Chlorine 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:

Sodium

(Na)

2 atoms

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 (pdb code 8w0d). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 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, PDB code: 8w0d:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 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 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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl706 b:81.3 occ:1.00 OG C:SER90 3.7 56.8 1.0 N C:GLY91 4.1 50.8 1.0 O A:ALA117 4.5 56.1 1.0 CB A:PRO121 4.5 57.7 1.0 O C:HOH809 4.5 56.8 1.0 CA C:GLY91 4.5 57.6 1.0 OD2 C:ASP97 4.7 65.2 1.0 CD2 A:LEU145 4.7 47.0 1.0 CB C:SER90 4.8 53.9 1.0 CD1 A:PHE118 4.9 55.4 1.0 C A:ALA117 5.0 52.7 1.0 CB A:ALA117 5.0 52.3 1.0

Chlorine binding site 2 out of 5 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 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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl707 b:75.9 occ:1.00 N A:GLY91 3.8 42.3 1.0 CB B:PRO121 4.0 46.1 1.0 O A:HOH877 4.1 40.4 1.0 OG A:SER90 4.2 58.2 1.0 CA A:GLY91 4.2 38.6 1.0 O B:ALA117 4.4 49.7 1.0 CG B:PRO121 4.5 47.2 1.0 OD2 A:ASP97 4.9 45.6 1.0 C A:GLY91 4.9 36.5 1.0 C A:SER90 5.0 43.1 1.0 C B:ALA117 5.0 46.1 1.0 O A:HOH844 5.0 44.0 1.0

Chlorine binding site 3 out of 5 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 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 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl703 b:90.6 occ:1.00 NH1 B:ARG618 3.8 86.5 1.0 NH2 B:ARG618 3.9 78.7 1.0 CZ B:ARG618 4.3 76.3 1.0 CG1 B:VAL614 4.8 70.2 1.0

Chlorine binding site 4 out of 5 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 Chlorine with other atoms in the Cl binding site number 4 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:Cl703 b:84.9 occ:1.00 O C:HOH821 3.2 58.8 1.0 OG B:SER90 3.7 62.5 1.0 N B:GLY91 4.3 51.5 1.0 O C:ALA117 4.5 64.0 1.0 CD1 C:PHE118 4.6 64.2 1.0 CA B:GLY91 4.7 58.7 1.0 CB C:PRO121 4.7 59.3 1.0 CE1 C:PHE118 4.8 65.0 1.0 OD2 B:ASP97 4.9 75.6 1.0 CD2 C:LEU145 4.9 58.5 1.0 CB B:SER90 4.9 57.4 1.0 C C:ALA117 5.0 64.1 1.0

Chlorine binding site 5 out of 5 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 Chlorine with other atoms in the Cl binding site number 5 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:Cl704 b:82.9 occ:1.00 OG C:SER201 3.3 85.3 1.0 NH1 C:ARG205 3.6 81.7 1.0 NH2 C:ARG205 3.9 76.1 1.0 CG C:PRO301 4.0 87.6 1.0 CB C:SER201 4.2 79.3 1.0 CZ C:ARG205 4.3 79.9 1.0 CE1 C:PHE197 4.4 71.0 1.0 CA C:SER201 4.8 75.9 1.0 CD1 C:PHE197 4.8 77.7 1.0 CD C:PRO301 4.8 99.4 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.