Structure of PDB 4p42 Chain A Binding Site BS01

Receptor Information
>4p42 Chain A (length=455) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DTERAEWLNKTVKHMWPFICQFIEKLFRETIEPAVRGANTHLSTFSFTKV
DVGQQPLRINGVKVYTENVDKRQIILDLQISFVGNCEIDLEIKRYFCRAG
VKSIQIHGTMRVILEPLIGDMPLVGALSIFFLRKPLLEINWTGLTNLLDV
PGLNGLSDTIILDIISNYLVLPNRITVPLVSEVQIAQLRFPVPKGVLRIH
FIEAQDLQGKDTYLKGLVKGKSDPYGIIRVGNQIFQSRVIKENLSPKWNE
VYEALVYEHPGQELEIELFDEDPDKDDFLGSLMIDLIEVEKERLLDEWFT
LDEVPKGKLHLRLEWLTLMPNASNLDKVLTDIGLSSALLILYLDSARNLP
SSSNPNPVVQMSVGHKAQESKIRYKTNEPVWEENFTFFIHNPKRQDLEVE
VRDEQHQCSLGNLKVPLSQLLTSEDMTVSQRFQLSNSGPNSTIKMKIALR
VLHLE
Ligand information
Ligand IDEGC
InChIInChI=1S/C32H58O10/c1-31(2,3)28-32(4,5)29-6-8-30(9-7-29)42-27-26-41-25-24-40-23-22-39-21-20-38-19-18-37-17-16-36-15-14-35-13-12-34-11-10-33/h6-9,33H,10-28H2,1-5H3
InChIKeyVJYAJQFKKLYARJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC(C)(C)CC(C)(C)c1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1
OpenEye OEToolkits 1.5.0CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCOCCO
ACDLabs 10.04O(c1ccc(cc1)C(C)(C)CC(C)(C)C)CCOCCOCCOCCOCCOCCOCCOCCOCCO
FormulaC32 H58 O10
Name2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOX Y}-ETHOXY)-ETHANOL;
TRITON X-100
ChEMBL
DrugBank
ZINCZINC000039470915
PDB chain4p42 Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4p42 Structure of a lipid-bound extended synaptotagmin indicates a role in lipid transfer.
Resolution2.44 Å
Binding residue
(original residue number in PDB)		M272 L331 P334 N335 R336 I337
Binding residue
(residue number reindexed from 1)		M110 L169 P172 N173 R174 I175
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006869 lipid transport
GO:0061817 endoplasmic reticulum-plasma membrane tethering

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Molecular Function
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Biological Process
External links
PDB RCSB:4p42, PDBe:4p42, PDBj:4p42
PDBsum4p42
PubMed24847877
UniProtA0FGR8|ESYT2_HUMAN Extended synaptotagmin-2 (Gene Name=ESYT2)

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