Structure of PDB 3wio Chain A Binding Site BS01

Receptor Information
>3wio Chain A (length=265) Species: 39947 (Oryza sativa Japonica Group) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKLLQILNVRVVGSGERVVVLSHGFGTDQSAWSRVLPYLTRDHRVVLYDL
VCAGSVNPDHFDFRRYDNLDAYVDDLLAILDALRIPRCAFVGHSVSAMIG
ILASIRRPDLFAKLVLIGASPRFLNDSDYHGGFELEEIQQVFDAMGANYS
AWATGYAPLAVGADVPAAVQEFSRTLFNMRPDISLHVCQTVFKTDLRGVL
GMVRAPCVVVQTTRDVSVPASVAAYLKAHLGGRTTVEFLQTEGHLPHLSA
PSLLAQVLRRALARY
Ligand information
Ligand IDH3M
InChIInChI=1S/C5H6O3/c1-3-2-4(6)8-5(3)7/h2,4,6H,1H3/t4-/m1/s1
InChIKeyHQIZYPQNJWENRT-SCSAIBSYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370CC1=C[CH](O)OC1=O
OpenEye OEToolkits 1.7.6CC1=CC(OC1=O)O
OpenEye OEToolkits 1.7.6CC1=C[C@@H](OC1=O)O
ACDLabs 12.01O=C1OC(O)C=C1C
CACTVS 3.370CC1=C[C@H](O)OC1=O
FormulaC5 H6 O3
Name(5R)-5-hydroxy-3-methylfuran-2(5H)-one
ChEMBL
DrugBank
ZINCZINC000014490248
PDB chain3wio Chain A Residue 401 [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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PDB3wio Molecular mechanism of strigolactone perception by DWARF14
Resolution2.1 Å
Binding residue
(original residue number in PDB)		V194 Y209 F245
Binding residue
(residue number reindexed from 1)		V141 Y156 F192
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S147
Catalytic site (residue number reindexed from 1) S94
Enzyme Commision number 3.1.-.-
External links
PDB RCSB:3wio, PDBe:3wio, PDBj:3wio
PDBsum3wio
PubMed24131983
UniProtQ10QA5|D14_ORYSJ Strigolactone esterase D14 (Gene Name=D14)

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