Structure of PDB 8rd0 Chain D Binding Site BS01

Receptor Information
>8rd0 Chain D (length=75) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NNWRWFDDRSGRWCSYSASNNSTIDSAWKSGETSVRFTAGRRRYTVQFTT
MVQVNEETGNRRPVMLTLLRVPRLN
Ligand information
Ligand ID51X
InChIInChI=1S/C10H7NO4/c12-8(13)5-11-9(14)6-3-1-2-4-7(6)10(11)15/h1-4H,5H2,(H,12,13)
InChIKeyWQINSVOOIJDOLJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01C(=O)(CN2C(=O)c1ccccc1C2=O)O
CACTVS 3.385OC(=O)CN1C(=O)c2ccccc2C1=O
OpenEye OEToolkits 1.9.2c1ccc2c(c1)C(=O)N(C2=O)CC(=O)O
FormulaC10 H7 N O4
Name(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic acid
ChEMBLCHEMBL2429920
DrugBank
ZINCZINC000000064576
PDB chain8rd0 Chain D Residue 1803 [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]
PDB8rd0 A ligand discovery toolbox for the WWE domain family of human E3 ligases
Resolution1.765 Å
Binding residue
(original residue number in PDB)		W1619 Y1658 Q1667 R1676
Binding residue
(residue number reindexed from 1)		W5 Y44 Q53 R62
Annotation score1
External links
PDB RCSB:8rd0, PDBe:8rd0, PDBj:8rd0
PDBsum8rd0
PubMed39048679
UniProtQ7Z6Z7|HUWE1_HUMAN E3 ubiquitin-protein ligase HUWE1 (Gene Name=HUWE1)

[Back to BioLiP]