Chlorine in PDB 3pg9: Thermotoga Maritima DAH7P Synthase in Complex with Inhibitor

All present enzymatic activity of Thermotoga Maritima DAH7P Synthase in Complex with Inhibitor:
2.5.1.54;

The structure of Thermotoga Maritima DAH7P Synthase in Complex with Inhibitor, PDB code: 3pg9 was solved by P.J.Cross, R.C.J.Dobson, M.L.Patchett, E.J.Parker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	52.57 / 2.35
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	81.610, 121.002, 133.379, 90.00, 92.12, 90.00
R / Rfree (%)	17.1 / 22.2

The binding sites of Chlorine atom in the Thermotoga Maritima DAH7P Synthase in Complex with Inhibitor (pdb code 3pg9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Thermotoga Maritima DAH7P Synthase in Complex with Inhibitor, PDB code: 3pg9:

Chlorine binding site 1 out of 1 in the Thermotoga Maritima DAH7P Synthase in Complex with Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Thermotoga Maritima DAH7P Synthase in Complex with Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl342 b:66.5 occ:1.00 NE B:ARG237 3.5 49.0 1.0 NZ B:LYS207 3.7 42.6 1.0 CD B:LYS207 3.8 38.3 1.0 N B:ALA185 3.9 28.3 1.0 CD B:ARG237 4.0 47.0 1.0 CE B:LYS207 4.0 41.7 1.0 CB B:ALA185 4.0 19.7 1.0 O B:HOH363 4.4 49.1 1.0 CG B:ARG237 4.5 41.3 1.0 CZ B:ARG237 4.5 54.9 1.0 CA B:ALA185 4.6 28.2 1.0 ND1 B:HIS272 4.6 50.7 1.0 CG B:HIS272 4.7 48.8 1.0 CE1 B:HIS272 4.7 53.1 1.0 NH2 B:ARG237 4.7 61.5 1.0 CA B:GLY184 4.7 29.1 1.0 CD2 B:HIS272 4.7 53.0 1.0 NE2 B:HIS272 4.7 54.7 1.0 CG B:LYS207 4.8 31.6 1.0 C B:GLY184 4.8 28.4 1.0 CB B:LYS207 5.0 25.4 1.0

P.J.Cross, R.C.J.Dobson, M.L.Patchett, E.J.Parker. Tyrosine Latching of A Regulatory Gate Affords Allosteric Control of Aromatic Amino Acid Biosynthesis J.Biol.Chem. V. 286 10216 2011.
ISSN: ISSN 0021-9258
PubMed: 21282100
DOI: 10.1074/JBC.M110.209924