Structure of PDB 7mzb Chain B Binding Site BS01

Receptor Information
>7mzb Chain B (length=536) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YTDSYYKGQTALHIAIERRNMTLVTLLVENGADVQAAANGDFFKKTKGRP
GFYFGELPLSLAACTNQLAIVKFLLQNSWQPADISARDSVGNTVLHALVE
VADNTVDNTKFVTSMYNEILILGAKLHPTLKLEEITNRKGLTPLALAASS
GKIGVLAYILQREIHEPECRHLSRKFTEWAYGPVHSSLYDLSCIDTCEKN
SVLEVIAYSSSETPNRHDMLLVEPLNRLLQDKWDRFVKRIFYFNFFVYCL
YMIIFTAAAYYRPVEGLPPYKLKNTVGDYFRVTGEILSVSGGVYFFFRGI
QYFLQRRPSLKSLFVDSYSEILFFVQSLFMLVSVVLYFSQRKEYVASMVF
SLAMGWTNMLYYTRGFQQMGIYAVMIEKMILRDLCRFMFVYLVFLFGFST
AVVTLIEDGKYNSLYSTCLELFKFTIGMGDLEFTENYDFKAVFIILLLAY
VILTYILLLNMLIALMGETVNKIAQESKNIWKLQRAITILDTEKSFLKCM
RKAFRSGKLLQVGFTPDGKDDYRWCFRVDEVNWTTW
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 chain7mzb Chain B 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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PDB7mzb Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Resolution3.72 Å
Binding residue
(original residue number in PDB)		Y511 S512 L515 M547 T550 N551 Y554 R557 E570
Binding residue
(residue number reindexed from 1)		Y318 S319 L322 M354 T357 N358 Y361 R364 E377
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:7mzb, PDBe:7mzb, PDBj:7mzb
PDBsum7mzb
PubMed34496225
UniProtO35433|TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 (Gene Name=Trpv1)

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