Structure of PDB 7l2x Chain C Binding Site BS03

Receptor Information
>7l2x Chain C (length=536) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SYTDSYYKGQTALHIAIERRNMTLVTLLVENGADVQAAANGDFFKKTKGR
PGFYFGELPLSLAACTNQLAIVKFLLQNSWQPADISARDSVGNTVLHALV
EVADNTVDNTKFVTSMYNEILILGAKLHPTLKLEEITNRKGLTPLALAAS
SGKIGVLAYILQREIHEPECRHLSRKFTEWAYGPVHSSLYDLSCIDTCEK
NSVLEVIAYSSSETPNRHDMLLVEPLNRLLQDKWDRFVKRIFYFNFFVYC
LYMIIFTAAAYYRPVEGLPPYKLKNTVGDYFRVTGEILSVSGGVYFFFRG
IQYFLQRRPSLKSLFVDSYSEILFFVQSLFMLVSVVLYFSQRKEYVASMV
FSLAMGWTNMLYYTRGFQQMGIYAVMIEKMILRDLCRFMFVYLVFLFGFS
TAVVTLIEDGKYNSLYSTCLELFKFTIGMGDLEFTENYDFKAVFIILLLA
YVILTYILLLNMLIALMGETVNKIAQESKNIWKLQRAITILDTEKSFLKC
MRKAFRSGKLLQVGFTPDGKDDYRWCFRVDEVNWTT
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 chain7l2x Chain C Residue 901 [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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PDB7l2x Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Resolution3.26 Å
Binding residue
(original residue number in PDB)		L515 M547 Y554 R557
Binding residue
(residue number reindexed from 1)		L323 M355 Y362 R365
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:7l2x, PDBe:7l2x, PDBj:7l2x
PDBsum7l2x
PubMed34496225
UniProtO35433|TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 (Gene Name=Trpv1)

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