Structure of PDB 6xsw Chain C Binding Site BS01

Receptor Information
>6xsw Chain C (length=220) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFN
NSRCDPACSSPACLYDNFDCHAERTCNPVYEKYCADHFADGRCDQGCNTE
ECGWDGLDCASVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTS
LRFRLDAHGQAMVFPYHRPEVGSVVMLEIDNRLCLHCFPDAQSAADYLGA
LSAVERLDFPYPLRDVRGEP
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 C Residue 1701 [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)		K1396 D1399 R1401 D1403 D1414 D1417
Binding residue
(residue number reindexed from 1)		K7 D10 R12 D14 D25 D28
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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