Structure of PDB 7sk8 Chain A Binding Site BS01

Receptor Information
>7sk8 Chain A (length=306) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CIVVDTVMCPNMPNKSVLLYTLSFIYIFIFVIGMIANSVVVWVNIQAKTT
GYDTHCYILNLAIADLWVVLTIPVWVVSLVQHNQWPMGELTCKVTHLIFS
INLFGSIFFLTCMSVDRYLSITYFTNTPSSRKKMVRRVVCILVWLLAFCV
SLPDTYYLKTVTSASNNETYCRSFYPEHSIKEWLIGMELVSVVLGFAVPF
SIIAVFYFLLARAISASSDQEKHSSRKIIFSYVVVFLVCWLPYHVAVLLD
IFSILHYIPFTCRLEHALFTALHVTQCLSLVHCCVNPVLYSFINRNYRYE
LMKAFI
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 chain7sk8 Chain A Residue 401 [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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PDB7sk8 Structures of atypical chemokine receptor 3 reveal the basis for its promiscuity and signaling bias.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		W92 I126
Binding residue
(residue number reindexed from 1)		W67 I101
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004930 G protein-coupled receptor activity
GO:0005044 scavenger receptor activity
GO:0005515 protein binding
GO:0015026 coreceptor activity
GO:0016493 C-C chemokine receptor activity
GO:0016494 C-X-C chemokine receptor activity
GO:0019956 chemokine binding
GO:0019957 C-C chemokine binding
GO:0019958 C-X-C chemokine binding
Biological Process
GO:0001525 angiogenesis
GO:0001570 vasculogenesis
GO:0006935 chemotaxis
GO:0006955 immune response
GO:0007155 cell adhesion
GO:0007186 G protein-coupled receptor signaling pathway
GO:0007204 positive regulation of cytosolic calcium ion concentration
GO:0008285 negative regulation of cell population proliferation
GO:0019722 calcium-mediated signaling
GO:0021557 oculomotor nerve development
GO:0031623 receptor internalization
GO:0060326 cell chemotaxis
GO:0070098 chemokine-mediated signaling pathway
GO:0070374 positive regulation of ERK1 and ERK2 cascade
GO:1902230 negative regulation of intrinsic apoptotic signaling pathway in response to DNA damage
GO:1905322 positive regulation of mesenchymal stem cell migration
Cellular Component
GO:0005768 endosome
GO:0005769 early endosome
GO:0005886 plasma membrane
GO:0005905 clathrin-coated pit
GO:0009897 external side of plasma membrane
GO:0009986 cell surface
GO:0016020 membrane
GO:0043231 intracellular membrane-bounded organelle
GO:0055037 recycling endosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7sk8, PDBe:7sk8, PDBj:7sk8
PDBsum7sk8
PubMed35857509
UniProtP25106|ACKR3_HUMAN Atypical chemokine receptor 3 (Gene Name=ACKR3)

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