Chlorine in PDB 8w0h: Crystal Structure of Acetyl-Coa Synthetase 2 From Candida Albicans in Complex with An Isopropyl Amp Ester Inhibitor (Trigonal Form)

The structure of Crystal Structure of Acetyl-Coa Synthetase 2 From Candida Albicans in Complex with An Isopropyl Amp Ester Inhibitor (Trigonal Form), PDB code: 8w0h 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)	49.33 / 2.95
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	113.915, 113.915, 354.437, 90, 90, 120
R / Rfree (%)	18.8 / 22.4

The binding sites of Chlorine atom in the Crystal Structure of Acetyl-Coa Synthetase 2 From Candida Albicans in Complex with An Isopropyl Amp Ester Inhibitor (Trigonal Form) (pdb code 8w0h). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Acetyl-Coa Synthetase 2 From Candida Albicans in Complex with An Isopropyl Amp Ester Inhibitor (Trigonal Form), PDB code: 8w0h:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Acetyl-Coa Synthetase 2 From Candida Albicans in Complex with An Isopropyl Amp Ester Inhibitor (Trigonal Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Acetyl-Coa Synthetase 2 From Candida Albicans in Complex with An Isopropyl Amp Ester Inhibitor (Trigonal Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl701 b:95.4 occ:1.00 NZ A:LYS76 3.4 82.4 1.0 CE A:LYS76 3.8 77.7 1.0 CE1 A:PHE85 3.9 46.5 1.0 CD1 A:PHE85 4.5 45.8 1.0 CG2 A:VAL88 4.6 45.3 1.0 O A:PHE85 4.7 47.1 1.0 CZ A:PHE85 4.8 45.2 1.0 O A:HIS86 4.9 50.5 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Acetyl-Coa Synthetase 2 From Candida Albicans in Complex with An Isopropyl Amp Ester Inhibitor (Trigonal Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Acetyl-Coa Synthetase 2 From Candida Albicans in Complex with An Isopropyl Amp Ester Inhibitor (Trigonal Form) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl702 b:81.9 occ:1.00 O B:PHE85 3.9 40.8 1.0 NZ B:LYS76 4.0 79.1 1.0 O B:HIS86 4.2 45.0 1.0 CE1 B:PHE85 4.3 44.1 1.0 CD1 B:PHE85 4.5 39.8 1.0 C B:HIS86 4.5 44.5 1.0 CE B:LYS76 4.5 75.5 1.0 CA B:HIS86 4.6 41.5 1.0 C B:PHE85 4.9 40.6 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Acetyl-Coa Synthetase 2 From Candida Albicans in Complex with An Isopropyl Amp Ester Inhibitor (Trigonal Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Acetyl-Coa Synthetase 2 From Candida Albicans in Complex with An Isopropyl Amp Ester Inhibitor (Trigonal Form) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl701 b:83.9 occ:1.00 NZ C:LYS76 3.8 90.6 1.0 O C:PHE85 4.0 54.6 1.0 CE1 C:PHE85 4.2 52.7 1.0 CE C:LYS76 4.2 82.3 1.0 O C:HIS86 4.3 57.4 1.0 CD1 C:PHE85 4.4 45.2 1.0 C C:HIS86 4.7 47.7 1.0 CA C:HIS86 4.8 43.6 1.0 C C:PHE85 4.9 43.6 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 (Trigonal Form) To Be Published.