Structure of PDB 8ojh Chain B Binding Site BS02

Receptor Information
>8ojh Chain B (length=375) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PNIINFDTSLPTSHTYLGADMEEFHGRTLHDDDSCQVIPVLPQVMMILIP
GQTLPLQLFHPQEVSMVRNLIQKDRTFAVLAYSNVQEREAQFGTTAEIYA
YREEQDFGIEIVKVKAIGRQRFKVLELRTQSDGIQQAKVQILPECVLPST
MSAVQLESLNKCQIFPSKPSYKWWQKYQKRKFHCANLTSWPRWLYSLYDA
ETLMDRIKKQLREWDENDSLPSNPIDFSYRVAACLPIDDVLRIQLLKIGS
AIQRLRCELDIMNKCTSLCCKQCQETEITTKNEIFSLSLCGPMAAYVNPH
GYVHETLTVYKACNLNLIGRPSTEHSWFPGYAWTVAQCKICASHIGWKFT
ATKKDMSPQKFWGLTRSALLPTIPD
Ligand information
Ligand IDVP9
InChIInChI=1S/C14H13N3O5/c1-22-8-4-2-6(15)10-11(8)14(21)17(13(10)20)7-3-5-9(18)16-12(7)19/h2,4,7H,3,5,15H2,1H3,(H,16,18,19)/t7-/m0/s1
InChIKeyJQKAGYPIPZUGHW-ZETCQYMHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccc(c2c1C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O)N
CACTVS 3.385COc1ccc(N)c2C(=O)N([C@H]3CCC(=O)NC3=O)C(=O)c12
CACTVS 3.385COc1ccc(N)c2C(=O)N([CH]3CCC(=O)NC3=O)C(=O)c12
OpenEye OEToolkits 2.0.7COc1ccc(c2c1C(=O)N(C2=O)C3CCC(=O)NC3=O)N
FormulaC14 H13 N3 O5
Name4-azanyl-2-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-7-methoxy-isoindole-1,3-dione
ChEMBL
DrugBank
ZINC
PDB chain8ojh Chain B Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8ojh A degron blocking strategy towards improved CRL4CRBN recruiting PROTAC selectivity.
Resolution2.72 Å
Binding residue
(original residue number in PDB)		N351 P352 H353 H378 S379 W380 W386 W400 F402
Binding residue
(residue number reindexed from 1)		N298 P299 H300 H325 S326 W327 W333 W347 F349
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0044325 transmembrane transporter binding
GO:0046872 metal ion binding
Biological Process
GO:0016567 protein ubiquitination
GO:0030177 positive regulation of Wnt signaling pathway
GO:0031333 negative regulation of protein-containing complex assembly
GO:0031334 positive regulation of protein-containing complex assembly
GO:0034766 negative regulation of monoatomic ion transmembrane transport
GO:0035641 locomotory exploration behavior
GO:0043161 proteasome-mediated ubiquitin-dependent protein catabolic process
GO:1902607 negative regulation of large conductance calcium-activated potassium channel activity
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0016020 membrane
GO:0031464 Cul4A-RING E3 ubiquitin ligase complex
GO:0048471 perinuclear region of cytoplasm

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8ojh, PDBe:8ojh, PDBj:8ojh
PDBsum8ojh
PubMed37418539
UniProtQ96SW2|CRBN_HUMAN Protein cereblon (Gene Name=CRBN)

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