Magnesium in PDB 8hiu: Crystal Structure of O-Carbamoyltransferase Vtdb and the Compound Vtdb with Carbamoyladenylate From Streptomyces Sp. NO1W98

The structure of Crystal Structure of O-Carbamoyltransferase Vtdb and the Compound Vtdb with Carbamoyladenylate From Streptomyces Sp. NO1W98, PDB code: 8hiu was solved by D.Rao, Y.Teng, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.05 / 2.99
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	64.804, 216.678, 70.573, 90, 113.39, 90
R / Rfree (%)	21.4 / 27.4

The binding sites of Magnesium atom in the Crystal Structure of O-Carbamoyltransferase Vtdb and the Compound Vtdb with Carbamoyladenylate From Streptomyces Sp. NO1W98 (pdb code 8hiu). 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 O-Carbamoyltransferase Vtdb and the Compound Vtdb with Carbamoyladenylate From Streptomyces Sp. NO1W98, PDB code: 8hiu:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of O-Carbamoyltransferase Vtdb and the Compound Vtdb with Carbamoyladenylate From Streptomyces Sp. NO1W98


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 O-Carbamoyltransferase Vtdb and the Compound Vtdb with Carbamoyladenylate From Streptomyces Sp. NO1W98 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg601 b:21.0 occ:1.00 OD2 A:ASP180 1.2 41.6 1.0 OD1 A:ASP363 1.8 37.9 1.0 NE2 A:HIS161 2.1 57.8 1.0 CG A:ASP180 2.3 50.5 1.0 NE2 A:HIS157 2.4 37.4 1.0 CE1 A:HIS161 2.5 52.1 1.0 CD2 A:HIS157 2.7 36.5 1.0 OD1 A:ASP180 2.8 56.0 1.0 CG A:ASP363 2.8 37.6 1.0 OD2 A:ASP363 3.2 33.5 1.0 CD2 A:HIS161 3.3 58.4 1.0 CB A:ASP180 3.5 47.3 1.0 CE1 A:HIS157 3.6 38.3 1.0 ND1 A:HIS161 3.8 47.6 1.0 O A:GLN182 3.8 90.8 1.0 CG A:HIS157 3.9 35.4 1.0 CG A:HIS161 4.1 48.9 1.0 CB A:ASP363 4.2 33.8 1.0 ND1 A:HIS157 4.4 34.4 1.0 CA A:ASP363 4.5 33.8 1.0 CG1 A:VAL366 4.6 31.3 1.0 CA A:ASP180 4.8 46.1 1.0 N A:GLY181 5.0 57.3 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of O-Carbamoyltransferase Vtdb and the Compound Vtdb with Carbamoyladenylate From Streptomyces Sp. NO1W98


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 O-Carbamoyltransferase Vtdb and the Compound Vtdb with Carbamoyladenylate From Streptomyces Sp. NO1W98 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg601 b:27.6 occ:1.00 OD2 B:ASP180 1.3 49.5 1.0 OD1 B:ASP363 2.2 41.3 1.0 NE2 B:HIS157 2.3 60.5 1.0 NE2 B:HIS161 2.5 56.6 1.0 CG B:ASP180 2.6 62.5 1.0 CD2 B:HIS157 2.7 63.0 1.0 CG B:ASP363 3.3 42.3 1.0 CE1 B:HIS161 3.4 57.5 1.0 OD1 B:ASP180 3.4 69.4 1.0 CD2 B:HIS161 3.5 61.7 1.0 CE1 B:HIS157 3.6 61.8 1.0 CB B:ASP180 3.6 55.5 1.0 OD2 B:ASP363 3.8 43.0 1.0 CG B:HIS157 4.0 62.4 1.0 ND1 B:HIS157 4.4 60.2 1.0 O B:GLN182 4.5 94.2 1.0 ND1 B:HIS161 4.5 65.4 1.0 CG B:HIS161 4.6 63.5 1.0 CB B:ASP363 4.6 39.7 1.0 CG1 B:VAL366 4.8 37.1 1.0 CA B:ASP363 4.8 39.5 1.0 N B:ASP363 5.0 39.5 1.0

D.Rao, Y.Teng. Crystal Structure of O-Carbamoyltransferase Vtdb and the Compound Vtdb with Carbamoyladenylate From Streptomyces Sp. NO1W98 To Be Published.