Structure of PDB 8shc Chain C Binding Site BS06

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 817 [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)		F141 T224 I363 L407
Binding residue
(residue number reindexed from 1)		F101 T173 I312 L356
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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