Structure of PDB 9j9c Chain D Binding Site BS02

Receptor Information
>9j9c Chain D (length=460) Species: 4100 (Nicotiana benthamiana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SQLHVAIVSSPGMGHLIPVLVLGNRLATHHNIKITILAITTTSSSAETEF
LKKTTLTNEEKTIEIIPVPSVDISHLINSSTKIFTQLRLLVREALPKIHS
TIASMTHRPDALIVDIFCTQILPIAEEFNISKYTYHPTTAWTLALAIYCQ
VFDKEIEGEYVELKEPLKIPGCKALRPDDVVDPLLDRSDQQYEEYVKLGK
EYTDFDGILINTWEDLEPETINALRYNEKLRLLLKVPVFPIGPLRRKVET
TLNDEVIQWLDKQNNESVLFVSFGSGGTLSTKQMTELAWGLELSQQKFVW
VVRPPSDTRDMSEYLPEGFLTRTKDMGLVVPMWANQVEILSHSSVGGFLT
HCGWNSTVESLTNGVPMIAWPLHAEQKMNAAMLTEELGVAIRPAVLPTKK
LVKREEIQGMVRILMQTKEGKRIKEKAKKLKKSAENALSDGGSSYNSICE
LVKDIRSREL
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 chain9j9c Chain D Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB9j9c Glucosyl transferase NbUGT72AY1 co-crystallized with Scopoletin and UDP2Fglucose in the presence of retinol
Resolution3.1 Å
Binding residue
(original residue number in PDB)		H18 F120 V184 A391
Binding residue
(residue number reindexed from 1)		H15 F117 V181 A374
Annotation score1
External links