Magnesium in PDB 3hnm: Crystal Structure of Protein BT_411 (Putative Chitobiase, Fragment 298-461) From Bacteroides Thetaiotaomicron, Northeast Structural Genomics Consortium Target BTR319D

The structure of Crystal Structure of Protein BT_411 (Putative Chitobiase, Fragment 298-461) From Bacteroides Thetaiotaomicron, Northeast Structural Genomics Consortium Target BTR319D, PDB code: 3hnm was solved by A.Kuzin, M.Abashidze, J.Seetharaman, S.Sahdev, R.Xiao, C.Ciccosanti, E.L.Foote, D.Lee, J.K.Everett, R.Nair, T.B.Acton, B.Rost, G.T.Montelione, J.F.Hunt, L.Tong, Northeast Structural Genomics Consortium (Nesg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 3.00
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	141.520, 141.520, 232.366, 90.00, 90.00, 90.00
R / Rfree (%)	23.5 / 28.1

The binding sites of Magnesium atom in the Crystal Structure of Protein BT_411 (Putative Chitobiase, Fragment 298-461) From Bacteroides Thetaiotaomicron, Northeast Structural Genomics Consortium Target BTR319D (pdb code 3hnm). 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 Protein BT_411 (Putative Chitobiase, Fragment 298-461) From Bacteroides Thetaiotaomicron, Northeast Structural Genomics Consortium Target BTR319D, PDB code: 3hnm:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of Protein BT_411 (Putative Chitobiase, Fragment 298-461) From Bacteroides Thetaiotaomicron, Northeast Structural Genomics Consortium Target BTR319D


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 Protein BT_411 (Putative Chitobiase, Fragment 298-461) From Bacteroides Thetaiotaomicron, Northeast Structural Genomics Consortium Target BTR319D within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg173 b:26.0 occ:1.00 O A:SER43 2.6 40.7 1.0 O A:GLY158 2.6 40.5 1.0 O A:ASN48 2.6 50.6 1.0 OG1 A:THR51 2.8 43.5 1.0 OD2 A:ASP46 2.9 56.0 1.0 O A:THR51 2.9 43.7 1.0 OE2 A:GLU159 3.4 49.8 1.0 C A:SER43 3.6 40.8 1.0 CD A:GLU159 3.7 50.0 1.0 CB A:GLU159 3.7 42.7 1.0 C A:GLY158 3.8 40.3 1.0 C A:ASN48 3.8 51.6 1.0 C A:THR51 3.8 43.1 1.0 CA A:LEU44 3.8 44.6 1.0 CG A:ASP46 3.9 55.3 1.0 C A:LEU44 3.9 47.3 1.0 O A:LEU44 3.9 48.0 1.0 CG A:GLU159 4.0 46.5 1.0 CB A:THR51 4.1 44.4 1.0 N A:LEU44 4.1 42.2 1.0 OE1 A:GLU159 4.2 52.8 1.0 CA A:GLU159 4.3 42.4 1.0 CA A:PRO49 4.4 51.8 1.0 OD1 A:ASP46 4.4 54.4 1.0 CA A:THR51 4.4 44.0 1.0 N A:ASP46 4.5 51.4 1.0 N A:THR51 4.5 46.2 1.0 N A:PRO49 4.5 51.5 1.0 N A:GLU159 4.5 40.6 1.0 N A:ILE45 4.6 47.8 1.0 OG A:SER43 4.6 43.4 1.0 N A:GLN52 4.7 40.1 1.0 CA A:SER43 4.7 41.2 1.0 N A:ASN48 4.7 51.8 1.0 CA A:ASN48 4.8 52.1 1.0 CA A:GLY158 4.8 38.8 1.0 C A:PRO49 4.8 52.7 1.0 CA A:GLN52 4.9 36.2 1.0 CD1 A:LEU44 4.9 39.0 1.0 CB A:ASP46 5.0 54.4 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of Protein BT_411 (Putative Chitobiase, Fragment 298-461) From Bacteroides Thetaiotaomicron, Northeast Structural Genomics Consortium Target BTR319D


