Structure of PDB 8j2s Chain D Binding Site BS02

Receptor Information
>8j2s Chain D (length=459) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SQLHVAIVSSPGMGHLIPVLVLGNRLATHHNIKITILAITTTSSSAETEF
LKKTTLTNEEKTIEIIPVPSVDISHLINSSTKIFTQLRLLVREALPKIHS
TIASMTHRPDALIVDIFCTQILPIAEEFNISKYTYHPTTAWTLALAIYCQ
VFDKEIEGEYVELKEPLKIPGCKALRPDDVVDPLLDRSDQQYEEYVKLGK
EYTDFDGILINTWEDLEPETINALRYNEKLRLLLKVPVFPIGPLRRKVET
TLNDEVIQWLDKQNNESVLFVSFGSGGLSTKQMTELAWGLELSQQKFVWV
VRPPSDTRDMSEYLPEGFLTRTKDMGLVVPMWANQVEILSHSSVGGFLTH
CGWNSTVESLTNGVPMIAWPLHAEQKMNAAMLTEELGVAIRPAVLPTKKL
VKREEIQGMVRILMQTKEGKRIKEKAKKLKKSAENALSDGGSSYNSICEL
VKDIRSREL
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 chain8j2s 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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PDB8j2s Glucosyl transferase NbUGT72AY1 co-crystallized with Scopoletin, UDP-2F Glucose and Retinol
Resolution Å
Binding residue
(original residue number in PDB)		H18 F120 V184 A391
Binding residue
(residue number reindexed from 1)		H15 F117 V181 A373
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.1.-
External links