Structure of PDB 8u30 Chain A Binding Site BS01

Receptor Information
>8u30 Chain A (length=527) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SYYKGQTALHIAIERRNMTLVTLLVENGADVQAAANGDFFKKTKGRPGFY
FGELPLSLAACTNQLAIVKFLLQNSWQPADISARDSVGNTVLHALVEVAD
NTVDNTKFVTSMYNEILILGAKLHPTLKLEEITNRKGLTPLALAASSGKI
GVLAYILQREIHEPECRHLSRKFTEWAYGPVHSSLYDLSCIDTCEKNSVL
EVIAYSSSETPNRHDMLLVEPLNRLLQDKWDRFVKRIFYFNFFVYCLYMI
IFTAAAYYRPVEGLPPYKLKNTVGDYFRVTGEILSVSGGVYFFFRGIQYF
LQRRPSLKSLFVDSYSEILFFVQSLFMLVSVVLYFSQRKEYVASMVFSLA
MGWTNMLYYTRGFQQMGIYAVMIEKMILRDLCRFMFVYLVFLFGFSTAVV
TLIEDGKYNSLYSTCLELFKFTIGMGDLEFTENYDFKAVFIILLLAYVIL
TYILLLNMLIALMGETVNKIAQESKNIWKLQRAITILDTEKSFAFRSGKL
LQVGFTPDGKDDYRWCFRVDEVNWTTW
Ligand information
Ligand IDPIO
InChIInChI=1S/C25H49O19P3/c1-3-5-7-9-11-13-18(26)39-15-17(41-19(27)14-12-10-8-6-4-2)16-40-47(37,38)44-23-20(28)21(29)24(42-45(31,32)33)25(22(23)30)43-46(34,35)36/h17,20-25,28-30H,3-16H2,1-2H3,(H,37,38)(H2,31,32,33)(H2,34,35,36)/t17-,20-,21+,22+,23-,24-,25-/m1/s1
InChIKeyXLNCEHRXXWQMPK-MJUMVPIBSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCCC(=O)OC[C@H](CO[P](O)(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@H]1O)OC(=O)CCCCCCC
CACTVS 3.385CCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O)OC(=O)CCCCCCC
OpenEye OEToolkits 1.9.2CCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC
OpenEye OEToolkits 1.9.2CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC
ACDLabs 12.01O=C(OCC(OC(=O)CCCCCCC)COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)CCCCCCC
FormulaC25 H49 O19 P3
Name[(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate;
dioctanoyl l-alpha-phosphatidyl-d-myo-inositol 4,5-diphosphate
ChEMBL
DrugBank
ZINCZINC000097972490
PDB chain8u30 Chain A 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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PDB8u30 Structural basis of TRPV1 modulation by endogenous bioactive lipids.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		R409 H410 V508 D509 S510 Y511 S512 L515 L553 R557 E570 I696 Q700
Binding residue
(residue number reindexed from 1)		R213 H214 V312 D313 S314 Y315 S316 L319 L357 R361 E374 I477 Q481
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004888 transmembrane signaling receptor activity
GO:0005216 monoatomic ion channel activity
GO:0005230 extracellular ligand-gated monoatomic ion channel activity
GO:0005231 excitatory extracellular ligand-gated monoatomic ion channel activity
GO:0005261 monoatomic cation channel activity
GO:0005262 calcium channel activity
GO:0005515 protein binding
GO:0005516 calmodulin binding
GO:0005524 ATP binding
GO:0008289 lipid binding
GO:0008324 monoatomic cation transmembrane transporter activity
GO:0015276 ligand-gated monoatomic ion channel activity
GO:0015278 intracellularly gated calcium channel activity
GO:0017081 chloride channel regulator activity
GO:0035091 phosphatidylinositol binding
GO:0042802 identical protein binding
GO:0046872 metal ion binding
GO:0051219 phosphoprotein binding
GO:0097603 temperature-gated ion channel activity
Biological Process
GO:0000122 negative regulation of transcription by RNA polymerase II
GO:0001659 temperature homeostasis
GO:0001660 fever generation
GO:0001774 microglial cell activation
GO:0002024 diet induced thermogenesis
GO:0002790 peptide secretion
GO:0003085 negative regulation of systemic arterial blood pressure
GO:0006629 lipid metabolic process
GO:0006811 monoatomic ion transport
GO:0006816 calcium ion transport
GO:0007204 positive regulation of cytosolic calcium ion concentration
GO:0009268 response to pH
GO:0009408 response to heat
GO:0010459 negative regulation of heart rate
GO:0010917 negative regulation of mitochondrial membrane potential
GO:0014047 glutamate secretion
GO:0014832 urinary bladder smooth muscle contraction
GO:0019233 sensory perception of pain
GO:0019722 calcium-mediated signaling
GO:0034220 monoatomic ion transmembrane transport
GO:0034605 cellular response to heat
GO:0043065 positive regulation of apoptotic process
GO:0043434 response to peptide hormone
GO:0045429 positive regulation of nitric oxide biosynthetic process
GO:0048265 response to pain
GO:0048266 behavioral response to pain
GO:0050909 sensory perception of taste
GO:0050954 sensory perception of mechanical stimulus
GO:0050955 thermoception
GO:0050960 detection of temperature stimulus involved in thermoception
GO:0050965 detection of temperature stimulus involved in sensory perception of pain
GO:0050968 detection of chemical stimulus involved in sensory perception of pain
GO:0051289 protein homotetramerization
GO:0055085 transmembrane transport
GO:0060079 excitatory postsynaptic potential
GO:0060083 smooth muscle contraction involved in micturition
GO:0070588 calcium ion transmembrane transport
GO:0071312 cellular response to alkaloid
GO:0071318 cellular response to ATP
GO:0071345 cellular response to cytokine stimulus
GO:0071356 cellular response to tumor necrosis factor
GO:0071363 cellular response to growth factor stimulus
GO:0071468 cellular response to acidic pH
GO:0071502 cellular response to temperature stimulus
GO:0090212 negative regulation of establishment of blood-brain barrier
GO:0098703 calcium ion import across plasma membrane
GO:1901594 response to capsazepine
GO:1990090 cellular response to nerve growth factor stimulus
Cellular Component
GO:0005886 plasma membrane
GO:0009897 external side of plasma membrane
GO:0016020 membrane
GO:0030425 dendrite
GO:0032591 dendritic spine membrane
GO:0042995 cell projection
GO:0043005 neuron projection
GO:0043025 neuronal cell body
GO:0045202 synapse
GO:0045211 postsynaptic membrane
GO:0098982 GABA-ergic synapse

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8u30, PDBe:8u30, PDBj:8u30
PDBsum8u30
PubMed38698206
UniProtO35433|TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 (Gene Name=Trpv1)

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