Structure of PDB 8shc Chain C Binding Site BS07

Receptor Information
>8shc 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 IDNFL
InChIInChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)
InChIKeyJZFPYUNJRRFVQU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(cc(c1)Nc2c(cccn2)C(=O)O)C(F)(F)F
CACTVS 3.341OC(=O)c1cccnc1Nc2cccc(c2)C(F)(F)F
ACDLabs 10.04FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O
FormulaC13 H9 F3 N2 O2
Name2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID;
2-[(3-TRIFLUOROMETHYL)PHENYL]AMINO-3-PYRIDINE-CARBOXYLIC ACID
ChEMBLCHEMBL63323
DrugBankDB04552
ZINCZINC000000125031
PDB chain8shc Chain C Residue 818 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8shc Pendrin in complex with niflumic acid
Resolution3.0 Å
Binding residue
(original residue number in PDB)		Y105 E303 S408 V453 N457
Binding residue
(residue number reindexed from 1)		Y65 E252 S357 V402 N406
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:8shc, PDBe:8shc, PDBj:8shc
PDBsum8shc
PubMed38184688
UniProtI3L8V6

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