Structure of PDB 8gf8 Chain D Binding Site BS01

Receptor Information
>8gf8 Chain D (length=630) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RRSIFEAVAQNNCQDLESLLLFLQKSKKHLTDNEFKDPETGKTCLLKAML
NLHDGQNTTIPLLLEIARQTDSLKELVNASYTDSYYKGQTALHIAIERRN
MALVTLLVENGADVQAAAHGDFFKKTKGRPGFYFGELPLSLAACTNQLGI
VKFLLQNSWQTADISARDSVGNTVLHALVEVADNTADNTKFVTSMYNEIL
MLGAKLHPTLKLEELTNKKGMTPLALAAGTGKIGVLAYILQREIQEPECR
HLSRKFTEWAYGPVHSSLYDLSCIDTCEKNSVLEVIAYSSSETPNRHDML
LVEPLNRLLQDKWDRFVKRIFYFNFLVYCLYMIIFTMAAYYRPVDGLPPF
KMEKTGDYFRVTGEILSVLGGVYFFFRGIQYFLQRRPSMKTLFVDSYSEM
LFFLQSLFMLATVVLYFSHLKEYVASMVFSLALGWTNMLYYTRGFQQMGI
YAVMIEKMILRDLCRFMFVYIVFLFGFSTAVVTLIEDSYNSLYSTCLELF
KFTIGMGDLEFTENYDFKAVFIILLLAYVILTYILLLNMLIALMGETVNK
IAQESKNIWKLQRAITILDTEKSFLKCMRKAFRSGKLLQVGYTPDGKDDY
RWCFRVDEVNWTTWNTNVGIINEDPGNCEG
Ligand information
Ligand ID8IJ
InChIInChI=1S/C45H87O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37,40-45,48-52H,3-36H2,1-2H3,(H,53,54)/t37-,40-,41-,42+,43-,44-,45-/m1/s1
InChIKeyFQZQXPXKJFOAGE-KQKURGKFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC
CACTVS 3.385CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O)OC(=O)CCCCCCCCCCCCCCCCC
CACTVS 3.385CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCCCC
ACDLabs 12.01OP(=O)(OC1C(O)C(O)C(O)C(O)C1O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC
FormulaC45 H87 O13 P
Name(2R)-3-{[(R)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctadecanoate
ChEMBL
DrugBank
ZINCZINC000150345059
PDB chain8gf8 Chain D Residue 1202 [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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PDB8gf8 Human TRPV1 structure and inhibition by the analgesic SB-366791.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		H411 D509 Y511 S512 M514 L515 L518 F543 L547 T550 L553 Y554 R557 E570 I573 I697 Q701
Binding residue
(residue number reindexed from 1)		H297 D395 Y397 S398 M400 L401 L404 F429 L433 T436 L439 Y440 R443 E456 I459 I558 Q562
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:0005245 voltage-gated calcium 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: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:0006091 generation of precursor metabolites and energy
GO:0006629 lipid metabolic process
GO:0006811 monoatomic ion transport
GO:0006816 calcium ion transport
GO:0007166 cell surface receptor signaling pathway
GO:0007204 positive regulation of cytosolic calcium ion concentration
GO:0007635 chemosensory behavior
GO:0008218 bioluminescence
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:8gf8, PDBe:8gf8, PDBj:8gf8
PDBsum8gf8
PubMed37117175
UniProtQ8NER1|TRPV1_HUMAN Transient receptor potential cation channel subfamily V member 1 (Gene Name=TRPV1)

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