Magnesium in PDB 6r72: Crystal Structure of Bmra-E504A in An Outward-Facing Conformation

The structure of Crystal Structure of Bmra-E504A in An Outward-Facing Conformation, PDB code: 6r72 was solved by V.Chaptal, V.Zampieri, A.Kilburg, S.Magnard, P.Falson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.42 / 3.95
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	117.805, 110.754, 155.615, 90.00, 93.23, 90.00
R / Rfree (%)	26 / 32.1

The binding sites of Magnesium atom in the Crystal Structure of Bmra-E504A in An Outward-Facing Conformation (pdb code 6r72). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of Bmra-E504A in An Outward-Facing Conformation, PDB code: 6r72:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of Bmra-E504A in An Outward-Facing Conformation


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Bmra-E504A in An Outward-Facing Conformation within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg701 b:34.3 occ:1.00 O3G A:ATP700 1.9 33.2 1.0 OE1 A:GLN422 2.0 34.3 1.0 OG1 A:THR381 2.3 36.4 1.0 NE2 A:GLN422 2.4 30.7 1.0 CD A:GLN422 2.5 32.2 1.0 O2B A:ATP700 2.6 39.7 1.0 PG A:ATP700 2.8 36.3 1.0 O1G A:ATP700 2.8 38.2 1.0 O1A A:ATP700 3.1 35.0 1.0 CB A:THR381 3.4 36.1 1.0 O3B A:ATP700 3.4 38.2 1.0 PB A:ATP700 3.5 40.2 1.0 O3A A:ATP700 3.9 40.6 1.0 CG A:GLN422 4.0 31.6 1.0 PA A:ATP700 4.0 39.3 1.0 OD1 A:ASP503 4.0 37.2 1.0 O2G A:ATP700 4.1 36.2 1.0 CG2 A:THR381 4.2 34.0 1.0 O2A A:ATP700 4.3 41.2 1.0 N A:THR381 4.4 42.1 1.0 N B:GLY481 4.4 28.5 1.0 CA A:THR381 4.5 39.4 1.0 CB B:SER480 4.6 35.2 1.0 CB A:GLN422 4.6 31.1 1.0 OD2 A:ASP503 4.7 37.9 1.0 CG A:ASP503 4.8 37.5 1.0 O1B A:ATP700 4.9 44.5 1.0 CA B:SER480 5.0 32.1 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of Bmra-E504A in An Outward-Facing Conformation


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Bmra-E504A in An Outward-Facing Conformation within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg701 b:43.2 occ:1.00 OG1 B:THR381 2.0 43.4 1.0 O3G B:ATP700 2.2 39.5 1.0 O2B B:ATP700 2.3 48.4 1.0 O1A B:ATP700 2.4 46.6 1.0 CB B:THR381 2.5 45.7 1.0 NE2 B:GLN422 3.0 35.3 1.0 PB B:ATP700 3.2 50.1 1.0 PA B:ATP700 3.2 51.5 1.0 O3A B:ATP700 3.2 51.1 1.0 OE1 B:GLN422 3.2 37.0 1.0 PG B:ATP700 3.4 41.2 1.0 CG2 B:THR381 3.4 43.1 1.0 CD B:GLN422 3.5 35.1 1.0 O3B B:ATP700 3.6 46.4 1.0 CA B:THR381 3.7 50.7 1.0 N B:THR381 3.7 53.1 1.0 O2A B:ATP700 3.7 54.6 1.0 O1G B:ATP700 4.2 41.4 1.0 CB A:SER480 4.3 42.7 1.0 O1B B:ATP700 4.5 55.0 1.0 O2G B:ATP700 4.5 40.3 1.0 C B:THR381 4.7 54.6 1.0 O5' B:ATP700 4.7 55.3 1.0 OD1 B:ASP503 4.7 40.4 1.0 CA A:SER480 4.8 39.0 1.0 CG B:GLN422 4.8 33.5 1.0 OD2 B:ASP503 4.9 43.5 1.0 N B:THR382 4.9 57.2 1.0 N A:GLY481 4.9 33.8 1.0 C B:LYS380 5.0 58.0 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of Bmra-E504A in An Outward-Facing Conformation


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Bmra-E504A in An Outward-Facing Conformation within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg701 b:31.1 occ:1.00 OG1 C:THR381 1.9 31.5 1.0 O3G C:ATP700 1.9 31.8 1.0 OE1 C:GLN422 1.9 30.1 1.0 O2B C:ATP700 2.4 36.2 1.0 CD C:GLN422 2.6 28.5 1.0 NE2 C:GLN422 2.7 27.3 1.0 PG C:ATP700 2.9 34.5 1.0 CB C:THR381 3.1 31.6 1.0 O1G C:ATP700 3.2 34.7 1.0 PB C:ATP700 3.5 38.6 1.0 O3B C:ATP700 3.5 37.7 1.0 OD1 C:ASP503 3.6 34.1 1.0 O1A C:ATP700 3.8 33.6 1.0 CG C:GLN422 3.9 28.7 1.0 CG2 C:THR381 4.0 30.0 1.0 N C:THR381 4.0 37.5 1.0 CA C:THR381 4.1 34.7 1.0 O3A C:ATP700 4.1 38.2 1.0 OD2 C:ASP503 4.2 34.8 1.0 O2G C:ATP700 4.2 34.9 1.0 CG C:ASP503 4.3 34.8 1.0 PA C:ATP700 4.5 37.4 1.0 CB C:GLN422 4.5 28.5 1.0 O1B C:ATP700 4.7 42.7 1.0 O2A C:ATP700 4.8 39.3 1.0 N D:GLY481 4.9 28.6 1.0 CB D:SER480 4.9 34.0 1.0 CB C:LYS380 5.0 42.8 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of Bmra-E504A in An Outward-Facing Conformation


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of Bmra-E504A in An Outward-Facing Conformation within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg701 b:41.8 occ:1.00 OG1 D:THR381 1.9 46.2 1.0 O3G D:ATP700 1.9 45.6 1.0 OE1 D:GLN422 1.9 40.6 1.0 NE2 D:GLN422 2.2 38.7 1.0 CD D:GLN422 2.3 38.3 1.0 O2B D:ATP700 2.8 51.2 1.0 CB D:THR381 3.0 48.0 1.0 PG D:ATP700 3.2 45.7 1.0 O1G D:ATP700 3.6 44.8 1.0 CG D:GLN422 3.7 35.5 1.0 O1A D:ATP700 3.7 49.1 1.0 OD1 D:ASP503 3.7 43.1 1.0 CG2 D:THR381 3.7 45.0 1.0 PB D:ATP700 3.8 53.5 1.0 O3B D:ATP700 3.8 50.6 1.0 CB D:GLN422 4.1 35.1 1.0 CA D:THR381 4.2 52.4 1.0 O3A D:ATP700 4.3 54.0 1.0 N D:THR381 4.3 55.1 1.0 OD2 D:ASP503 4.3 45.4 1.0 O2G D:ATP700 4.4 43.4 1.0 CG D:ASP503 4.4 43.8 1.0 PA D:ATP700 4.5 54.0 1.0 N C:GLY481 4.6 38.4 1.0 CB C:SER480 4.8 47.3 1.0 O2A D:ATP700 4.9 56.9 1.0

V.Chaptal, V.Zampieri, B.Wiseman, K.N'guyen, S.Magnard, A.Kilburg, M.Peuchmaur, J.Martin, C.Orelle, J.M.Jault, L.Monticelli, M.Hogbom, A.Boumendjel, P.Falson. Crystal Structure of Bmra-E504A in An Outward-Facing Conformation To Be Published.