Structure of PDB 1z1f Chain A Binding Site BS01

Receptor Information
>1z1f Chain A (length=388) Species: 3818 (Arachis hypogaea) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VSVSGIRKVQRAEGPATVLAIGTANPPNCVDQSTYADYYFRVTNSEHMTD
LKKKFQRICERTQIKNRHMYLTEEILKENPNMCAYKAPSLDAREDMMIRE
VPRVGKEAATKAIKEWGQPMSKITHLIFCTTSGVALPGVDYELIVLLGLD
PSVKRYMMYHQGCFAGGTVLRLAKDLAENNKDARVLIVCSENTSVTFRGP
SETDMDSLVGQALFADGAAAIIIGSDPVPEVENPLFEIVSTDQQLVPNSH
GAIGGLLREVGLTFYLNKSVPDIISQNINDALSKAFDPLGISDYNSIFWI
AHPGGRAILDQVEEKVNLKPEKMKATRDVLSNYGNMSSACVFFIMDLMRK
KSLEAGLKTTGEGLDWGVLFGFGPGLTIETVVLRSMAI
Ligand information
Ligand IDSTL
InChIInChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
InChIKeyLUKBXSAWLPMMSZ-OWOJBTEDSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1C=Cc2cc(cc(c2)O)O)O
CACTVS 3.341Oc1ccc(cc1)C=Cc2cc(O)cc(O)c2
ACDLabs 10.04Oc2cc(\C=C\c1ccc(O)cc1)cc(O)c2
CACTVS 3.341Oc1ccc(cc1)/C=C/c2cc(O)cc(O)c2
OpenEye OEToolkits 1.5.0c1cc(ccc1\C=C\c2cc(cc(c2)O)O)O
FormulaC14 H12 O3
NameRESVERATROL
ChEMBLCHEMBL165
DrugBankDB02709
ZINCZINC000000006787
PDB chain1z1f Chain A Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1z1f Crystal structure of stilbene synthase from Arachis hypogaea
Resolution2.9 Å
Binding residue
(original residue number in PDB)		E192 N193 T194 T197 F215 A216 I254 G255 G256 F265 N336 S338
Binding residue
(residue number reindexed from 1)		E191 N192 T193 T196 F214 A215 I253 G254 G255 F264 N335 S337
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) C164 F215 H303 N336
Catalytic site (residue number reindexed from 1) C163 F214 H302 N335
Enzyme Commision number 2.3.1.95: trihydroxystilbene synthase.
Gene Ontology
Molecular Function
GO:0016746 acyltransferase activity
GO:0016747 acyltransferase activity, transferring groups other than amino-acyl groups
Biological Process
GO:0009058 biosynthetic process
GO:0030639 polyketide biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1z1f, PDBe:1z1f, PDBj:1z1f
PDBsum1z1f
PubMed16028220
UniProtQ9SLV5

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