Magnesium in PDB 4nye: Structures of Saicar Synthetase (Purc) From Streptococcus Pneumoniae with Adp, MG2+, Air and L-Asp

All present enzymatic activity of Structures of Saicar Synthetase (Purc) From Streptococcus Pneumoniae with Adp, MG2+, Air and L-Asp:
6.3.2.6;

The structure of Structures of Saicar Synthetase (Purc) From Streptococcus Pneumoniae with Adp, MG2+, Air and L-Asp, PDB code: 4nye was solved by L.W.-M.Fung, M.E.Johnson, C.Abad-Zapatero, N.M.Wolf, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.44 / 2.69
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	45.931, 65.111, 85.837, 90.00, 91.96, 90.00
R / Rfree (%)	22.8 / 31.5

The structure of Structures of Saicar Synthetase (Purc) From Streptococcus Pneumoniae with Adp, MG2+, Air and L-Asp also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Magnesium atom in the Structures of Saicar Synthetase (Purc) From Streptococcus Pneumoniae with Adp, MG2+, Air and L-Asp (pdb code 4nye). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structures of Saicar Synthetase (Purc) From Streptococcus Pneumoniae with Adp, MG2+, Air and L-Asp, PDB code: 4nye:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structures of Saicar Synthetase (Purc) From Streptococcus Pneumoniae with Adp, MG2+, Air and L-Asp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structures of Saicar Synthetase (Purc) From Streptococcus Pneumoniae with Adp, MG2+, Air and L-Asp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:48.1 occ:1.00 O3B A:ADP302 2.2 44.7 1.0 O2A A:ADP302 2.5 34.5 1.0 O A:HOH486 2.9 59.4 1.0 O3A A:ADP302 3.2 44.6 1.0 PB A:ADP302 3.3 46.7 1.0 OD2 A:ASP191 3.3 33.4 1.0 PA A:ADP302 3.4 40.6 1.0 OE1 A:GLU178 3.6 41.9 1.0 NZ A:LYS12 3.9 45.6 1.0 OD1 A:ASP191 3.9 33.3 1.0 O2B A:ADP302 4.0 45.1 1.0 O A:HOH409 4.0 33.0 1.0 CG A:ASP191 4.0 32.2 1.0 NZ A:LYS122 4.2 46.3 1.0 O1A A:ADP302 4.3 37.9 1.0 O1B A:ADP302 4.5 40.0 1.0 OE1 A:GLU192 4.6 33.1 1.0 O5' A:ADP302 4.7 38.1 1.0 CD A:GLU178 4.7 37.7 1.0 C5' A:ADP302 4.9 38.6 1.0 C3' A:ADP302 4.9 40.4 1.0

Magnesium binding site 2 out of 2 in the Structures of Saicar Synthetase (Purc) From Streptococcus Pneumoniae with Adp, MG2+, Air and L-Asp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structures of Saicar Synthetase (Purc) From Streptococcus Pneumoniae with Adp, MG2+, Air and L-Asp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg301 b:52.2 occ:1.00 O3B B:ADP302 2.2 46.2 1.0 O B:HOH455 2.6 38.6 1.0 O2A B:ADP302 2.9 39.2 1.0 OD2 B:ASP191 3.2 32.6 1.0 PB B:ADP302 3.6 45.3 1.0 PA B:ADP302 3.8 40.8 1.0 O3A B:ADP302 3.9 43.9 1.0 CG B:ASP191 4.1 34.5 1.0 OD1 B:ASP191 4.2 36.4 1.0 OE1 B:GLU178 4.3 35.0 1.0 NZ B:LYS12 4.3 60.6 1.0 O2B B:ADP302 4.3 43.4 1.0 O1A B:ADP302 4.5 38.7 1.0 OE1 B:GLU192 4.6 31.1 1.0 O1B B:ADP302 4.7 42.4 1.0

N.M.Wolf, C.Abad-Zapatero, M.E.Johnson, L.W.Fung. Structures of Saicar Synthetase (Purc) From Streptococcus Pneumoniae with Adp, Mg(2+), Air and Asp. Acta Crystallogr.,Sect.D V. 70 841 2014.
ISSN: ISSN 0907-4449
PubMed: 24598753
DOI: 10.1107/S139900471303366X