Magnesium in PDB 7mpt: Brucella Melitensis Nrnc with Bound MG2+

All present enzymatic activity of Brucella Melitensis Nrnc with Bound MG2+:
3.1.13.5;

The structure of Brucella Melitensis Nrnc with Bound MG2+, PDB code: 7mpt was solved by J.D.Lormand, H.Sondermann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	61.98 / 1.75
Space group	P 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	93.314, 93.314, 123.962, 90, 90, 90
R / Rfree (%)	16.9 / 18.2

The binding sites of Magnesium atom in the Brucella Melitensis Nrnc with Bound MG2+ (pdb code 7mpt). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Brucella Melitensis Nrnc with Bound MG2+, PDB code: 7mpt:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Brucella Melitensis Nrnc with Bound MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Brucella Melitensis Nrnc with Bound MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:28.8 occ:1.00 OE2 A:GLU26 2.6 28.7 1.0 O A:HOH608 2.7 51.0 1.0 OD2 A:ASP154 2.8 31.8 1.0 O A:THR25 3.1 22.3 1.0 OD2 A:ASP24 3.1 32.4 1.0 O A:HOH474 3.2 42.8 1.0 OD1 A:ASP24 3.2 27.4 1.0 CG A:ASP24 3.3 27.3 1.0 CD A:GLU26 3.3 31.1 1.0 OE1 A:GLU26 3.6 25.0 1.0 NE2 A:GLN41 3.6 22.3 1.0 CG A:ASP154 3.7 33.8 1.0 O A:HOH487 3.8 30.5 1.0 O A:HOH477 4.0 34.8 1.0 C A:THR25 4.2 22.9 1.0 CB A:ASP24 4.3 24.5 1.0 OD1 A:ASP154 4.3 32.4 1.0 N A:THR25 4.5 20.8 1.0 CB A:ASP154 4.5 27.6 1.0 CG A:GLU26 4.5 24.1 1.0 CD A:GLN41 4.7 22.1 1.0 O A:HOH690 5.0 45.5 1.0

Magnesium binding site 2 out of 4 in the Brucella Melitensis Nrnc with Bound MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Brucella Melitensis Nrnc with Bound MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:25.9 occ:1.00 OD2 A:ASP83 2.5 37.5 1.0 O A:HIS78 2.6 22.8 1.0 O A:HOH546 2.7 35.0 1.0 OD1 A:ASP24 2.8 27.4 1.0 O A:HOH461 2.8 21.1 1.0 O A:HOH474 2.9 42.8 1.0 CG A:ASP24 3.2 27.3 1.0 OD2 A:ASP24 3.3 32.4 1.0 CG A:ASP83 3.5 29.3 1.0 OD1 A:ASP83 3.7 31.9 1.0 O A:HOH487 3.8 30.5 1.0 C A:HIS78 3.8 23.7 1.0 O A:PHE79 3.9 24.2 1.0 O A:HOH492 4.1 23.1 1.0 CB A:ASP24 4.4 24.5 1.0 N A:HIS78 4.4 17.2 1.0 C A:PHE79 4.5 20.9 1.0 CA A:HIS78 4.6 18.6 1.0 CA A:ASP24 4.7 21.8 1.0 N A:PHE79 4.8 20.9 1.0 CB A:HIS78 4.8 17.1 1.0 CB A:PHE79 4.8 22.9 1.0 CB A:ASP83 4.9 21.9 1.0 CA A:PHE79 4.9 22.4 1.0

Magnesium binding site 3 out of 4 in the Brucella Melitensis Nrnc with Bound MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Brucella Melitensis Nrnc with Bound MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg301 b:36.0 occ:1.00 O B:HOH629 2.7 36.6 0.5 OE2 B:GLU26 2.7 31.1 1.0 OD2 B:ASP24 2.8 37.3 1.0 O B:THR25 2.8 23.3 1.0 OD2 B:ASP154 3.0 39.2 1.0 CG B:ASP24 3.2 30.7 1.0 CD B:GLU26 3.2 32.7 1.0 OE1 B:GLU26 3.4 26.6 1.0 OD1 B:ASP24 3.4 31.5 1.0 O B:HOH521 3.7 31.2 1.0 O B:HOH629 3.8 40.6 0.5 NE2 B:GLN41 3.9 25.6 1.0 C B:THR25 3.9 25.5 1.0 O B:HOH463 4.0 38.7 1.0 O B:HOH416 4.0 41.8 1.0 CG B:ASP154 4.0 45.5 1.0 CB B:ASP24 4.3 28.1 1.0 N B:THR25 4.4 24.6 1.0 CG B:GLU26 4.5 22.2 1.0 CB B:ASP154 4.6 37.5 1.0 N B:GLU26 4.8 20.6 1.0 CA B:THR25 4.9 23.9 1.0 CD B:GLN41 4.9 29.5 1.0 CA B:GLU26 4.9 20.1 1.0 O B:HOH446 4.9 29.3 1.0 OD1 B:ASP154 4.9 51.0 1.0

Magnesium binding site 4 out of 4 in the Brucella Melitensis Nrnc with Bound MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Brucella Melitensis Nrnc with Bound MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg302 b:25.3 occ:1.00 OD2 B:ASP83 2.4 42.7 1.0 O B:HOH545 2.5 44.7 1.0 O B:HOH420 2.7 29.8 1.0 O B:HOH476 2.7 24.5 1.0 OD1 B:ASP24 2.7 31.5 1.0 O B:HIS78 2.8 23.5 1.0 CG B:ASP24 3.3 30.7 1.0 O B:HOH594 3.3 46.0 1.0 CG B:ASP83 3.4 28.4 1.0 OD2 B:ASP24 3.5 37.3 1.0 OD1 B:ASP83 3.7 31.1 1.0 C B:HIS78 3.9 22.3 1.0 O B:HOH473 4.0 30.1 1.0 O B:HOH521 4.0 31.2 1.0 CB B:ASP24 4.4 28.1 1.0 N B:HIS78 4.4 21.1 1.0 O B:PHE79 4.5 21.1 1.0 CA B:HIS78 4.6 21.7 1.0 CA B:ASP24 4.6 24.1 1.0 CB B:HIS78 4.7 26.8 1.0 O B:HOH662 4.7 42.9 1.0 CB B:ASP83 4.7 22.4 1.0 C B:PHE79 4.9 19.4 1.0 O B:ILE23 5.0 21.1 1.0

J.D.Lormand, H.Sondermann. Structural Characterization of Nrnc Identifies Unifying Features of Dinucleotidases To Be Published.