Structure of PDB 2oa6 Chain D Binding Site BS01

Receptor Information

>2oa6 Chain D (length=306) Species: 33178 (Aspergillus terreus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SLEPPPSTFQPLCHPLVEEVSKEVDGYFLQHWNFPNEKARKKFVAAGFSR
VTCLYFPKALDDRIHFACRLLTVLFLIDDLLEYMSFEEGSAYNEKLIPIS
RGDVLPDRSIPVEYIIYDLWESMRAHDREMADEILEPVFLFMRAQTDRTR
ARPMGLGGYLEYRERDVGKELLAALMRFSMGLKLSPSELQRVREIDANCS
KHLSVVNDIYSYEKELYTSKTAHSEGGILCTSVQILAQEADVTAEAAKRV
LFVMCREWELRHQLLVARLSAEGLETPGLAAYVEGLEYQMSGNELWSQTT
LRYSVV

Ligand information

Ligand ID

InChI

InChI=1S/Mg/q+2

InChIKey

JLVVSXFLKOJNIY-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Mg+2]
CACTVS 3.341	[Mg++]

Formula

Name

MAGNESIUM ION

PDB chain

2oa6 Chain D Residue 702 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	2oa6 X-ray crystal structure of aristolochene synthase from Aspergillus terreus and evolution of templates for the cyclization of farnesyl diphosphate.
Resolution	2.15 Å
Binding residue (original residue number in PDB)	N219 S223 E227
Binding residue (residue number reindexed from 1)	N207 S211 E215
Annotation score	1

Enzymatic activity

Catalytic site (original residue number in PDB)	Y67 F87 F153 K181 W308
Catalytic site (residue number reindexed from 1)	Y55 F75 F141 K169 W296
Enzyme Commision number	4.2.3.9: aristolochene synthase.

Gene Ontology

	Molecular Function
GO:0016829	lyase activity
GO:0045483	aristolochene synthase activity
GO:0046872	metal ion binding

View graph for
Molecular Function

External links

PDB	RCSB:2oa6, PDBe:2oa6, PDBj:2oa6
PDBsum	2oa6
PubMed	17261032
UniProt	Q9UR08\|ARIS_ASPTE Aristolochene synthase (Gene Name=Ari1)

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