Brand  (β version)

PDB ID: 3CKE

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Ligands
Code Name Style Show Link
CL Chloride ion PoSSuM
FDF (2e,6e)-12-fluoro-11-(fluoromethyl)-3,7-dimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate PoSSuM
BME Beta-mercaptoethanol PoSSuM
GOL Glycerol PoSSuM
MG Magnesium ion PoSSuM
POP Pyrophosphate 2- PoSSuM
Non-standard Residues
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Glycosylation
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Structure summary

Code : 3CKE   PDBj   RCSB PDB   PDBe
Header : LYASE
Title : Crystal structure of aristolochene synthase in complex with 12,13-difluorofarnesyl diphosphate
Release Data : 2008-04-01
Compound :
mol_id molecule chains
1 Aristolochene synthase A,B,C,D
ec: 4.2.3.9
Source :
mol_id organism_scientific expression_system
1 Aspergillus terreus  (taxid:33178) Escherichia coli  (taxid:562)
gene: Ari1
expression_system_strain: BL21(DE3)pLysS
expression_system_vector_type: Plasmid
expression_system_plasmid: pET11-rASA
Authors : Shishova, E.Y., Yu, F., Miller, D.J., Faraldos, J.A., Zhao, Y., Coates, R.M., Allemann, R.K., Cane, D.E., Christianson, D.W.
Keywords : substrate binding, metal ion binding, catalysis, conformational changes, LYASE
Exp. method : X-RAY DIFFRACTION ( 2.40 Å )
Citation :

X-ray Crystallographic Studies of Substrate Binding to Aristolochene Synthase Suggest a Metal Ion Binding Sequence for Catalysis.

Shishova, E.Y.,Yu, F.,Miller, D.J.  et al.
(2008)  J.Biol.Chem.  283 : 15431 - 15439

PubMed: 18385128
DOI: 10.1074/jbc.M800659200

Reaction

Chain : A, B, C, D
UniProt : Q9UR08 (ARIS_ASPTE)
Reaction: EC: Evidence:
Physiological Direction:
(2E,6E)-farnesyl diphosphate = (+)-aristolochene + diphosphate 4.2.3.9 PubMed:10775423
-
Cofactor: Evidence: Note:
Mg(2+) ECO:0000269 | PubMed:18385128
Binds 3 Mg(2+) ions per monomer.