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Chlorine in PDB 3cke: Crystal Structure of Aristolochene Synthase in Complex with 12,13- Difluorofarnesyl Diphosphate

Enzymatic activity of Crystal Structure of Aristolochene Synthase in Complex with 12,13- Difluorofarnesyl Diphosphate

All present enzymatic activity of Crystal Structure of Aristolochene Synthase in Complex with 12,13- Difluorofarnesyl Diphosphate:
4.2.3.9;

Protein crystallography data

The structure of Crystal Structure of Aristolochene Synthase in Complex with 12,13- Difluorofarnesyl Diphosphate, PDB code: 3cke was solved by E.Y.Shishova, F.Yu, D.J.Miller, J.A.Faraldos, Y.Zhao, R.M.Coates, R.K.Allemann, D.E.Cane, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 56.30 / 2.40
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 61.534, 146.842, 84.110, 90.00, 97.87, 90.00
R / Rfree (%) 24.5 / 29

Other elements in 3cke:

The structure of Crystal Structure of Aristolochene Synthase in Complex with 12,13- Difluorofarnesyl Diphosphate also contains other interesting chemical elements:

Fluorine (F) 6 atoms
Magnesium (Mg) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Aristolochene Synthase in Complex with 12,13- Difluorofarnesyl Diphosphate (pdb code 3cke). 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 Crystal Structure of Aristolochene Synthase in Complex with 12,13- Difluorofarnesyl Diphosphate, PDB code: 3cke:

Chlorine binding site 1 out of 1 in 3cke

Go back to Chlorine Binding Sites List in 3cke
Chlorine binding site 1 out of 1 in the Crystal Structure of Aristolochene Synthase in Complex with 12,13- Difluorofarnesyl Diphosphate


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 Aristolochene Synthase in Complex with 12,13- Difluorofarnesyl Diphosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl500

b:50.2
occ:1.00
 NH1 A:ARG273 3.0 27.2 1.0
O D:HOH5966 3.4 24.3 1.0
CG A:ARG273 3.5 26.0 1.0
CG2 D:THR255 3.6 18.9 1.0
CB A:ARG273 4.0 22.0 1.0
CA A:ARG273 4.1 24.5 1.0
CZ A:ARG273 4.2 29.7 1.0
CD1 A:LEU276 4.2 31.8 1.0
CD A:ARG273 4.2 21.9 1.0
CB A:LEU276 4.6 30.2 1.0
NE A:ARG273 4.7 28.1 1.0
O A:ARG273 4.7 23.5 1.0
N D:THR255 4.8 22.2 1.0
C A:ARG273 4.9 26.3 1.0
CB D:THR255 4.9 24.9 1.0
CG A:LEU276 5.0 31.6 1.0

Reference:

E.Y.Shishova, F.Yu, D.J.Miller, J.A.Faraldos, Y.Zhao, R.M.Coates, R.K.Allemann, D.E.Cane, D.W.Christianson. X-Ray Crystallographic Studies of Substrate Binding to Aristolochene Synthase Suggest A Metal Ion Binding Sequence For Catalysis. J.Biol.Chem. V. 283 15431 2008.
ISSN: ISSN 0021-9258
PubMed: 18385128
DOI: 10.1074/JBC.M800659200
Page generated: Fri Jul 11 04:05:12 2025

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