Structure of PDB 7rqv Chain D Binding Site BS02

Receptor Information

>7rqv Chain D (length=580) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

RRSIFDAVAQSNCETGKTCLLKAMLNLHNGQNDTIALLLDVARKTQFVNA
SYTDSYYKGQTALHIAIERRNMTLVTLLVENAAANGDFFKKPGFYFGELP
LSLAACTNQLAIVKFLLQNSWQPADISARDSVGNTVLHALVEVADNTVDN
TKFVTSMYNEILILGAKLHPTLKLEEITNRKGLTPLALAASSGKIGVLAY
ILQREIHEPECRHLSRKFTEWAYGPVHSSLYDLSCIDTCEKNSVLEVIAY
SSSETPNRHDMLLVEPLNRLLQDKWDRFVKRIFYFNFFVYCLYMIIFTAA
AYYRPVEGLPPYKLKNTVGDYFRVTGEILSVSGGVYFFFRGIQYFLQRRP
SLKSLFVDSYSEILFFVQSLFMLVSVVLYFSQRKEYVASMVFSLAMGWTN
MLYYTRGFQQMGIYAVMIEKMILRDLCRFMFVYLVFLFGFSTAVVTLIED
GGNSYNSLYSTCLELFKFTIGMGDLEFTENYDFKAVFIILLLAYVILTYI
LLLNMLIALMGETVNKIAQESKNIWKLQRAITILDTEKSFLKCMRKAFRS
GKLLQVGFTPDGKDDYRWCFRVDEVNWTTW

Ligand information

Ligand ID

LBN

InChI

InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m1/s1

InChIKey

WTJKGGKOPKCXLL-VYOBOKEXSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 2.0.7	CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC
OpenEye OEToolkits 2.0.7	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC
CACTVS 3.385	CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC
CACTVS 3.385	CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC
ACDLabs 12.01	C(C(COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCCC=[C@H]CCCCCCCC)=O)OP(OCC[N+](C)(C)C)([O-])=O

Formula

C42 H82 N O8 P

Name

1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine;
(2R)-2-[(9Z)-9-Octadecenoyloxy]-3-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphate

ChEMBL

DrugBank

ZINC

PDB chain

7rqv Chain D Residue 901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

Global view

Local view

Structure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

PDB	7rqv Vanilloid-dependent TRPV1 opening trajectory from cryoEM ensemble analysis.
Resolution	3.45 Å
Binding residue (original residue number in PDB)	N437 L443 F488 E513 F516 Y555
Binding residue (residue number reindexed from 1)	N286 L292 F337 E362 F365 Y404
Annotation score	1

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

View graph for
Molecular Function

View graph for
Biological Process

View graph for
Cellular Component

External links

PDB	RCSB:7rqv, PDBe:7rqv, PDBj:7rqv
PDBsum	7rqv
PubMed	35610228
UniProt	O35433\|TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 (Gene Name=Trpv1)

[Back to BioLiP]