Sodium in PDB 8w0d: Crystal Structure of Acetyl-Coa Synthetase 2 From Candida Albicans in Complex with An Isopropyl Amp Ester Inhibitor

The structure of Crystal Structure of Acetyl-Coa Synthetase 2 From Candida Albicans in Complex with An Isopropyl Amp Ester Inhibitor, PDB code: 8w0d was solved by Seattle Structural Genomics Center For Infectious Disease, Seattlestructural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.61 / 2.70
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	139.487, 139.487, 544.117, 90, 90, 120
R / Rfree (%)	18.4 / 22.6

The structure of Crystal Structure of Acetyl-Coa Synthetase 2 From Candida Albicans in Complex with An Isopropyl Amp Ester Inhibitor also contains other interesting chemical elements:

Chlorine

(Cl)

5 atoms

The binding sites of Sodium atom in the Crystal Structure of Acetyl-Coa Synthetase 2 From Candida Albicans in Complex with An Isopropyl Amp Ester Inhibitor (pdb code 8w0d). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Crystal Structure of Acetyl-Coa Synthetase 2 From Candida Albicans in Complex with An Isopropyl Amp Ester Inhibitor, PDB code: 8w0d:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Crystal Structure of Acetyl-Coa Synthetase 2 From Candida Albicans in Complex with An Isopropyl Amp Ester Inhibitor


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of Acetyl-Coa Synthetase 2 From Candida Albicans in Complex with An Isopropyl Amp Ester Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Na703 b:50.1 occ:1.00 O C:HOH813 2.5 40.6 1.0 O A:HOH948 2.6 43.9 1.0 O B:HOH851 2.9 45.9 1.0 O C:HOH804 3.0 39.5 1.0 OE1 A:GLU105 3.3 61.0 1.0 O B:HOH910 3.4 48.4 1.0 CD A:GLU105 4.1 53.7 1.0 OE2 A:GLU105 4.2 60.1 1.0 NA C:NA702 4.5 54.5 1.0 OE1 C:GLU105 4.5 65.7 1.0 CB A:SER282 4.9 43.2 1.0 OE2 C:GLU105 4.9 67.7 1.0 O B:HOH807 5.0 48.6 1.0

Sodium binding site 2 out of 2 in the Crystal Structure of Acetyl-Coa Synthetase 2 From Candida Albicans in Complex with An Isopropyl Amp Ester Inhibitor


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Crystal Structure of Acetyl-Coa Synthetase 2 From Candida Albicans in Complex with An Isopropyl Amp Ester Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ C:Na702 b:54.5 occ:1.00 O A:HOH919 2.3 49.5 1.0 O A:HOH948 2.5 43.9 1.0 O B:HOH924 2.5 48.9 1.0 O B:HOH910 2.9 48.4 1.0 CD2 C:HIS83 3.3 50.4 1.0 CD2 B:HIS83 3.8 49.3 1.0 O2 A:GOL701 4.0 61.8 1.0 CG C:HIS83 4.1 51.3 1.0 O C:ASP82 4.2 54.4 1.0 CB C:HIS83 4.3 49.4 1.0 NE2 C:HIS83 4.4 45.3 1.0 NE2 B:HIS83 4.4 47.2 1.0 NA A:NA703 4.5 50.1 1.0 O C:HOH813 4.6 40.6 1.0 OE1 C:GLU105 4.6 65.7 1.0 C2 A:GOL701 4.7 70.2 1.0 C1 A:GOL701 4.8 59.6 1.0 C3 A:GOL701 4.8 65.1 1.0 CD2 A:HIS83 4.8 47.5 1.0 O B:HOH846 4.8 44.8 1.0 CG B:HIS83 4.9 48.9 1.0

L.Liu, S.Lovell, K.P.Battaile. Crystal Structure of Acetyl-Coa Synthetase 2 From Candida Albicans in Complex with An Isopropyl Amp Ester Inhibitor To Be Published.