elements:

Zinc	(Zn)	1 atom
Calcium	(Ca)	1 atom
Chlorine	(Cl)	4 atoms

The binding sites of Magnesium atom in the The Complex Structure of Eanb/C339A/C370A and Hercynine (pdb code 6kvw). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the The Complex Structure of Eanb/C339A/C370A and Hercynine, PDB code: 6kvw:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the The Complex Structure of Eanb/C339A/C370A and Hercynine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Complex Structure of Eanb/C339A/C370A and Hercynine within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg501 b:35.0 occ:1.00 O A:THR414 2.3 34.8 1.0 O A:ASP437 2.3 33.4 1.0 O A:TRP216 2.3 32.6 1.0 O A:HOH758 2.4 35.8 1.0 OD1 A:ASN217 2.4 32.5 1.0 OD1 A:ASP437 2.5 32.3 1.0 C A:ASP437 3.1 33.2 1.0 C A:TRP216 3.2 32.7 1.0 C A:THR414 3.3 36.5 1.0 CG A:ASP437 3.4 32.6 1.0 CG A:ASN217 3.5 33.2 1.0 CA A:ASN217 3.5 32.2 1.0 N A:ASN217 3.6 32.5 1.0 N A:GLY438 3.8 33.5 1.0 CA A:ASP437 3.8 33.2 1.0 CA A:THR414 3.9 36.2 1.0 NH2 A:ARG266 3.9 32.8 1.0 CA A:GLY438 3.9 35.2 1.0 CB A:ASP437 4.0 33.1 1.0 O A:HOH706 4.0 32.6 1.0 CB A:ASN217 4.1 32.0 1.0 OD2 A:ASP437 4.2 32.7 1.0 O A:GLY438 4.2 35.9 1.0 C A:GLY438 4.2 34.7 1.0 N A:GLY415 4.3 36.7 1.0 CB A:THR414 4.3 38.7 1.0 O A:THR215 4.3 33.3 1.0 CA A:TRP216 4.4 33.2 1.0 CB A:TRP216 4.5 33.6 1.0 CA A:GLY415 4.6 34.5 1.0 ND2 A:ASN217 4.6 34.3 1.0 CZ A:ARG266 4.6 31.8 1.0 NH1 A:ARG266 4.7 32.7 1.0 C A:ASN217 4.8 32.7 1.0 O A:HOH617 4.9 35.2 1.0

Magnesium binding site 2 out of 3 in the The Complex Structure of Eanb/C339A/C370A and Hercynine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The Complex Structure of Eanb/C339A/C370A and Hercynine within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg501 b:22.4 occ:1.00 O B:THR414 2.2 23.4 1.0 O B:ASP437 2.2 21.7 1.0 O B:HOH777 2.4 24.5 1.0 O B:TRP216 2.4 25.2 1.0 OD1 B:ASN217 2.4 23.8 1.0 OD1 B:ASP437 2.5 23.1 1.0 C B:ASP437 3.0 22.6 1.0 C B:THR414 3.2 23.3 1.0 C B:TRP216 3.3 24.6 1.0 CG B:ASP437 3.3 23.6 1.0 CG B:ASN217 3.5 24.5 1.0 CA B:ASN217 3.6 24.4 1.0 N B:ASN217 3.7 25.2 1.0 CA B:ASP437 3.8 22.6 1.0 N B:GLY438 3.8 24.0 1.0 CA B:THR414 3.9 24.2 1.0 NH2 B:ARG266 3.9 22.8 1.0 CA B:GLY438 3.9 23.8 1.0 CB B:ASP437 4.0 23.1 1.0 O B:HOH699 4.1 23.7 1.0 CB B:ASN217 4.2 24.7 1.0 OD2 B:ASP437 4.2 23.8 1.0 O B:GLY438 4.2 23.8 1.0 C B:GLY438 4.2 25.9 1.0 CB B:THR414 4.3 24.1 1.0 N B:GLY415 4.3 23.3 1.0 O B:THR215 4.4 26.9 1.0 CA B:TRP216 4.5 26.4 1.0 CB B:TRP216 4.5 25.3 1.0 CA B:GLY415 4.5 21.9 1.0 CZ B:ARG266 4.6 24.0 1.0 ND2 B:ASN217 4.6 23.6 1.0 NH1 B:ARG266 4.7 21.4 1.0 O B:HOH618 4.8 23.1 1.0 C B:ASN217 4.8 24.6 1.0

Magnesium binding site 3 out of 3 in the The Complex Structure of Eanb/C339A/C370A and Hercynine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of The Complex Structure of Eanb/C339A/C370A and Hercynine within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg502 b:51.2 occ:1.00 O B:SER47 2.3 38.0 1.0 O B:HOH805 2.4 37.4 1.0 O B:VAL50 2.4 37.1 1.0 O B:HOH835 2.4 37.1 1.0 O B:HOH804 2.6 37.8 1.0 O B:HOH829 2.6 35.5 1.0 C B:SER47 3.5 38.5 1.0 C B:VAL50 3.5 37.1 1.0 N B:VAL50 4.1 40.8 1.0 CA B:VAL50 4.1 39.9 1.0 CB B:VAL50 4.2 38.9 1.0 CA B:GLU48 4.2 38.9 1.0 N B:GLU48 4.3 38.5 1.0 O B:HOH673 4.3 32.6 1.0 C B:GLU48 4.4 39.7 1.0 O B:HOH848 4.4 34.9 1.0 O B:LEU45 4.4 35.8 1.0 N B:SER47 4.4 37.2 1.0 O B:HOH723 4.4 35.2 1.0 O B:GLU48 4.5 38.6 1.0 CA B:SER47 4.5 37.2 1.0 N B:LYS51 4.6 35.0 1.0 O B:LEU44 4.7 35.6 1.0 CG1 B:VAL50 4.8 36.1 1.0 C B:GLY46 4.9 36.7 1.0 CA B:LYS51 4.9 33.2 1.0 CB B:SER47 5.0 38.7 1.0 N B:LYS49 5.0 41.9 1.0

L.Wu, P.H.Liu, J.H.Zhou. The Complex Structure of Eanb/C339A/C370A and Hercynine To Be Published.