Structure of PDB 6xsw Chain X Binding Site BS02

Receptor Information
>6xsw Chain X (length=231) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRL
FNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQ
GCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLS
AILRTSLRFRLDAHGQAMVFPYHRPEVIGSVVMLEIDNRLCLQSPDHCFP
DAQSAADYLGALSAVERLDFPYPLRDVRGEP
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain6xsw Chain X Residue 1702 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6xsw NOTCH3-targeted antibody drug conjugates regress tumors by inducing apoptosis in receptor cells and through transendocytosis into ligand cells.
Resolution2.98 Å
Binding residue
(original residue number in PDB)		H1479 D1482 R1484 D1486 D1497 D1500
Binding residue
(residue number reindexed from 1)		H92 D95 R97 D99 D110 D113
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0007219 Notch signaling pathway
GO:0007275 multicellular organism development
GO:0030154 cell differentiation
Cellular Component
GO:0016020 membrane

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Biological Process
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Cellular Component
External links
PDB RCSB:6xsw, PDBe:6xsw, PDBj:6xsw
PDBsum6xsw
PubMed34095881
UniProtQ9UM47|NOTC3_HUMAN Neurogenic locus notch homolog protein 3 (Gene Name=NOTCH3)

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