Brand  (β version)

PDB ID: 4KWD

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Ligands
Code Name Style Show Link
POP Pyrophosphate 2- PoSSuM
MG Magnesium ion PoSSuM
JF2 (1r,5r,8r,9as)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2h-quinolizinium PoSSuM
GOL Glycerol PoSSuM
Non-standard Residues
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Structure summary

Code : 4KWD   PDBj   RCSB PDB   PDBe
Header : LYASE/LYASE INHIBITOR
Title : Crystal structure of Aspergillus terreus aristolochene synthase complexed with (1R,8R,9aS)-1,9a-dimethyl-8-(prop-1-en-2-yl)decahydroquinolizin-5-ium
Release Data : 2013-08-14
Compound :
mol_id molecule chains synonym
1 Aristolochene synthase A,B,C,D AS, Sesquiterpene cyclase
ec: 4.2.3.9
fragment: UNP residues 14-320
Source :
mol_id organism_scientific expression_system
1 Aspergillus terreus  (taxid:33178) Escherichia coli  (taxid:469008)
gene: Ari1
expression_system_strain: BL21(DE3)pLysS
expression_system_vector_type: plasmid
expression_system_plasmid: pET11a
Authors : Chen, M., Al-lami, N., Janvier, M., D'Antonio, E.L., Faraldos, J.A., Cane, D.E., Allemann, R.K., Christianson, D.W.
Keywords : Class I terpene cyclase, metal-binding motif, farnesyl diphosphate, alpha-helical fold, LYASE-LYASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 1.857 Å )
Citation :

Mechanistic insights from the binding of substrate and carbocation intermediate analogues to aristolochene synthase.

Chen, M.,Al-Lami, N.,Janvier, M.  et al.
(2013)  Biochemistry  52 : 5441 - 5453

PubMed: 23905850
DOI: 10.1021/bi400691v

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
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