Chlorine in PDB 8g0s: Crystal Structure of Acetyl-Coa Synthetase in Complex with A Cyclopentyl Ester Amp Inhibitor From Cryptococcus Neoformans H99 (Tetragonal Form)

The structure of Crystal Structure of Acetyl-Coa Synthetase in Complex with A Cyclopentyl Ester Amp Inhibitor From Cryptococcus Neoformans H99 (Tetragonal Form), PDB code: 8g0s 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)	25.34 / 2.90
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	174.16, 174.16, 158.927, 90, 90, 90
R / Rfree (%)	19 / 22.3

The binding sites of Chlorine atom in the Crystal Structure of Acetyl-Coa Synthetase in Complex with A Cyclopentyl Ester Amp Inhibitor From Cryptococcus Neoformans H99 (Tetragonal Form) (pdb code 8g0s). 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 in Complex with A Cyclopentyl Ester Amp Inhibitor From Cryptococcus Neoformans H99 (Tetragonal Form), PDB code: 8g0s:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Acetyl-Coa Synthetase in Complex with A Cyclopentyl Ester Amp Inhibitor From Cryptococcus Neoformans H99 (Tetragonal 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 in Complex with A Cyclopentyl Ester Amp Inhibitor From Cryptococcus Neoformans H99 (Tetragonal Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl701 b:81.7 occ:1.00 O A:ALA320 3.6 77.2 1.0 CA A:HIS321 4.0 78.4 1.0 N A:PRO322 4.0 81.3 1.0 C A:HIS321 4.0 80.4 1.0 OD1 A:ASN348 4.0 70.0 1.0 CD A:PRO322 4.0 78.4 1.0 C A:ALA320 4.2 78.2 1.0 N A:HIS321 4.3 77.8 1.0 CG A:PRO322 4.5 77.5 1.0 CA A:PRO322 4.5 82.6 1.0 CG A:LYS315 4.6 74.0 1.0 O A:HIS321 4.6 79.2 1.0 CB A:ASN348 4.7 69.3 1.0 CG A:ASN348 4.7 70.5 1.0 O A:ASN348 4.8 74.9 1.0 NE2 A:HIS43 4.8 74.9 1.0 CG2 A:ILE350 4.9 77.2 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Acetyl-Coa Synthetase in Complex with A Cyclopentyl Ester Amp Inhibitor From Cryptococcus Neoformans H99 (Tetragonal 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 in Complex with A Cyclopentyl Ester Amp Inhibitor From Cryptococcus Neoformans H99 (Tetragonal Form) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl701 b:89.3 occ:1.00 O B:ALA320 3.7 83.1 1.0 N B:PRO322 4.0 89.0 1.0 CD B:PRO322 4.0 86.1 1.0 CA B:HIS321 4.1 87.0 1.0 C B:HIS321 4.1 87.1 1.0 OD1 B:ASN348 4.2 70.1 1.0 C B:ALA320 4.3 87.3 1.0 CG B:PRO322 4.4 82.2 1.0 CA B:PRO322 4.4 86.2 1.0 N B:HIS321 4.5 87.4 1.0 CG B:LYS315 4.6 80.5 1.0 O B:ASN348 4.6 69.8 1.0 O B:HIS321 4.7 86.4 1.0 CB B:ASN348 4.8 67.2 1.0 NE2 B:HIS43 4.8 90.5 1.0 CG2 B:ILE350 4.8 72.6 1.0 CG B:ASN348 4.9 69.2 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Acetyl-Coa Synthetase in Complex with A Cyclopentyl Ester Amp Inhibitor From Cryptococcus Neoformans H99 (Tetragonal 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 in Complex with A Cyclopentyl Ester Amp Inhibitor From Cryptococcus Neoformans H99 (Tetragonal Form) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl701 b:85.4 occ:1.00 O C:ALA320 3.8 75.8 1.0 OD1 C:ASN348 4.1 70.4 1.0 N C:PRO322 4.3 81.6 1.0 CG C:LYS315 4.3 67.5 1.0 CA C:HIS321 4.4 77.1 1.0 C C:HIS321 4.4 78.9 1.0 CD C:PRO322 4.4 75.6 1.0 C C:ALA320 4.5 80.2 1.0 O C:ASN348 4.7 74.3 1.0 N C:HIS321 4.7 79.0 1.0 CA C:PRO322 4.7 81.5 1.0 CG C:PRO322 4.7 71.3 1.0 CB C:ASN348 4.8 67.9 1.0 CG C:ASN348 4.9 68.2 1.0 NE2 C:HIS43 4.9 74.3 1.0 CD C:LYS315 4.9 73.2 1.0 CE C:LYS315 4.9 73.8 1.0

L.Liu, S.Lovell, K.P.Battaile, B.L.Staker. Crystal Structure of Acetyl-Coa Synthetase in Complex with A Cyclopentyl Ester Amp Inhibitor From Cryptococcus Neoformans H99 (Tetragonal Form) To Be Published.