Structure of PDB 8sh3 Chain C Binding Site BS04

Receptor Information
>8sh3 Chain C (length=613) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SCSYVVSRPVYSELAFQQQYERRVLKTLLPVLDWLPKYRIKEWLLSDIIS
GVSTGLVGTLQGMAYALLAAVPVGYGLYSAFFPILTYFIFGTSRHISVGP
FPVVSLMVGSVVLSMAPDEHFIISIDFAARDAARVLIASTLTLLVGIIQL
IFGGLQIGFIVRYLADPLVGGFTTAAAFQVLVSQLKIVLNVSTKNYNGIL
SIIYTLIEIFQNIGNTNLADFIAGLLTIIICMAVKELNDRFKHKIPVPIP
IEVIVTIIATAISYAVNLEKNYNAGIVKSIPRGFLPPEIPPISLFSEMLT
ASFSIAVVAYAIAVSVGKVYAIKYDYTIDGNQEFIAFGISNIFSGFFSCF
VATTALSRTAVQESTGGKTQIAGIISAAVVMIAIVALGKLLEPLQKSVLA
AVVIANLKGMFMQVCDVPRLWRQNKTDAVIWVFTCIASIILGLDLGLLAG
LMFGFLTVVVRVQFPSWNSLGSIPNTDIYRSTKDYKNIEEPEGVKILRFS
SPIFYGNVDGLKKCIKSTVGFDAIRVYNKRLKALPIHSLVLDCGAVSFLD
VVGVRSLRMIVKEFQRIDVHVYFASLQDHVIEKLEQCGFFNDSIRKDIFF
LTVHDAILHLRSQ
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 chain8sh3 Chain C Residue 808 [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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PDB8sh3 Pendrin in complex with chloride
Resolution2.8 Å
Binding residue
(original residue number in PDB)		A274 V306 I309 I313 Y323
Binding residue
(residue number reindexed from 1)		A223 V255 I258 I262 Y272
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008271 secondary active sulfate transmembrane transporter activity
GO:0008509 monoatomic anion transmembrane transporter activity
GO:0015106 bicarbonate transmembrane transporter activity
GO:0015108 chloride transmembrane transporter activity
GO:0015111 iodide transmembrane transporter activity
GO:0015116 sulfate transmembrane transporter activity
GO:0019531 oxalate transmembrane transporter activity
GO:0140900 chloride:bicarbonate antiporter activity
Biological Process
GO:0006885 regulation of pH
GO:0015701 bicarbonate transport
GO:0015705 iodide transport
GO:0019532 oxalate transport
GO:0032880 regulation of protein localization
GO:0055085 transmembrane transport
GO:0098656 monoatomic anion transmembrane transport
GO:0098661 inorganic anion transmembrane transport
GO:1902358 sulfate transmembrane transport
GO:1902476 chloride transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0016324 apical plasma membrane
GO:0031526 brush border membrane
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8sh3, PDBe:8sh3, PDBj:8sh3
PDBsum8sh3
PubMed38184688
UniProtI3L8V6

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