Sodium in PDB 8w0b: Crystal Structure of Acetyl-Coa Synthetase 2 From Candida Albicans in Complex with A Cyclopropyl Amp Ester Inhibitor

The structure of Crystal Structure of Acetyl-Coa Synthetase 2 From Candida Albicans in Complex with A Cyclopropyl Amp Ester Inhibitor, PDB code: 8w0b 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)	49.65 / 2.30
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	139.779, 139.779, 544.422, 90, 90, 120
R / Rfree (%)	18.7 / 21.9

The binding sites of Sodium atom in the Crystal Structure of Acetyl-Coa Synthetase 2 From Candida Albicans in Complex with A Cyclopropyl Amp Ester Inhibitor (pdb code 8w0b). 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 Cyclopropyl Amp Ester Inhibitor, PDB code: 8w0b:
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 Cyclopropyl 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 A Cyclopropyl Amp Ester Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Na702 b:40.8 occ:1.00 O C:HOH871 2.2 41.2 1.0 O A:HOH967 2.3 40.1 1.0 O B:HOH979 2.3 41.5 1.0 O A:HOH1024 2.4 39.2 1.0 O C:HOH856 2.4 39.6 1.0 O B:HOH1017 2.4 42.9 1.0 NA B:NA702 3.4 41.9 1.0 O B:HOH818 3.8 45.4 1.0 CD2 A:HIS83 3.9 38.7 1.0 CD2 B:HIS83 3.9 43.6 1.0 O C:HOH805 4.0 47.5 1.0 O A:HOH897 4.0 42.5 1.0 CD2 C:HIS83 4.0 41.2 1.0 O2 B:GOL703 4.5 64.3 1.0 C3 B:GOL703 4.6 50.2 1.0 C1 B:GOL703 4.7 60.4 1.0 NE2 A:HIS83 4.8 39.7 1.0 O A:HOH1044 4.8 49.7 1.0 CG A:HIS83 4.8 39.8 1.0 O C:HOH870 4.8 49.0 1.0 NE2 B:HIS83 4.9 43.8 1.0 CG B:HIS83 4.9 42.4 1.0 C2 B:GOL703 4.9 65.6 1.0 NE2 C:HIS83 4.9 48.0 1.0 CG C:HIS83 4.9 43.1 1.0 O A:HOH955 5.0 43.3 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 Cyclopropyl 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 A Cyclopropyl Amp Ester Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:Na702 b:41.9 occ:1.00 O A:HOH955 2.3 43.3 1.0 O C:HOH840 2.3 40.5 1.0 O B:HOH929 2.5 41.2 1.0 O A:HOH1024 2.5 39.2 1.0 O B:HOH1017 2.5 42.9 1.0 O C:HOH871 2.6 41.2 1.0 NA A:NA702 3.4 40.8 1.0 O B:HOH803 3.8 44.0 1.0 O A:HOH810 3.9 37.4 1.0 O C:HOH802 4.1 45.7 1.0 OE1 C:GLU105 4.1 50.3 1.0 OE1 B:GLU105 4.2 56.5 1.0 O C:HOH805 4.2 47.5 1.0 OE1 A:GLU105 4.3 54.3 1.0 O A:HOH897 4.4 42.5 1.0 O B:HOH818 4.4 45.4 1.0 O C:HOH870 4.8 49.0 1.0 OE2 C:GLU105 4.8 53.8 1.0 CD C:GLU105 4.8 55.7 1.0 O A:HOH1044 4.9 49.7 1.0 OE2 B:GLU105 4.9 58.6 1.0 CD B:GLU105 5.0 54.2 1.0

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