Magnesium in PDB 3au0: Structural and Biochemical Characterization of Clfb:Ligand Interactions

The structure of Structural and Biochemical Characterization of Clfb:Ligand Interactions, PDB code: 3au0 was solved by V.K.Ganesh, E.M.Barbu, C.C.S.Deivanayagam, B.Le, A.S.Anderson, Y.Matsuka, S.L.Lin, T.F.Foster, S.V.L.Narayana, M.Hook, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	63.38 / 2.45
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	96.360, 96.360, 84.130, 90.00, 90.00, 90.00
R / Rfree (%)	20.3 / 27.9

The binding sites of Magnesium atom in the Structural and Biochemical Characterization of Clfb:Ligand Interactions (pdb code 3au0). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structural and Biochemical Characterization of Clfb:Ligand Interactions, PDB code: 3au0:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structural and Biochemical Characterization of Clfb:Ligand Interactions


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structural and Biochemical Characterization of Clfb:Ligand Interactions within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg800 b:42.0 occ:1.00 O A:ASN216 2.4 35.4 1.0 O A:VAL219 2.4 31.9 1.0 O A:ALA347 2.4 24.5 1.0 O A:HOH767 3.4 37.8 1.0 C A:ASN216 3.5 37.3 1.0 C A:VAL219 3.5 32.7 1.0 C A:ALA347 3.6 19.4 1.0 CB A:ALA347 3.7 20.2 1.0 O A:HOH779 3.7 34.6 1.0 O A:HOH608 3.9 26.4 1.0 N A:VAL219 4.2 36.1 1.0 CA A:ALA347 4.2 34.2 1.0 CA A:ASP217 4.2 39.9 1.0 N A:ASP217 4.3 39.1 1.0 CA A:VAL219 4.4 33.6 1.0 C A:ASP217 4.5 38.9 1.0 N A:THR220 4.5 32.1 1.0 CA A:THR220 4.6 31.4 1.0 CA A:ASN216 4.6 37.4 1.0 CB A:ASP348 4.6 22.9 1.0 N A:ASP348 4.6 23.7 1.0 OG1 A:THR220 4.8 32.2 1.0 N A:LYS218 4.8 37.9 1.0 CB A:ASN216 4.8 36.7 1.0 O A:ASP217 4.9 32.8 1.0 C A:ASP348 4.9 27.3 1.0 O A:ASP348 4.9 32.9 1.0 CA A:ASP348 4.9 41.7 1.0 CB A:VAL219 5.0 33.1 1.0

Magnesium binding site 2 out of 2 in the Structural and Biochemical Characterization of Clfb:Ligand Interactions


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structural and Biochemical Characterization of Clfb:Ligand Interactions within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg801 b:30.3 occ:1.00 O A:THR482 2.2 19.5 1.0 OG1 A:THR482 2.2 23.9 1.0 O A:HOH601 2.2 21.7 1.0 O A:GLN400 2.3 25.2 1.0 O A:HOH705 2.6 40.8 1.0 C A:THR482 3.0 54.0 1.0 C A:GLN400 3.2 24.5 1.0 CB A:THR482 3.3 18.3 1.0 CA A:THR482 3.4 17.9 1.0 O A:ARG401 3.9 20.5 1.0 CA A:GLN400 3.9 47.5 1.0 CB A:GLN400 4.0 27.8 1.0 C A:ARG401 4.0 75.6 1.0 CG2 A:THR482 4.1 20.4 1.0 N A:ARG401 4.1 19.2 1.0 N A:LYS483 4.2 22.5 1.0 CA A:ARG401 4.3 21.4 1.0 CG2 A:VAL402 4.4 4.2 1.0 N A:VAL402 4.6 23.5 1.0 CA A:LYS483 4.7 15.9 1.0 N A:THR482 4.9 27.4 1.0 CG A:GLN400 4.9 51.5 1.0

V.K.Ganesh, E.M.Barbu, C.C.S.Deivanayagam, B.Le, A.S.Anderson, Y.Matsuka, S.L.Lin, T.F.Foster, S.V.L.Narayana, M.Hook. Structural and Biochemical Characterization of Clfb:Ligand Interactions To Be Published.