Structure of PDB 6uz8 Chain C Binding Site BS01

Receptor Information
>6uz8 Chain C (length=734) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AYMFSDRSTSLSIEEERFLDAAEYGNIPVVRKMLEECHSLNVNCVDYMGQ
NALQLAVANEHLEITELLLKKENLSRVGDALLLAISKGYVRIVEAILSHP
AFAEGKRLATQDDFYAYDEDGTRFSHDVTPIILAAHCQEYEIVHTLLRKG
ARIERPHDYFCKCNDCNQKQKHDSFSHSRSRINAYKGLASPAYLSLSSED
PVMTALELSNELAVLANIEKEFKNDYKKLSMQCKDFVVGLLDLCRNTEEV
EAILNGDVETLQSGDHGRPNLSRLKLAIKYEVKKFVAHPNCQQQLLSIWY
ENLSGLRQQTMAVKFLVVLAVAIGLPFLALIYWFAPCSKMGKIMRGPFMK
FVAHAASFTIFLGLLVMNAADRFEGTKLLPNETSTDNAKQLFRMKTSCFS
WMEMLIISWVIGMIWAECKEIWTQGPKEYLFELWNMLDFGMLAIFAASFI
ARFMAFWHASKAQSIIDKVTLGDNVKYYNLARIKWDPSDPQIISEGLYAI
AVVLSFSRIAYILPANESFGPLQISLGRTVKDIFKFMVIFIMVFVAFMIG
MFNLYSYYIGAKQNEAFTTVEESFKTLFWAIFGLSEVKSVVINYNHKFIE
NIGYVLYGVYNVTMVIVLLNMLIAMINSSFQEIEDDADVEWKFARAKLWF
SYFEEGRTLPVPFNLVRQYQKIMKRLIKRYTTQAQIDKESDEVNEGELKE
IKQDISSLRYELLEEKSQNTEDLAELIRELGEKL
Ligand information
Ligand IDR0D
InChIInChI=1S/C21H19ClN2O3/c22-14-5-6-16-15(11-14)21(13-23-16)7-9-24(10-8-21)20(25)19-12-26-17-3-1-2-4-18(17)27-19/h1-6,11,13,19H,7-10,12H2/t19-/m1/s1
InChIKeyFORRKPPZDDUANL-LJQANCHMSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)OC[C@@H](O2)C(=O)N3CCC4(CC3)C=Nc5c4cc(cc5)Cl
CACTVS 3.385Clc1ccc2N=CC3(CCN(CC3)C(=O)[CH]4COc5ccccc5O4)c2c1
CACTVS 3.385Clc1ccc2N=CC3(CCN(CC3)C(=O)[C@H]4COc5ccccc5O4)c2c1
OpenEye OEToolkits 2.0.7c1ccc2c(c1)OCC(O2)C(=O)N3CCC4(CC3)C=Nc5c4cc(cc5)Cl
ACDLabs 12.01C3CC2(c1cc(Cl)ccc1N=C2)CCN3C(C5COc4ccccc4O5)=O
FormulaC21 H19 Cl N2 O3
Name(5-chloro-1'H-spiro[indole-3,4'-piperidin]-1'-yl)[(2R)-2,3-dihydro-1,4-benzodioxin-2-yl]methanone
ChEMBL
DrugBank
ZINC
PDB chain6uz8 Chain D Residue 1003 [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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PDB6uz8 Structural basis for pharmacological modulation of the TRPC6 channel.
Resolution2.84 Å
Binding residue
(original residue number in PDB)		E672 F675 F679
Binding residue
(residue number reindexed from 1)		E571 F574 F578
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:6uz8, PDBe:6uz8, PDBj:6uz8
PDBsum6uz8
PubMed32149605
UniProtQ9Y210|TRPC6_HUMAN Short transient receptor potential channel 6 (Gene Name=TRPC6)

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