Structure of PDB 8rd1 Chain A Binding Site BS01

Receptor Information
>8rd1 Chain A (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 IDYP2
InChIInChI=1S/C11H7NO6/c13-8(14)4-12-9(15)6-2-1-5(11(17)18)3-7(6)10(12)16/h1-3H,4H2,(H,13,14)(H,17,18)
InChIKeyRPFFHROJAGNUIW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2c(cc1C(=O)O)C(=O)N(C2=O)CC(=O)O
CACTVS 3.385OC(=O)CN1C(=O)c2ccc(cc2C1=O)C(O)=O
FormulaC11 H7 N O6
Name2-(2-hydroxy-2-oxoethyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid
ChEMBL
DrugBank
ZINC
PDB chain8rd1 Chain A Residue 1803 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8rd1 A ligand discovery toolbox for the WWE domain family of human E3 ligases
Resolution1.896 Å
Binding residue
(original residue number in PDB)		W1619 Y1630 S1631 N1634 Y1658 Q1667 R1676
Binding residue
(residue number reindexed from 1)		W5 Y16 S17 N20 Y44 Q53 R62
Annotation score1
External links
PDB RCSB:8rd1, PDBe:8rd1, PDBj:8rd1
PDBsum8rd1
PubMed39048679
UniProtQ7Z6Z7|HUWE1_HUMAN E3 ubiquitin-protein ligase HUWE1 (Gene Name=HUWE1)

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