Structure of PDB 1u0w Chain B Binding Site BS01

Receptor Information
>1u0w Chain B (length=388) Species: 3879 (Medicago sativa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VSVSEIRKAQRAEGPATILAIGTANPANCVEQSTYPDFYFKITNSEHKTE
LKEKFQRMCDKSMIKRRYMYLTEEILKENPNVCEYMAPSLDARQAMLAME
VPRLGKEAAVKAIKEWGQPKSKITHLIVCSTTTPDLPGADYQLTKLLGLR
PYVKRVGVFQHGCFAGGTVLRLAKDLAENNKGARVLVVCSEVTAVTFRGP
SDTHLDSLVGQALFGDGAAALIVGSDPVPEIEKPIFEMVWTAQTIAPDSE
GAIDGHLREAGLTFHLKGAVPDIVSKNITKALVEAFEPLGISDYNSIFWI
AHPGGPAILDQVEQKLALKPEKMNATREVLSEYGNMSSACVLFILDEMRK
KSTQNGLKTTGEGLEWGVLFGFGPGLTIETVVLRSVAI
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 chain1u0w Chain B Residue 2001 [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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PDB1u0w An Aldol Switch Discovered in Stilbene Synthases Mediates Cyclization Specificity of Type III Polyketide Synthases
Resolution2.0 Å
Binding residue
(original residue number in PDB)		E192 V193 T194 F215 G216 I254 D255 G256 F265
Binding residue
(residue number reindexed from 1)		E191 V192 T193 F214 G215 I253 D254 G255 F264
Annotation score1
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 2.3.1.74: chalcone synthase.
Gene Ontology
Molecular Function
GO:0016210 naringenin-chalcone synthase activity
GO:0016746 acyltransferase activity
GO:0016747 acyltransferase activity, transferring groups other than amino-acyl groups
Biological Process
GO:0009058 biosynthetic process
GO:0009715 chalcone biosynthetic process
GO:0009813 flavonoid biosynthetic process
GO:0030639 polyketide biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1u0w, PDBe:1u0w, PDBj:1u0w
PDBsum1u0w
PubMed15380179
UniProtP30074|CHS2_MEDSA Chalcone synthase 2 (Gene Name=CHS2)

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