Magnesium in PDB 1n2g: Crystal Structure of A Pantothenate Synthetase From M. Tuberculosis in Complex with Ampcpp

All present enzymatic activity of Crystal Structure of A Pantothenate Synthetase From M. Tuberculosis in Complex with Ampcpp:
6.3.2.1;

The structure of Crystal Structure of A Pantothenate Synthetase From M. Tuberculosis in Complex with Ampcpp, PDB code: 1n2g was solved by S.Wang, D.Eisenberg, Tb Structural Genomics Consortium (Tbsgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.84 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	48.308, 70.913, 81.875, 90.00, 99.31, 90.00
R / Rfree (%)	19.2 / 22.3

The binding sites of Magnesium atom in the Crystal Structure of A Pantothenate Synthetase From M. Tuberculosis in Complex with Ampcpp (pdb code 1n2g). 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 Pantothenate Synthetase From M. Tuberculosis in Complex with Ampcpp, PDB code: 1n2g:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of A Pantothenate Synthetase From M. Tuberculosis in Complex with Ampcpp


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 Pantothenate Synthetase From M. Tuberculosis in Complex with Ampcpp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg901 b:77.0 occ:1.00 O A:HOH1018 1.9 51.1 1.0 O1G A:APC801 2.0 56.5 1.0 O A:HOH978 2.0 39.7 1.0 O2B A:APC801 2.2 58.0 1.0 PB A:APC801 2.7 57.8 1.0 O3B A:APC801 2.8 59.2 1.0 PG A:APC801 2.9 56.9 1.0 C3A A:APC801 2.9 55.5 1.0 NH2 A:ARG198 3.6 46.2 1.0 O3G A:APC801 3.8 54.5 1.0 O2A A:APC801 3.8 57.3 1.0 PA A:APC801 3.9 50.7 1.0 OD2 A:ASP161 4.0 29.8 1.0 OD1 A:ASP161 4.0 28.1 1.0 O2G A:APC801 4.1 59.0 1.0 NZ A:LYS160 4.1 38.9 1.0 O1B A:APC801 4.2 63.9 1.0 CG A:ASP161 4.4 28.4 1.0 O5' A:APC801 4.4 46.9 1.0 CE A:LYS160 4.5 37.3 1.0 CZ A:ARG198 4.6 47.6 1.0 OG A:SER196 4.6 39.7 1.0 NE A:ARG198 4.8 44.8 1.0 OH A:TYR82 4.9 39.4 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of A Pantothenate Synthetase From M. Tuberculosis in Complex with Ampcpp


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 Pantothenate Synthetase From M. Tuberculosis in Complex with Ampcpp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg902 b:52.6 occ:1.00 O2B B:APC802 1.8 42.1 1.0 O B:HOH973 1.9 36.9 1.0 O B:HOH992 2.0 39.0 1.0 O1G B:APC802 2.2 38.0 1.0 O2A B:APC802 2.5 41.2 1.0 PB B:APC802 3.0 43.2 1.0 O3B B:APC802 3.3 44.1 1.0 PG B:APC802 3.3 40.1 1.0 PA B:APC802 3.5 42.1 1.0 NZ B:LYS160 3.7 32.9 1.0 OD2 B:ASP161 3.7 23.6 1.0 C3A B:APC802 3.7 40.0 1.0 OD1 B:ASP161 3.9 19.6 1.0 O5' B:APC802 4.0 32.2 1.0 O1B B:APC802 4.1 34.7 1.0 CG B:ASP161 4.2 22.6 1.0 CE B:LYS160 4.2 26.8 1.0 O3G B:APC802 4.3 41.1 1.0 NH2 B:ARG198 4.3 49.2 1.0 O2G B:APC802 4.5 43.1 1.0 OG B:SER196 4.7 41.9 1.0 O1A B:APC802 4.8 41.7 1.0 C8 B:APC802 4.9 24.7 1.0

S.Wang, D.Eisenberg. Crystal Structures of A Pantothenate Synthetase From M. Tuberculosis and Its Complexes with Substrates and A Reaction Intermediate Protein Sci. V. 12 1097 2003.
ISSN: ISSN 0961-8368
PubMed: 12717031
DOI: 10.1110/PS.0241803