Structure of PDB 8j2v Chain A Binding Site BS01

Receptor Information
>8j2v Chain A (length=475) Species: 4097 (Nicotiana tabacum) [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 chain8j2v 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

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8j2v Glucosyl transferase NbUGT72AY1 co-crystallized with Scopoletin
Resolution2.0 Å
Binding residue
(original residue number in PDB)		I86 F120 D185 A391
Binding residue
(residue number reindexed from 1)		I84 F118 D183 A389
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.1.-
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0008194 UDP-glycosyltransferase activity
GO:0016757 glycosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:8j2v, PDBe:8j2v, PDBj:8j2v
PDBsum8j2v
PubMed
UniProtA0A8K1ZRH3

[Back to BioLiP]