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 Protein BT_411 (Putative Chitobiase, Fragment 298-461) From Bacteroides Thetaiotaomicron, Northeast Structural Genomics Consortium Target BTR319D within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg173 b:43.3 occ:1.00 O B:ASN48 2.3 57.0 1.0 O B:SER43 2.6 43.2 1.0 OG1 B:THR51 2.7 47.7 1.0 O B:THR51 2.7 48.9 1.0 O B:GLY158 2.8 43.1 1.0 OD2 B:ASP46 2.8 58.6 1.0 C B:ASN48 3.5 57.8 1.0 OE2 B:GLU159 3.5 51.9 1.0 C B:THR51 3.7 48.2 1.0 CD B:GLU159 3.7 52.2 1.0 CG B:ASP46 3.8 58.6 1.0 CB B:GLU159 3.8 46.9 1.0 C B:GLY158 3.8 42.6 1.0 C B:SER43 3.8 44.7 1.0 OG B:SER43 3.9 47.9 1.0 CA B:PRO49 3.9 57.6 1.0 CG B:GLU159 4.0 50.1 1.0 CB B:THR51 4.0 48.2 1.0 OD1 B:ASP46 4.1 60.5 1.0 N B:PRO49 4.1 57.7 1.0 N B:THR51 4.2 49.9 1.0 C B:PRO49 4.2 57.3 1.0 CA B:THR51 4.2 48.8 1.0 OE1 B:GLU159 4.4 53.3 1.0 CA B:GLU159 4.5 45.5 1.0 CA B:LEU44 4.5 46.6 1.0 O B:PRO49 4.6 58.2 1.0 N B:GLU159 4.6 43.7 1.0 N B:LEU44 4.6 45.8 1.0 CA B:ASN48 4.6 58.3 1.0 N B:GLY50 4.7 56.0 1.0 N B:ASP46 4.7 54.9 1.0 N B:ASN48 4.7 57.9 1.0 C B:LEU44 4.7 47.7 1.0 CA B:GLY158 4.7 41.5 1.0 N B:GLN52 4.8 46.0 1.0 CA B:SER43 4.8 43.8 1.0 N B:ILE45 5.0 49.0 1.0 CB B:SER43 5.0 44.9 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of Protein BT_411 (Putative Chitobiase, Fragment 298-461) From Bacteroides Thetaiotaomicron, Northeast Structural Genomics Consortium Target BTR319D


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 Protein BT_411 (Putative Chitobiase, Fragment 298-461) From Bacteroides Thetaiotaomicron, Northeast Structural Genomics Consortium Target BTR319D within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg173 b:42.2 occ:1.00 O C:ASN48 2.3 51.8 1.0 O C:GLY158 2.5 41.3 1.0 O C:SER43 2.6 34.5 1.0 OG1 C:THR51 2.9 41.9 1.0 OD2 C:ASP46 2.9 50.4 1.0 C C:ASN48 3.2 52.0 1.0 O C:THR51 3.3 42.6 1.0 CB C:GLU159 3.3 46.8 1.0 C C:GLY158 3.6 41.7 1.0 CD C:GLU159 3.8 51.4 1.0 C C:SER43 3.8 36.3 1.0 OE2 C:GLU159 3.8 50.7 1.0 N C:PRO49 3.9 51.3 1.0 CG C:GLU159 3.9 49.4 1.0 CA C:PRO49 3.9 50.7 1.0 CA C:GLU159 4.0 45.8 1.0 N C:ASN48 4.0 51.8 1.0 CG C:ASP46 4.1 50.5 1.0 C C:THR51 4.1 41.1 1.0 CA C:ASN48 4.2 52.5 1.0 CB C:THR51 4.2 42.6 1.0 OE1 C:GLU159 4.2 53.8 1.0 N C:GLU159 4.2 43.2 1.0 OG C:SER43 4.3 37.9 1.0 CA C:LEU44 4.4 39.8 1.0 C C:LEU44 4.4 42.6 1.0 O C:LEU44 4.4 43.5 1.0 N C:THR51 4.5 44.8 1.0 C C:PRO49 4.5 50.5 1.0 CA C:THR51 4.5 42.4 1.0 N C:LEU44 4.6 36.9 1.0 OD1 C:ASP46 4.6 49.8 1.0 CA C:GLY158 4.6 38.9 1.0 N C:ASP46 4.8 49.5 1.0 N C:GLY50 4.9 50.2 1.0 CA C:SER43 4.9 36.6 1.0 C C:ASN47 4.9 53.0 1.0 N C:ILE45 4.9 44.6 1.0 OD1 C:ASN48 4.9 48.8 1.0 N C:ASN47 4.9 53.7 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of Protein BT_411 (Putative Chitobiase, Fragment 298-461) From Bacteroides Thetaiotaomicron, Northeast Structural Genomics Consortium Target BTR319D


