Structure of PDB 7dxf Chain A Binding Site BS09

Receptor Information
>7dxf Chain A (length=685) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LSIEEERFLDAAEYGNIPVVRKMLEECHSLNVNCVDYMGQNALQLAVANE
HLEITELLLKKENLSRVGDALLLAISKGYVRIVEAILSHPAFAEGKRLDD
FYAYDEDGTRFSHDVTPIILAAHCQEYEIVHTLLRKGARIERPHDYFCKC
NDCNQKQKHDSFSHSRSRINAYKGLASPAYLSLSSEDPVMTALELSNELA
VLANIEKEFKNDYKKLSMQCKDFVVGLLDLCRNTEEVEAILNGDVETLQS
GDHGRPNLSRLKLAIKYEVKKFVAHPNCQQQLLSIWYENLSGLRQQTMAV
KFLVVLAVAIGLPFLALIYWFAPCSKMGKIMRGPFMKFVAHAASFTIFLG
LLVMNAADRFEGTFRMKTSCFSWMEMLIISWVIGMIWAECKEIWTQGPKE
YLFELWNMLDFGMLAIFAASFIARFMAFWHASKAQSIIDNVKYYNLARIK
WDPSDPQIISEGLYAIAVVLSFSRIAYILPANESFGPLQISLGRTVKDIF
KFMVIFIMVFVAFMIGMFNLYSYYIGAKQNEAFTTVEESFKTLFWAIFGL
SEVKSVVINYNHKFIENIGYVLYGVYNVTMVIVLLNMLIAMINSSFQEIE
DDADVEWKFARAKLWFSYFEEGRTLPVPFNLVPRQYQKIMKRLIKRYVLQ
AQIDKESDEVNEGELKEIKQDISSLRYELLEEKSQ
Ligand information
Ligand IDW99
InChIInChI=1S/C18H21N3O3S/c1-11-5-12(2)8-21(7-11)17(22)14-9-25-18(20-14)19-13-3-4-15-16(6-13)24-10-23-15/h3-4,6,9,11-12H,5,7-8,10H2,1-2H3,(H,19,20)/t11-,12+
InChIKeyUBMOUBBRNPNZPM-TXEJJXNPSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1CC(CN(C1)C(=O)c2csc(n2)Nc3ccc4c(c3)OCO4)C
CACTVS 3.385C[C@@H]1C[C@H](C)CN(C1)C(=O)c2csc(Nc3ccc4OCOc4c3)n2
CACTVS 3.385C[CH]1C[CH](C)CN(C1)C(=O)c2csc(Nc3ccc4OCOc4c3)n2
OpenEye OEToolkits 2.0.7C[C@@H]1C[C@@H](CN(C1)C(=O)c2csc(n2)Nc3ccc4c(c3)OCO4)C
FormulaC18 H21 N3 O3 S
Name[2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
ChEMBL
DrugBank
ZINC
PDB chain7dxf Chain B Residue 1002 [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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PDB7dxf Structural mechanism of human TRPC3 and TRPC6 channel regulation by their intracellular calcium-binding sites.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		I640 M643 V644 F648
Binding residue
(residue number reindexed from 1)		I505 M508 V509 F513
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005216 monoatomic ion channel activity
GO:0005261 monoatomic cation channel activity
GO:0005262 calcium channel activity
GO:0005515 protein binding
GO:0015279 store-operated calcium channel activity
GO:0042803 protein homodimerization activity
GO:0070679 inositol 1,4,5 trisphosphate binding
Biological Process
GO:0006811 monoatomic ion transport
GO:0006812 monoatomic cation transport
GO:0007204 positive regulation of cytosolic calcium ion concentration
GO:0007338 single fertilization
GO:0032414 positive regulation of ion transmembrane transporter activity
GO:0051480 regulation of cytosolic calcium ion concentration
GO:0051928 positive regulation of calcium ion transport
GO:0055085 transmembrane transport
GO:0070588 calcium ion transmembrane transport
Cellular Component
GO:0005737 cytoplasm
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0034703 cation channel complex
GO:0036057 slit diaphragm

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7dxf, PDBe:7dxf, PDBj:7dxf
PDBsum7dxf
PubMed35051376
UniProtQ9Y210|TRPC6_HUMAN Short transient receptor potential channel 6 (Gene Name=TRPC6)

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