Structure of PDB 3i08 Chain C Binding Site BS01

Receptor Information
>3i08 Chain C (length=174) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ACELPECQEDAGNKVCSLQCNNHACGWDGGDCSLNFNDPWKNCTQSLQCW
KYFSDGHCDSQCNSAGCLFDGFDCQRAEGQCNPLYDQYCKDHFSDGHCDQ
GCNSAECEWDGLDCAEHVPERLAAGTLVVVVLMPPEQLRNSSFHFLRELS
RVLHTNVVFKRDAHGQQMIFPYYG
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 chain3i08 Chain C Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3i08 Effects of S1 cleavage on the structure, surface export, and signaling activity of human Notch1 and Notch2.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		D1458 N1461 V1463 S1465 D1476 D1479
Binding residue
(residue number reindexed from 1)		D10 N13 V15 S17 D28 D31
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
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:3i08, PDBe:3i08, PDBj:3i08
PDBsum3i08
PubMed19701457
UniProtP46531|NOTC1_HUMAN Neurogenic locus notch homolog protein 1 (Gene Name=NOTCH1)

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