Structure of PDB 6xsw Chain X Binding Site BS04

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 1704 [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)		C1476 C1489 C1494 D1497
Binding residue
(residue number reindexed from 1)		C89 C102 C107 D110
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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