Structure of PDB 3eto Chain B Binding Site BS03

Receptor Information
>3eto Chain B (length=232) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ACELPECQEDAGNKVCSLQCNNHACGWDGGDCSLNFNDPWKNCTQSLQCW
KYFSDGHCDSQCNSAGCLFDGFDCQRAEGQCNPLYDQYCKDHFSDGHCDQ
GCNSAECEWDGLDCAEHVPERLAAGTLVVVVLMPPEQLRNSSFHFLRELS
RVLHTNVVFKRDAHGQQMIFPYYGMDVRGSIVYLEIDNRQCVQASSQCFQ
SATDVAAFLGALASLGSLNIPYKIEAVQSETV
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 chain3eto Chain B Residue 2003 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3eto Structure of the Notch1-negative regulatory region: implications for normal activation and pathogenic signaling in T-ALL.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		H1540 D1543 H1545 D1547 D1558 D1561
Binding residue
(residue number reindexed from 1)		H92 D95 H97 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:3eto, PDBe:3eto, PDBj:3eto
PDBsum3eto
PubMed19075186
UniProtP46531|NOTC1_HUMAN Neurogenic locus notch homolog protein 1 (Gene Name=NOTCH1)

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