Structure of PDB 4p42 Chain B Binding Site BS01

Receptor Information
>4p42 Chain B (length=431) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TERAEWLNKTVKHMWPFICQFIEKLFRETIEPAVRGANTHLSTFSFTKVD
VGQQPLRINGVKVYTKRQIILDLQISFVGNCEIDLEIKRYFCRAGVKSIQ
IHGTMRVILEPLIGDMPLVGALSIFFLRKPLLEINWTGLTNLLDVPGLNG
LSDTIILDIISNYLVLPNRITVPLVSRFPVPKGVLRIHFIEAQDLPYGII
RVGNQIFQSRVIKENLSPKWNEVYEALVYEHPGQELEIELFDEDPDDFLG
SLMIDLIEVEKERLLDEWFTLDEVPKGKLHLRLEWLTLMPNASNLDKVLT
DIKAGLSSALLILYLDSARNLPSGKKISSNPNPVVQMSVGHKAQESKIRY
KTNEPVWEENFTFFIHNPKRQDLEVEVRDEQHQCSLGNLKVPLSQLLTSE
DMTVSQRFQLSNSGPNSTIKMKIALRVLHLE
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 B 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)		Y330 L331 N335 R336
Binding residue
(residue number reindexed from 1)		Y163 L164 N168 R169
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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