Structure of PDB 3lz9 Chain A Binding Site BS02

Receptor Information
>3lz9 Chain A (length=527) Species: 4097 (Nicotiana tabacum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RPVADFSPSLWGDQFLSFSIKNQVAEKYAKEIEALKEQTRNMLLATGMKL
ADTLNLIDTIERLGISYHFEKEIDDILDQIYNQNSNCNDLCTSALQFRLL
RQHGFNISPEIFSKFQDENGKFKESLASDVLGLLNLYEASHVRTHADDIL
EDALAFSTIHLESAAPHLKSPLREQVTHALEQCLHKGVPRVETRFFISSI
YDKEQSKNNVLLRFAKLDFNLLQMLHKQELAQVSRWWKDLDFVTTLPYAR
DRVVECYFWTLGVYFEPQYSQARVMLVKTISMISIVDDTFDAYGTVKELE
AYTDAIQRWDINEIDRLPDYMKISYKAILDLYKDYEKELSSAGRSHIVCH
AIERMKEIVRNYNVESTWFIEGYTPPVSEYLSNALATTTYYLLATTSYLG
MKSATEQDFEWLSKNPKILEASVIICRVIDDTATYEVEKSRGQIATGIEC
CMRDYGISTKEAMAKFQNMAETAWKDINEGLLRPTPVSTEFLTPILNLAR
IIEVTYIHNEKVLKPHIINLLVDSIKI
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain3lz9 Chain A Residue 852 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3lz9 Structural elucidation of cisoid and transoid cyclization pathways of a sesquiterpene synthase using 2-fluorofarnesyl diphosphates.
Resolution2.28 Å
Binding residue
(original residue number in PDB)		D301 D305 E379
Binding residue
(residue number reindexed from 1)		D287 D291 E365
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R264 W273 I294 D301 D305 T401 T402 T403 R441 D444 T448 E452 Y520
Catalytic site (residue number reindexed from 1) R250 W259 I280 D287 D291 T387 T388 T389 R427 D430 T434 E438 Y506
Enzyme Commision number 4.2.3.61: 5-epiaristolochene synthase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0010333 terpene synthase activity
GO:0016829 lyase activity
GO:0016838 carbon-oxygen lyase activity, acting on phosphates
GO:0046872 metal ion binding
GO:0102698 5-epi-aristolochene synthase activity
Biological Process
GO:0006720 isoprenoid metabolic process
GO:0016102 diterpenoid biosynthetic process
GO:0016114 terpenoid biosynthetic process
GO:0051762 sesquiterpene biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3lz9, PDBe:3lz9, PDBj:3lz9
PDBsum3lz9
PubMed20175559
UniProtQ40577|5EAS_TOBAC 5-epi-aristolochene synthase (Gene Name=EAS3)

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