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 Protein BT_411 (Putative Chitobiase, Fragment 298-461) From Bacteroides Thetaiotaomicron, Northeast Structural Genomics Consortium Target BTR319D within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg173 b:26.4 occ:1.00 O D:ASN48 2.5 49.8 1.0 OE1 D:GLU159 2.5 53.1 1.0 OG1 D:THR51 2.7 39.8 1.0 O D:GLY158 2.7 45.6 1.0 O D:SER43 2.8 30.5 1.0 OD2 D:ASP46 2.8 46.3 1.0 O D:THR51 2.9 39.2 1.0 C D:ASN48 3.5 50.4 1.0 C D:GLY158 3.5 44.9 1.0 CD D:GLU159 3.5 52.2 1.0 CA D:PRO49 3.5 49.2 1.0 CB D:GLU159 3.7 49.1 1.0 C D:THR51 3.8 39.0 1.0 N D:PRO49 3.9 49.6 1.0 C D:PRO49 3.9 49.0 1.0 CB D:THR51 3.9 40.0 1.0 CA D:GLU159 4.0 48.2 1.0 CG D:ASP46 4.0 45.5 1.0 C D:SER43 4.0 31.9 1.0 N D:GLU159 4.0 46.1 1.0 N D:THR51 4.0 40.0 1.0 CA D:THR51 4.2 39.4 1.0 O D:PRO49 4.2 49.9 1.0 CG D:GLU159 4.2 50.2 1.0 OG D:SER43 4.2 35.0 1.0 OE2 D:GLU159 4.4 53.6 1.0 CA D:GLY158 4.4 42.9 1.0 OD1 D:ASP46 4.5 44.9 1.0 N D:GLY50 4.5 47.7 1.0 O D:ASP46 4.5 44.2 1.0 CA D:ASN48 4.7 50.9 1.0 CA D:LEU44 4.8 34.8 1.0 N D:GLN52 4.8 36.9 1.0 N D:ASP46 4.8 41.7 1.0 N D:LEU44 4.8 31.9 1.0 C D:LEU44 4.9 37.3 1.0 CB D:PRO49 4.9 49.1 1.0 C D:ASP46 4.9 44.1 1.0 CA D:SER43 4.9 32.6 1.0 N D:ASN48 4.9 50.7 1.0 OD1 D:ASN48 5.0 44.6 1.0 O D:ASN47 5.0 50.6 1.0

A.Kuzin, M.Abashidze, J.Seetharaman, S.Sahdev, R.Xiao, C.Ciccosanti, E.L.Foote, D.Lee, J.K.Everett, R.Nair, T.B.Acton, B.Rost, G.T.Montelione, J.F.Hunt, L.Tong. Northeast Structural Genomics Consortium Target BTR319D To Be Published.