Chlorine in PDB 4c1k: Crystal Structure of Pyrococcus Furiosus 3-Deoxy-D-Arabino- Heptulosonate 7-Phosphate Synthase

All present enzymatic activity of Crystal Structure of Pyrococcus Furiosus 3-Deoxy-D-Arabino- Heptulosonate 7-Phosphate Synthase:
2.5.1.54;

The structure of Crystal Structure of Pyrococcus Furiosus 3-Deoxy-D-Arabino- Heptulosonate 7-Phosphate Synthase, PDB code: 4c1k was solved by A.R.Nazmi, L.R.Schofield, R.C.J.Dobson, G.B.Jameson, E.J.Parker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.65 / 2.15
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	185.449, 79.670, 144.215, 90.00, 119.69, 90.00
R / Rfree (%)	18.859 / 23.088

The structure of Crystal Structure of Pyrococcus Furiosus 3-Deoxy-D-Arabino- Heptulosonate 7-Phosphate Synthase also contains other interesting chemical elements:

Cadmium

(Cd)

6 atoms

The binding sites of Chlorine atom in the Crystal Structure of Pyrococcus Furiosus 3-Deoxy-D-Arabino- Heptulosonate 7-Phosphate Synthase (pdb code 4c1k). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Pyrococcus Furiosus 3-Deoxy-D-Arabino- Heptulosonate 7-Phosphate Synthase, PDB code: 4c1k:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Pyrococcus Furiosus 3-Deoxy-D-Arabino- Heptulosonate 7-Phosphate Synthase


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 Pyrococcus Furiosus 3-Deoxy-D-Arabino- Heptulosonate 7-Phosphate Synthase within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl1263 b:67.3 occ:0.50 P E:PEP1264 0.5 25.7 0.5 O2 E:PEP1264 1.4 24.7 0.5 O1P E:PEP1264 1.4 23.8 0.5 O3P E:PEP1264 1.6 23.5 0.5 O2P E:PEP1264 2.0 22.4 0.5 C2 E:PEP1264 2.6 24.0 0.5 C3 E:PEP1264 3.2 23.7 0.5 NZ E:LYS136 3.4 36.1 1.0 NH2 E:ARG166 3.5 28.4 1.0 CD2 E:HIS201 3.7 39.8 1.0 NE E:ARG166 3.8 25.0 1.0 C1 E:PEP1264 3.8 22.9 0.5 O E:HOH2036 3.9 29.9 1.0 NE2 E:HIS201 3.9 42.6 1.0 NH1 E:ARG115 4.0 40.0 1.0 CG E:HIS201 4.0 37.4 1.0 CZ E:ARG166 4.1 28.4 1.0 O2' E:PEP1264 4.1 21.6 0.5 CB E:ALA114 4.2 23.9 1.0 CE1 E:HIS201 4.2 41.6 1.0 CD E:LYS136 4.3 35.3 1.0 ND1 E:HIS201 4.3 40.5 1.0 CE E:LYS136 4.5 35.0 1.0 N E:ALA114 4.5 24.0 1.0 CB E:HIS201 4.7 33.1 1.0 O1 E:PEP1264 4.8 23.4 0.5 CD E:ARG166 4.9 23.8 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Pyrococcus Furiosus 3-Deoxy-D-Arabino- Heptulosonate 7-Phosphate Synthase


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 Pyrococcus Furiosus 3-Deoxy-D-Arabino- Heptulosonate 7-Phosphate Synthase within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl1263 b:59.6 occ:0.50 P F:PEP1264 0.9 26.9 0.5 O1P F:PEP1264 1.4 25.9 0.5 O2 F:PEP1264 1.4 25.7 0.5 O3P F:PEP1264 1.5 25.3 0.5 O2P F:PEP1264 2.4 25.0 0.5 C2 F:PEP1264 2.7 25.8 0.5 C3 F:PEP1264 3.3 26.3 0.5 NH2 F:ARG166 3.4 30.9 1.0 NZ F:LYS136 3.5 28.1 1.0 NE F:ARG166 3.7 29.2 1.0 CD2 F:HIS201 3.7 40.1 1.0 CG F:HIS201 3.7 37.8 1.0 NE2 F:HIS201 3.9 41.8 1.0 C1 F:PEP1264 3.9 25.6 0.5 ND1 F:HIS201 4.0 42.1 1.0 CZ F:ARG166 4.0 32.1 1.0 CE1 F:HIS201 4.0 43.1 1.0 O F:HOH2014 4.1 40.8 1.0 CE F:LYS136 4.2 28.7 1.0 O2' F:PEP1264 4.2 24.0 0.5 CB F:HIS201 4.4 34.0 1.0 NH1 F:ARG115 4.4 46.9 1.0 CD F:LYS136 4.4 30.0 1.0 CB F:ALA114 4.4 26.7 1.0 N F:ALA114 4.7 28.7 1.0 CD F:ARG166 4.9 28.4 1.0 O1 F:PEP1264 4.9 25.4 0.5 OD2 F:ASP198 5.0 27.7 1.0

A.R.Nazmi, L.R.Schofield, R.C.J.Dobson, G.B.Jameson, E.J.Parker. Destabilization of the Homotetrameric Assembly of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From the Hyperthermophile Pyrococcus Furiosus Enhances Enzymatic Activity J.Mol.Biol. V. 426 656 2014.
ISSN: ISSN 0022-2836
PubMed: 24239948
DOI: 10.1016/J.JMB.2013.11.008