Structure of PDB 7dxg Chain B Binding Site BS04

Receptor Information
>7dxg Chain B (length=698) 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
LLVMNAADRFEGTLFRMKTSCFSWMEMLIISWVIGMIWAECKEIWTQGPK
EYLFELWNMLDFGMLAIFAASFIARFMAFWHASKAQSIIDNVKYYNLARI
KWDPSDPQIISEGLYAIAVVLSFSRIAYILPANESFGPLQISLGRTVKDI
FKFMVIFIMVFVAFMIGMFNLYSYYIGAKQNEAFTTVEESFKTLFWAIFG
LSEVKSVVINYNHKFIENIGYVLYGVYNVTMVIVLLNMLIAMINSSFQDA
DVEWKFARAKLWFSYFEEGRTLPVPFNLVPRQYQKIMKRLIKRYVLQAQI
DKESDEVNEGELKEIKQDISSLRYELLEEKSQNTEDLAELIRELGEKL
Ligand information
Ligand IDHOR
InChIInChI=1S/C21H22ClN3O/c22-18-10-14(12-23)7-8-20(18)26-21-17-6-2-1-4-15(17)11-19(21)25-9-3-5-16(24)13-25/h1-2,4,6-8,10,16,19,21H,3,5,9,11,13,24H2/t16-,19-,21-/m1/s1
InChIKeyRLKRLNQEXBPQGQ-OZOXKJRCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)CC(C2Oc3ccc(cc3Cl)C#N)N4CCCC(C4)N
CACTVS 3.385N[CH]1CCCN(C1)[CH]2Cc3ccccc3[CH]2Oc4ccc(cc4Cl)C#N
CACTVS 3.385N[C@@H]1CCCN(C1)[C@@H]2Cc3ccccc3[C@H]2Oc4ccc(cc4Cl)C#N
OpenEye OEToolkits 2.0.7c1ccc2c(c1)C[C@H]([C@@H]2Oc3ccc(cc3Cl)C#N)N4CCC[C@H](C4)N
FormulaC21 H22 Cl N3 O
Name4-[[(1R,2R)-2-[(3R)-3-azanylpiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-3-chloranyl-benzenecarbonitrile;
SAR7334
ChEMBLCHEMBL4129809
DrugBank
ZINCZINC000072317946
PDB chain7dxg Chain B Residue 1004 [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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PDB7dxg 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)		H446 E509 D530 R609 Y612 I613 S752 Y753 R758
Binding residue
(residue number reindexed from 1)		H341 E390 D411 R475 Y478 I479 S614 Y615 R620
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

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7dxg, PDBe:7dxg, PDBj:7dxg
PDBsum7dxg
PubMed35051376
UniProtQ9Y210|TRPC6_HUMAN Short transient receptor potential channel 6 (Gene Name=TRPC6)

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