Structure of PDB 5irx Chain B Binding Site BS02

Receptor Information
>5irx Chain B (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 ID6O8
InChIInChI=1S/C19H38NO8P/c1-6-8-10-12-19(22)28-17(15-25-18(21)11-9-7-2)16-27-29(23,24)26-14-13-20(3,4)5/h17H,6-16H2,1-5H3/p+1/t17-/m0/s1
InChIKeyIZTOQGOABQJQQN-KRWDZBQOSA-O
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCC(=O)O[C@@H](COC(=O)CCCC)CO[P](O)(=O)OCC[N+](C)(C)C
ACDLabs 12.01CCCCC(OCC(OC(=O)CCCCC)COP(OCC[N+](C)(C)C)(O)=O)=O
OpenEye OEToolkits 2.0.4CCCCCC(=O)O[C@@H](COC(=O)CCCC)COP(=O)(O)OCC[N+](C)(C)C
CACTVS 3.385CCCCCC(=O)O[CH](COC(=O)CCCC)CO[P](O)(=O)OCC[N+](C)(C)C
OpenEye OEToolkits 2.0.4CCCCCC(=O)OC(COC(=O)CCCC)COP(=O)(O)OCC[N+](C)(C)C
FormulaC19 H39 N O8 P
Name(4R,7S)-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-7-[(pentanoyloxy)methyl]-3,5,8-trioxa-4lambda~5~-phosphatetradecan-1-aminium
ChEMBL
DrugBank
ZINCZINC000584904728
PDB chain5irx Chain B Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5irx TRPV1 structures in nanodiscs reveal mechanisms of ligand and lipid action.
Resolution2.95 Å
Binding residue
(original residue number in PDB)		N437 F488 R491 E513 F516 Y554
Binding residue
(residue number reindexed from 1)		N103 F154 R157 E179 F182 Y220
Annotation score1
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
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)

[Back to BioLiP]