Sodium in PDB 3mux: The Crystal Structure of A Putative 4-Hydroxy-2-Oxoglutarate Aldolase From Bacillus Anthracis to 1.45A

The structure of The Crystal Structure of A Putative 4-Hydroxy-2-Oxoglutarate Aldolase From Bacillus Anthracis to 1.45A, PDB code: 3mux was solved by A.J.Stein, C.Hatzos-Skintges, S.Clancy, A.Joachimiak, Midwest Center Forstructural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.15 / 1.45
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.669, 68.431, 131.081, 90.00, 90.00, 90.00
R / Rfree (%)	14.8 / 17.9

The structure of The Crystal Structure of A Putative 4-Hydroxy-2-Oxoglutarate Aldolase From Bacillus Anthracis to 1.45A also contains other interesting chemical elements:

Chlorine

(Cl)

3 atoms

The binding sites of Sodium atom in the The Crystal Structure of A Putative 4-Hydroxy-2-Oxoglutarate Aldolase From Bacillus Anthracis to 1.45A (pdb code 3mux). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the The Crystal Structure of A Putative 4-Hydroxy-2-Oxoglutarate Aldolase From Bacillus Anthracis to 1.45A, PDB code: 3mux:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the The Crystal Structure of A Putative 4-Hydroxy-2-Oxoglutarate Aldolase From Bacillus Anthracis to 1.45A


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of The Crystal Structure of A Putative 4-Hydroxy-2-Oxoglutarate Aldolase From Bacillus Anthracis to 1.45A within 5.0Å range: probe atom residue distance (Å) B Occ A:Na253 b:11.8 occ:1.00 O A:HOH304 3.0 33.8 1.0 O A:HOH300 3.1 34.7 1.0 N A:LEU70 3.2 11.9 1.0 N A:GLY71 3.3 14.4 1.0 NZ A:LYS162 3.4 21.8 1.0 CB A:ASN94 3.6 9.0 1.0 N A:GLY73 3.6 16.1 1.0 CB A:LEU70 3.6 12.8 1.0 CG A:ASN94 3.8 10.0 1.0 CA A:LEU70 3.8 13.1 1.0 N A:ALA72 4.0 17.4 1.0 C A:LEU70 4.0 14.2 1.0 CA A:GLY69 4.1 11.7 1.0 C A:GLY69 4.1 12.4 1.0 OD1 A:ASN94 4.2 11.5 1.0 CA A:GLY71 4.2 15.2 1.0 CG A:LEU70 4.2 12.9 1.0 CA A:GLY73 4.2 15.5 1.0 ND2 A:ASN94 4.2 11.6 1.0 CD1 A:LEU70 4.2 13.8 1.0 C A:GLY71 4.2 16.1 1.0 O A:HOH378 4.3 22.2 1.0 OH A:TYR220 4.6 19.2 1.0 C A:ALA72 4.7 17.6 1.0 CA A:ALA72 4.8 17.9 1.0 CE A:LYS162 4.8 19.2 1.0 O A:GLY71 5.0 16.1 1.0

Sodium binding site 2 out of 2 in the The Crystal Structure of A Putative 4-Hydroxy-2-Oxoglutarate Aldolase From Bacillus Anthracis to 1.45A


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of The Crystal Structure of A Putative 4-Hydroxy-2-Oxoglutarate Aldolase From Bacillus Anthracis to 1.45A within 5.0Å range: probe atom residue distance (Å) B Occ B:Na254 b:13.3 occ:1.00 O B:HOH481 2.4 27.1 1.0 O B:HOH546 2.4 31.3 1.0 O A:HOH326 2.4 25.3 1.0 O B:HOH373 4.4 31.9 1.0 OE2 A:GLU139 4.4 22.2 1.0 O B:HOH274 4.5 32.7 1.0 OE2 B:GLU185 4.6 24.5 1.0 OE1 B:GLU185 4.7 27.3 1.0 O B:HOH417 4.7 36.8 1.0

A.J.Stein, C.Hatzos-Skintges, S.Clancy, A.Joachimiak. The Crystal Structure of A Putative 4-Hydroxy-2-Oxoglutarate Aldolase From Bacillus Anthracis to 1.45A To Be Published.