Structure of PDB 5irx Chain D Binding Site BS04

Receptor Information
>5irx Chain D (length=394) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TPLALAASSGKIGVLAYILQREIHEPECRHLSRKFTEWAYGPVHSSLYDL
SCIDTCEKNSVLEVIAYSSSETPNRHDMLLVEPLNRLLQDKWDRFVKRIF
YFNFFVYCLYMIIFTAAAYYRPVEGLPPYKLKNTVGDYFRVTGEILSVSG
GVYFFFRGIQYFLQRRPSLKSLFVDSYSEILFFVQSLFMLVSVVLYFSQR
KEYVASMVFSLAMGWTNMLYYTRGFQQMGIYAVMIEKMILRDLCRFMFVY
LVFLFGFSTAVVTLIEDGKYNSLYSTCLELFKFTIGMGDLEFTENYDFKA
VFIILLLAYVILTYILLLNMLIALMGETVNKIAQESKNIWKLQRAITILD
TEKSFLKCMRKAFRSGKLLQVGFTPDGKDDYRWCFRVDEVNWTT
Ligand information
Ligand ID6EU
InChIInChI=1S/C37H40O9/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)16-25-11-12-28(38)29(15-25)42-5/h6-15,23,27,30,33,38,41H,1,16-20H2,2-5H3/t23-,27+,30-,33-,34-,35-,36-,37-/m1/s1
InChIKeyDSDNAKHZNJAGHN-MXTYGGKSSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.4CC1CC2(C3C4C1(C5C=C(C(=O)C5(CC(=C4)COC(=O)Cc6ccc(c(c6)OC)O)O)C)OC(O3)(O2)Cc7ccccc7)C(=C)C
CACTVS 3.385COc1cc(CC(=O)OCC2=C[CH]3[CH]4O[C]5(Cc6ccccc6)O[C]4(C[CH](C)[C]3(O5)[CH]7C=C(C)C(=O)[C]7(O)C2)C(C)=C)ccc1O
CACTVS 3.385COc1cc(CC(=O)OCC2=C[C@H]3[C@H]4O[C@]5(Cc6ccccc6)O[C@]4(C[C@@H](C)[C@]3(O5)[C@@H]7C=C(C)C(=O)[C@@]7(O)C2)C(C)=C)ccc1O
ACDLabs 12.01COc1cc(ccc1O)CC(=O)OCC=3CC2(C(C=C(C2=O)C)C54C(C=3)C6C(CC4C)(OC(O5)(O6)Cc7ccccc7)\C(=C)C)O
OpenEye OEToolkits 2.0.4C[C@@H]1C[C@]2([C@H]3[C@H]4[C@]1([C@@H]5C=C(C(=O)[C@]5(CC(=C4)COC(=O)Cc6ccc(c(c6)OC)O)O)C)O[C@](O3)(O2)Cc7ccccc7)C(=C)C
FormulaC37 H40 O9
Nameresiniferatoxin;
RTX
ChEMBLCHEMBL17976
DrugBankDB06515
ZINCZINC000004262463
PDB chain5irx Chain D Residue 805 [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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PDB5irx TRPV1 structures in nanodiscs reveal mechanisms of ligand and lipid action.
Resolution2.95 Å
Binding residue
(original residue number in PDB)		Y511 S512 L515 A546 M547 T550 L553 Y554 R557 I569 I573
Binding residue
(residue number reindexed from 1)		Y177 S178 L181 A212 M213 T216 L219 Y220 R223 I235 I239
Annotation score1
Binding affinityBindingDB: Ki=0.13nM,IC50=180nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005216 monoatomic ion channel activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0055085 transmembrane transport
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5irx, PDBe:5irx, PDBj:5irx
PDBsum5irx
PubMed27281200
UniProtO35433|TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 (Gene Name=Trpv1)

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