Chlorine in PDB 5jph: Structure of A Gnat Acetyltransferase SACOL1063 From Staphylococcus Aureus in Complex with Coa

The structure of Structure of A Gnat Acetyltransferase SACOL1063 From Staphylococcus Aureus in Complex with Coa, PDB code: 5jph was solved by K.A.Majorek, T.Osinski, W.F.Anderson, W.Minor, Center For Structuralgenomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.46
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.088, 93.821, 68.910, 90.00, 97.15, 90.00
R / Rfree (%)	14.2 / 17

The binding sites of Chlorine atom in the Structure of A Gnat Acetyltransferase SACOL1063 From Staphylococcus Aureus in Complex with Coa (pdb code 5jph). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Structure of A Gnat Acetyltransferase SACOL1063 From Staphylococcus Aureus in Complex with Coa, PDB code: 5jph:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Structure of A Gnat Acetyltransferase SACOL1063 From Staphylococcus Aureus in Complex with Coa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of A Gnat Acetyltransferase SACOL1063 From Staphylococcus Aureus in Complex with Coa within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:30.1 occ:1.00 ND1 A:HIS43 2.8 15.7 1.0 NH2 A:ARG18 3.0 15.2 1.0 OG1 A:THR55 3.4 15.6 1.0 CD A:ARG18 3.5 13.8 1.0 CB A:CYS14 3.6 13.9 1.0 CE1 A:HIS43 3.6 15.5 1.0 CB A:ARG57 3.9 17.9 1.0 O A:ALA56 3.9 13.9 1.0 CG A:HIS43 3.9 16.6 1.0 CZ A:ARG18 3.9 15.1 1.0 C A:ALA56 4.0 13.8 1.0 SG A:CYS14 4.1 15.2 1.0 NE A:ARG18 4.1 13.8 1.0 CB A:HIS43 4.2 16.2 1.0 N A:ARG57 4.3 12.8 1.0 CB A:ARG70 4.4 13.1 1.0 CA A:ARG57 4.5 14.7 1.0 CG2 A:THR55 4.6 16.0 1.0 CB A:THR55 4.6 14.5 1.0 CG A:ARG57 4.6 17.3 1.0 CG A:ARG18 4.7 14.1 1.0 CD A:ARG57 4.7 17.1 1.0 CA A:ALA56 4.7 13.9 1.0 N A:ALA56 4.7 13.1 1.0 CA A:CYS14 4.8 13.6 1.0 CG A:ARG70 4.8 14.1 1.0 NE2 A:HIS43 4.8 16.2 1.0 C A:CYS14 5.0 14.2 1.0 OE1 A:GLU38 5.0 16.2 1.0 CD2 A:HIS43 5.0 16.8 1.0

Chlorine binding site 2 out of 3 in the Structure of A Gnat Acetyltransferase SACOL1063 From Staphylococcus Aureus in Complex with Coa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of A Gnat Acetyltransferase SACOL1063 From Staphylococcus Aureus in Complex with Coa within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl203 b:32.2 occ:1.00 ND1 B:HIS43 2.8 17.0 1.0 NH1 B:ARG18 3.0 16.2 1.0 OG1 B:THR55 3.4 15.9 1.0 CD B:ARG18 3.4 14.6 1.0 CB B:CYS14 3.6 15.7 1.0 CE1 B:HIS43 3.7 17.2 1.0 O B:ALA56 3.8 15.7 1.0 CB B:ARG57 3.9 18.6 1.0 CG B:HIS43 3.9 16.8 1.0 CZ B:ARG18 4.0 14.7 1.0 C B:ALA56 4.0 14.4 1.0 SG B:CYS14 4.1 16.7 1.0 NE B:ARG18 4.1 14.7 1.0 CB B:HIS43 4.2 15.9 1.0 N B:ARG57 4.3 14.5 1.0 CB B:ARG70 4.5 12.8 1.0 CA B:ARG57 4.5 15.1 1.0 CG2 B:THR55 4.6 16.1 1.0 CB B:THR55 4.6 15.4 1.0 CG B:ARG18 4.6 13.2 1.0 CG B:ARG57 4.6 18.7 1.0 N B:ALA56 4.7 13.4 1.0 CA B:ALA56 4.7 13.8 1.0 CD B:ARG57 4.7 17.9 1.0 CA B:CYS14 4.8 15.1 1.0 NE2 B:HIS43 4.9 16.5 1.0 CG B:ARG70 4.9 14.6 1.0 CA B:HIS43 5.0 16.3 1.0

Chlorine binding site 3 out of 3 in the Structure of A Gnat Acetyltransferase SACOL1063 From Staphylococcus Aureus in Complex with Coa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of A Gnat Acetyltransferase SACOL1063 From Staphylococcus Aureus in Complex with Coa within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl203 b:34.2 occ:1.00 ND1 C:HIS43 2.9 18.5 1.0 NH1 C:ARG18 2.9 18.2 1.0 CD C:ARG18 3.4 17.9 1.0 OG1 C:THR55 3.4 15.3 1.0 CB C:CYS14 3.6 16.2 1.0 CE1 C:HIS43 3.7 17.3 1.0 O C:ALA56 3.9 15.1 1.0 CG C:HIS43 3.9 17.5 1.0 CZ C:ARG18 3.9 18.3 1.0 CB C:ARG57 3.9 20.0 1.0 C C:ALA56 4.0 15.2 1.0 SG C:CYS14 4.1 16.7 1.0 NE C:ARG18 4.1 17.7 1.0 CB C:HIS43 4.2 17.7 1.0 N C:ARG57 4.3 14.4 1.0 CB C:ARG70 4.4 15.0 1.0 CA C:ARG57 4.6 15.8 1.0 CB C:THR55 4.6 14.1 1.0 CG C:ARG18 4.6 16.4 1.0 CG2 C:THR55 4.6 16.5 1.0 CG C:ARG57 4.6 19.8 1.0 CD C:ARG57 4.7 18.1 1.0 N C:ALA56 4.7 13.3 1.0 CA C:ALA56 4.7 14.1 1.0 CA C:CYS14 4.8 15.4 1.0 CG C:ARG70 4.8 16.7 1.0 NE2 C:HIS43 4.9 20.1 1.0 C C:CYS14 5.0 15.7 1.0 CA C:HIS43 5.0 16.2 1.0

K.A.Majorek, T.Osinski, D.T.Tran, A.Revilla, W.F.Anderson, W.Minor, M.L.Kuhn. Insight Into the 3D Structure and Substrate Specificity of Previously Uncharacterized Gnat Superfamily Acetyltransferases From Pathogenic Bacteria. Biochim.Biophys.Acta V.1865 55 2016.
ISSN: ISSN 0006-3002
PubMed: 27783928
DOI: 10.1016/J.BBAPAP.2016.10.011