Structure of PDB 1cgz Chain A Binding Site BS01

Receptor Information
>1cgz Chain A (length=387) Species: 3879 (Medicago sativa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVSEIRKAQRAEGPATILAIGTANPANCVEQSTYPDFYFKITNSEHKTEL
KEKFQRMCDKSMIKRRYMYLTEEILKENPNVCEYMAPSLDARQDMVVVEV
PRLGKEAAVKAIKEWGQPKSKITHLIVCTTSGVDMPGADYQLTKLLGLRP
YVKRYMMYQQGCFAGGTVLRLAKDLAENNKGARVLVVCSEVTAVTFRGPS
DTHLDSLVGQALFGDGAAALIVGSDPVPEIEKPIFEMVWTAQTIAPDSEG
AIDGHLREAGLTFHLLKDVPGIVSKNITKALVEAFEPLGISDYNSIFWIA
HPGGPAILDQVEQKLALKPEKMNATREVLSEYGNMSSACVLFILDEMRKK
STQNGLKTTGEGLEWGVLFGFGPGLTIETVVLRSVAI
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 chain1cgz Chain A Residue 390 [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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PDB1cgz Structure of chalcone synthase and the molecular basis of plant polyketide biosynthesis.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		E192 V193 T194 T197 F215 G216 I254 D255 T264 F265 S338 P375
Binding residue
(residue number reindexed from 1)		E190 V191 T192 T195 F213 G214 I252 D253 T262 F263 S336 P373
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C164 F215 H303 N336
Catalytic site (residue number reindexed from 1) C162 F213 H301 N334
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:1cgz, PDBe:1cgz, PDBj:1cgz
PDBsum1cgz
PubMed10426957
UniProtP30074|CHS2_MEDSA Chalcone synthase 2 (Gene Name=CHS2)

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