Structure of PDB 5tcx Chain A Binding Site BS01

Receptor Information
>5tcx Chain A (length=208) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STKSIKYLLFVFNFVFWLAGGVILGVALWLRHPNTFYVGIYILIAVGAVM
MFVGFLGCYGAIQQCLLGTFFTCLVILFACEVAAGIWGFVNKDQIAKDVK
QFYDQALQQAVVDDDANNAKAVVKTFHETLDCCGSSTLTALTTSVLKNNL
CPSGSNIISNLFKEDCHQKIDDLFSGKLYLIGIAAIVVAVIMIFEMILSM
VLSSGIRN
Ligand information
Ligand IDCLR
InChIInChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKeyHVYWMOMLDIMFJA-DPAQBDIFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
CACTVS 3.341CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
ACDLabs 10.04OC4CCC3(C(=CCC2C1C(C(C(C)CCCC(C)C)CC1)(C)CCC23)C4)C
OpenEye OEToolkits 1.5.0CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
CACTVS 3.341CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C
FormulaC27 H46 O
NameCHOLESTEROL
ChEMBLCHEMBL112570
DrugBankDB04540
ZINCZINC000003875383
PDB chain5tcx Chain A Residue 301 [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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PDB5tcx Crystal Structure of a Full-Length Human Tetraspanin Reveals a Cholesterol-Binding Pocket.
Resolution2.955 Å
Binding residue
(original residue number in PDB)		F21 V68 M72 V75 L101 E219
Binding residue
(residue number reindexed from 1)		F16 V46 M50 V53 L77 E195
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0001618 virus receptor activity
GO:0005178 integrin binding
GO:0005515 protein binding
GO:0008289 lipid binding
GO:0015485 cholesterol binding
GO:0023026 MHC class II protein complex binding
GO:0042289 MHC class II protein binding
GO:1990459 transferrin receptor binding
Biological Process
GO:0001771 immunological synapse formation
GO:0002250 adaptive immune response
GO:0002455 humoral immune response mediated by circulating immunoglobulin
GO:0002863 positive regulation of inflammatory response to antigenic stimulus
GO:0014905 myoblast fusion involved in skeletal muscle regeneration
GO:0030890 positive regulation of B cell proliferation
GO:0031623 receptor internalization
GO:0031647 regulation of protein stability
GO:0034238 macrophage fusion
GO:0035783 CD4-positive, alpha-beta T cell costimulation
GO:0043410 positive regulation of MAPK cascade
GO:0045944 positive regulation of transcription by RNA polymerase II
GO:0046718 symbiont entry into host cell
GO:0050861 positive regulation of B cell receptor signaling pathway
GO:0050862 positive regulation of T cell receptor signaling pathway
GO:0050871 positive regulation of B cell activation
GO:0061462 protein localization to lysosome
GO:0070863 positive regulation of protein exit from endoplasmic reticulum
GO:0071404 cellular response to low-density lipoprotein particle stimulus
GO:0072659 protein localization to plasma membrane
GO:0072675 osteoclast fusion
GO:1903911 positive regulation of receptor clustering
GO:1904352 positive regulation of protein catabolic process in the vacuole
GO:1905521 regulation of macrophage migration
GO:1905676 positive regulation of adaptive immune memory response
GO:2000145 regulation of cell motility
GO:2000553 positive regulation of T-helper 2 cell cytokine production
GO:2000563 positive regulation of CD4-positive, alpha-beta T cell proliferation
GO:2001190 positive regulation of T cell activation via T cell receptor contact with antigen bound to MHC molecule on antigen presenting cell
Cellular Component
GO:0001772 immunological synapse
GO:0005886 plasma membrane
GO:0005925 focal adhesion
GO:0009925 basal plasma membrane
GO:0016020 membrane
GO:0016323 basolateral plasma membrane
GO:0031982 vesicle
GO:0070062 extracellular exosome
GO:0097197 tetraspanin-enriched microdomain

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5tcx, PDBe:5tcx, PDBj:5tcx
PDBsum5tcx
PubMed27881302
UniProtP60033|CD81_HUMAN CD81 antigen (Gene Name=CD81)

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