Magnesium in PDB 3djb: Crystal Structure of A Hd-Superfamily Hydrolase (BT9727_1981) From Bacillus Thuringiensis, Northeast Structural Genomics Consortium Target BUR114

The structure of Crystal Structure of A Hd-Superfamily Hydrolase (BT9727_1981) From Bacillus Thuringiensis, Northeast Structural Genomics Consortium Target BUR114, PDB code: 3djb was solved by F.Forouhar, M.Su, J.Seetharaman, S.M.Vorobiev, H.Janjua, Y.Fang, R.Xiao, K.Cunningham, M.Maglaqui, L.A.Owen, D.Wang, M.C.Baran, J.Liu, T.B.Acton, G.T.Montelione, L.Tong, J.F.Hunt, Northeaststructural Genomics Consortium (Nesg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.45 / 2.90
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	66.273, 66.273, 101.736, 90.00, 90.00, 90.00
R / Rfree (%)	24.6 / 29.1

The binding sites of Magnesium atom in the Crystal Structure of A Hd-Superfamily Hydrolase (BT9727_1981) From Bacillus Thuringiensis, Northeast Structural Genomics Consortium Target BUR114 (pdb code 3djb). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of A Hd-Superfamily Hydrolase (BT9727_1981) From Bacillus Thuringiensis, Northeast Structural Genomics Consortium Target BUR114, PDB code: 3djb:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of A Hd-Superfamily Hydrolase (BT9727_1981) From Bacillus Thuringiensis, Northeast Structural Genomics Consortium Target BUR114


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 A Hd-Superfamily Hydrolase (BT9727_1981) From Bacillus Thuringiensis, Northeast Structural Genomics Consortium Target BUR114 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg224 b:52.9 occ:1.00 OD1 A:ASP122 2.4 57.5 1.0 NE2 A:HIS58 2.7 66.1 1.0 NE2 A:HIS29 2.7 56.7 1.0 OD1 A:ASP59 3.0 53.6 1.0 CG A:ASP122 3.2 58.0 1.0 CD2 A:HIS58 3.3 66.4 1.0 CE1 A:HIS29 3.3 56.4 1.0 OD2 A:ASP122 3.3 57.3 1.0 CE1 A:HIS58 3.8 65.2 1.0 CG A:ASP59 3.9 54.0 1.0 CD2 A:HIS29 4.0 56.5 1.0 OD2 A:ASP59 4.1 53.2 1.0 CG A:HIS58 4.5 64.5 1.0 CB A:ASP122 4.5 57.6 1.0 ND1 A:HIS29 4.5 57.7 1.0 ND1 A:HIS58 4.7 66.2 1.0 CG A:HIS29 4.9 56.6 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of A Hd-Superfamily Hydrolase (BT9727_1981) From Bacillus Thuringiensis, Northeast Structural Genomics Consortium Target BUR114


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 A Hd-Superfamily Hydrolase (BT9727_1981) From Bacillus Thuringiensis, Northeast Structural Genomics Consortium Target BUR114 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg224 b:56.1 occ:1.00 OD1 B:ASP122 2.3 60.1 1.0 NE2 B:HIS29 2.6 56.2 1.0 NE2 B:HIS58 2.9 65.3 1.0 CE1 B:HIS29 3.1 55.5 1.0 CG B:ASP122 3.1 59.3 1.0 OD1 B:ASP59 3.2 52.5 1.0 OD2 B:ASP122 3.2 59.5 1.0 CD2 B:HIS58 3.5 66.3 1.0 CD2 B:HIS29 3.9 56.3 1.0 CE1 B:HIS58 4.0 65.5 1.0 CG B:ASP59 4.1 52.5 1.0 OD2 B:ASP59 4.2 51.9 1.0 ND1 B:HIS29 4.4 57.7 1.0 CB B:ASP122 4.5 57.2 1.0 CG B:HIS58 4.8 64.8 1.0 CG B:HIS29 4.8 57.1 1.0 ND1 B:HIS58 5.0 67.2 1.0 CG2 B:VAL33 5.0 52.7 1.0

F.Forouhar, M.Su, J.Seetharaman, S.M.Vorobiev, H.Janjua, Y.Fang, R.Xiao, K.Cunningham, M.Maglaqui, L.A.Owen, D.Wang, M.C.Baran, J.Liu, T.B.Acton, G.T.Montelione, L.Tong, J.F.Hunt. Crystal Structure of A Hd-Superfamily Hydrolase (BT9727_1981) From Bacillus Thuringiensis, Northeast Structural Genomics Consortium Target BUR114 To Be Published.