Sodium in PDB 8w0c: Crystal Structure of Acetyl-Coa Synthetase 2 From Candida Albicans in Complex with A Cyclopentyl Ester Amp Inhibitor

The structure of Crystal Structure of Acetyl-Coa Synthetase 2 From Candida Albicans in Complex with A Cyclopentyl Ester Amp Inhibitor, PDB code: 8w0c 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)	49.58 / 2.35
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	139.409, 139.409, 543.793, 90, 90, 120
R / Rfree (%)	18.1 / 21

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

Chlorine

(Cl)

1 atom

The binding sites of Sodium atom in the Crystal Structure of Acetyl-Coa Synthetase 2 From Candida Albicans in Complex with A Cyclopentyl Ester Amp Inhibitor (pdb code 8w0c). 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 A Cyclopentyl Ester Amp Inhibitor, PDB code: 8w0c:
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 A Cyclopentyl Ester Amp 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 A Cyclopentyl Ester Amp Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Na702 b:42.1 occ:1.00 O C:HOH870 2.2 40.0 1.0 O C:HOH860 2.3 42.7 1.0 O A:HOH917 2.3 42.3 1.0 O B:HOH996 2.3 41.6 1.0 O A:HOH1022 2.5 41.5 1.0 O B:HOH990 2.6 39.0 1.0 NA B:NA702 3.4 44.0 1.0 O C:HOH825 3.8 45.5 1.0 CD2 C:HIS83 3.9 45.8 1.0 CD2 A:HIS83 4.0 38.5 1.0 O A:HOH802 4.0 47.9 1.0 O B:HOH835 4.0 45.3 1.0 CD2 B:HIS83 4.1 44.4 1.0 O2 B:GOL704 4.4 63.6 1.0 C1 B:GOL704 4.6 65.6 1.0 C3 B:GOL704 4.7 59.0 1.0 NE2 C:HIS83 4.8 47.9 1.0 CG C:HIS83 4.8 42.4 1.0 O C:HOH873 4.8 50.0 1.0 C2 B:GOL704 4.8 67.0 1.0 CG A:HIS83 4.9 37.9 1.0 NE2 A:HIS83 4.9 39.2 1.0 O B:HOH963 4.9 42.0 1.0 O A:ASP82 4.9 35.7 1.0 O A:HOH987 5.0 40.1 1.0 NE2 B:HIS83 5.0 38.4 1.0

Sodium binding site 2 out of 2 in the Crystal Structure of Acetyl-Coa Synthetase 2 From Candida Albicans in Complex with A Cyclopentyl Ester Amp 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 A Cyclopentyl Ester Amp Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:Na702 b:44.0 occ:1.00 O B:HOH963 2.3 42.0 1.0 O C:HOH849 2.3 38.7 1.0 O A:HOH987 2.3 40.1 1.0 O A:HOH1022 2.5 41.5 1.0 O B:HOH990 2.5 39.0 1.0 O C:HOH870 2.5 40.0 1.0 NA A:NA702 3.4 42.1 1.0 O B:HOH802 3.9 43.4 1.0 O A:HOH803 4.0 37.1 1.0 O C:HOH801 4.0 41.3 1.0 OE1 C:GLU105 4.1 49.5 1.0 OE1 B:GLU105 4.1 57.4 1.0 OE1 A:GLU105 4.3 58.1 1.0 O B:HOH835 4.3 45.3 1.0 O A:HOH802 4.3 47.9 1.0 O C:HOH825 4.3 45.5 1.0 OE2 C:GLU105 4.8 61.4 1.0 O C:HOH873 4.8 50.0 1.0 CD C:GLU105 4.9 58.0 1.0 OE2 B:GLU105 4.9 62.1 1.0 CD B:GLU105 4.9 55.2 1.0 O B:HOH996 5.0 41.6 1.0

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