Structure of PDB 9j9k Chain A Binding Site BS01

Receptor Information
>9j9k Chain A (length=475) Species: 4100 (Nicotiana benthamiana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSQLHVAIVSSPGMGHLIPVLVLGNRLATHHNIKITILAITTTSSSAETE
FLKKTTLTNEEKTIEIIPVPSVDISHLINSSTKIFTQLRLLVREALPKIH
STIASMTHRPDALIVDIFCTQILPIAEEFNISKYTYHPTTAWTLALAIYC
QVFDKEIEGEYVELKEPLKIPGCKALRPDDVVDPLLDRSDQQYEEYVKLG
KEYTDFDGILINTWEDLEPETINALRYNEKLRLLLKVPVFPIGPLRRKVE
TTLNDEVIQWLDKQNNESVLFVSFGSGGTLSTKQMTELAWGLELSQQKFV
WVVRPPSDGDADSAYLNSAGKDTRDMSEYLPEGFLTRTKDMGLVVPMWAN
QVEILSHSSVGGFLTHCGWNSTVESLTNGVPMIAWPLHAEQKMNAAMLTE
ELGVAIRPAVLPTKKLVKREEIQGMVRILMQTKEGKRIKEKAKKLKKSAE
NALSDGGSSYNSICELVKDIRSREL
Ligand information
Ligand IDT83
InChIInChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3
InChIKeyRODXRVNMMDRFIK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.385		COc1cc2C=CC(=O)Oc2cc1O
OpenEye OEToolkits 2.0.7COc1cc2c(cc1O)OC(=O)C=C2
FormulaC10 H8 O4
Name7-hydroxy-6-methoxy-2H-1-benzopyran-2-one
ChEMBLCHEMBL71851
DrugBank
ZINCZINC000000057733
PDB chain9j9k Chain A Residue 501 [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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PDB9j9k Glucosyl transferase NbUGT72AY1 co-crystallized with Scopoletin and UDP2F glucose
Resolution3.15 Å
Binding residue
(original residue number in PDB)		F87 F120 V184 Y198 A391
Binding residue
(residue number reindexed from 1)		F85 F118 V182 Y196 A389
Annotation score1
External links