Chlorine in PDB 3tr9: Structure of A Dihydropteroate Synthase (Folp) in Complex with Pteroic Acid From Coxiella Burnetii

All present enzymatic activity of Structure of A Dihydropteroate Synthase (Folp) in Complex with Pteroic Acid From Coxiella Burnetii:
2.5.1.15;

The structure of Structure of A Dihydropteroate Synthase (Folp) in Complex with Pteroic Acid From Coxiella Burnetii, PDB code: 3tr9 was solved by J.Cheung, M.C.Franklin, M.Rudolph, M.Cassidy, E.Gary, F.Burshteyn, J.Love, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.44 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	86.877, 86.883, 158.159, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / 21.2

The structure of Structure of A Dihydropteroate Synthase (Folp) in Complex with Pteroic Acid From Coxiella Burnetii also contains other interesting chemical elements:

Sodium

(Na)

3 atoms

The binding sites of Chlorine atom in the Structure of A Dihydropteroate Synthase (Folp) in Complex with Pteroic Acid From Coxiella Burnetii (pdb code 3tr9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of A Dihydropteroate Synthase (Folp) in Complex with Pteroic Acid From Coxiella Burnetii, PDB code: 3tr9:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of A Dihydropteroate Synthase (Folp) in Complex with Pteroic Acid From Coxiella Burnetii


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 Dihydropteroate Synthase (Folp) in Complex with Pteroic Acid From Coxiella Burnetii within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl315 b:28.0 occ:1.00 NH1 A:ARG272 3.3 23.4 1.0 ND2 A:ASN35 3.4 14.5 1.0 NE2 A:HIS274 3.4 18.6 1.0 C13 A:PT11001 3.5 17.1 1.0 O A:HOH326 3.5 11.4 1.0 CE1 A:HIS274 3.7 14.5 1.0 NH2 A:ARG272 3.7 23.7 1.0 CD2 A:PHE41 3.8 16.1 1.0 CZ A:ARG272 4.0 19.3 1.0 C10 A:PT11001 4.0 18.5 1.0 CD1 A:ILE33 4.0 9.6 1.0 CB A:PHE41 4.0 22.9 1.0 O A:HOH369 4.1 27.7 0.8 CG2 A:ILE33 4.2 19.9 1.0 OD1 A:ASN35 4.2 19.6 1.0 CG A:ASN35 4.2 20.1 1.0 C12 A:PT11001 4.3 18.6 1.0 CG A:PHE41 4.4 18.3 1.0 O A:PHE41 4.6 20.4 1.0 CD2 A:HIS274 4.7 12.6 1.0 N14 A:PT11001 4.8 15.9 1.0 CE2 A:PHE41 4.8 17.9 1.0 C16 A:PT11001 4.8 15.4 1.0 N6 A:PT11001 4.8 16.4 1.0 CG1 A:ILE33 4.9 14.2 1.0 CA A:PHE41 5.0 18.2 1.0 ND1 A:HIS274 5.0 15.5 1.0 C A:PHE41 5.0 19.0 1.0

Chlorine binding site 2 out of 2 in the Structure of A Dihydropteroate Synthase (Folp) in Complex with Pteroic Acid From Coxiella Burnetii


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 Dihydropteroate Synthase (Folp) in Complex with Pteroic Acid From Coxiella Burnetii within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl315 b:25.7 occ:1.00 NH1 B:ARG272 3.2 19.5 1.0 ND2 B:ASN35 3.4 15.8 1.0 NE2 B:HIS274 3.5 18.6 1.0 C13 B:PT11001 3.5 15.7 1.0 NH2 B:ARG272 3.6 24.1 1.0 O B:HOH318 3.7 14.7 0.8 O B:HOH386 3.8 28.2 1.0 CD2 B:PHE41 3.8 18.9 1.0 CZ B:ARG272 3.9 23.6 1.0 CE1 B:HIS274 3.9 20.0 1.0 CB B:PHE41 4.0 18.0 1.0 C10 B:PT11001 4.0 18.6 1.0 CG2 B:ILE33 4.1 16.7 1.0 CD1 B:ILE33 4.1 17.9 1.0 OD1 B:ASN35 4.2 23.6 1.0 CG B:ASN35 4.2 23.3 1.0 C12 B:PT11001 4.3 17.1 1.0 CG B:PHE41 4.4 18.9 1.0 O B:PHE41 4.6 21.1 1.0 CD2 B:HIS274 4.7 17.5 1.0 N6 B:PT11001 4.8 16.8 1.0 N14 B:PT11001 4.8 16.8 1.0 CA B:PHE41 4.9 15.2 1.0 CG1 B:ILE33 4.9 19.8 1.0 CE2 B:PHE41 4.9 18.9 1.0 C16 B:PT11001 4.9 20.1 1.0 C B:PHE41 5.0 19.3 1.0

M.C.Franklin, J.Cheung, M.J.Rudolph, F.Burshteyn, M.Cassidy, E.Gary, B.Hillerich, Z.K.Yao, P.R.Carlier, M.Totrov, J.D.Love. Structural Genomics For Drug Design Against the Pathogen Coxiella Burnetii. Proteins V. 83 2124 2015.
ISSN: ISSN 0887-3585
PubMed: 26033498
DOI: 10.1002/PROT.24841