Structure of PDB 2oo4 Chain A Binding Site BS01

Receptor Information
>2oo4 Chain A (length=226) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CLSQYCADKARDGVCDEACNSHACQWDGGDCSLTMENPWANCSSPLPCWD
YINNQCDELCNTVECLFDNFECQGNSKTCKYDKYCADHFKDNHCNQGCNS
EECGWDGLDCAADQPENLAEGTLVIVVLMPPEQLLQDARSFLRALGTLLH
TNLRIKRDSQGELMVYPYYGEVAGSKVFLEIDNRQCVQDSDHCFKNTDAA
AALLASHAIQGTLSYPLVSVVSESLT
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 chain2oo4 Chain A Residue 5001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2oo4 Structural basis for autoinhibition of Notch
Resolution2.003 Å
Binding residue
(original residue number in PDB)		K1433 D1436 V1438 D1440 D1451 D1454
Binding residue
(residue number reindexed from 1)		K9 D12 V14 D16 D27 D30
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:2oo4, PDBe:2oo4, PDBj:2oo4
PDBsum2oo4
PubMed17401372
UniProtQ04721|NOTC2_HUMAN Neurogenic locus notch homolog protein 2 (Gene Name=NOTCH2)

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