Structure of PDB 8t1e Chain B Binding Site BS06

Receptor Information

>8t1e Chain B (length=629) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

VFNRPILFDIVSRGSTADLDGLLPFLLTHKKRLTDEEFREPSTGKTCLPK
ALLNLSNGRNDTIPVLLDIAERTGNMREFINSPFRDIYYRGQTALHIAIE
RRCKHYVELLVAQGADVHAQARGRFFQPKDEGGYFYFGELPLSLAACTNQ
PHIVNYLTENPHKKADMRRQDSRGNTVLHALVAIADNTRENTKFVTKMYD
LLLLKCARLFPDSNLEAVLNNDGLSPLMMAAKTGKIGIFQHIIRREVTDE
DTRHLSRKFKDWAYGPVYSSLYDLSSLDTCGEEASVLEILVYNSKIENRH
EMLAVEPINELLRDKWRKFGAVSFYINVVSYLCAMVIFTLTAYYQPLEGT
PPYPYRTTVDYLRLAGEVITLFTGVLFFFTNIKDLFMKKCPGVNSLFIDG
SFQLLYFIYSVLVIVSAALYLAGIEAYLAVMVFALVLGWMNALYFTRGLK
LTGTYSIMIQKILFKDLFRFLLVYLLFMIGYASALVSLLNPCANVPTYPS
CRDSETFSTFLLDLFKLTIGMGDLEMLSSTKYPVVFIILLVTYIILTFVL
LLNMLIALMGETVGQVSKESKHIWKLQWATTILDIERSFPVFLRKAFRSG
EMVTVGKSSDGTPDRRWCFRVDEVNWSHW

Ligand information

Ligand ID

9ZR

InChI

InChI=1S/C46H88NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-26-19-17-15-13-11-9-7-2/h17,19-21,44H,6-16,18,22-43H2,1-5H3/p+1/b19-17-,21-20-/t44-/m1/s1

InChIKey

SEGJIRVRAYUSKL-YXDXVYMNSA-O

SMILES

Software	SMILES
OpenEye OEToolkits 2.0.7	CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCC
CACTVS 3.385	CCCCCCCCC=CCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCC
OpenEye OEToolkits 2.0.7	CCCCCCCCC=CCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCC
CACTVS 3.385	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC
ACDLabs 12.01	C[N+](C)(C)CCOP(O)(=O)OCC(COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCC

Formula

C46 H89 N O8 P

Name

[(2~{R})-2-[(~{Z})-hexadec-9-enoyl]oxy-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propyl] (~{Z})-docos-13-enoate

PDB chain

8t1e Chain B Residue 1206 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	8t1e Structure of human TRPV4 in complex with GTPase RhoA.
Resolution	2.77 Å
Binding residue (original residue number in PDB)	E514 A564 Y567 M578
Binding residue (residue number reindexed from 1)	E367 A417 Y420 M431
Annotation score	1

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Molecular Function
GO:0003779	actin binding
GO:0005034	osmosensor activity
GO:0005080	protein kinase C binding
GO:0005216	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:0008017	microtubule binding
GO:0008289	lipid binding
GO:0015275	stretch-activated, monoatomic cation-selective, calcium channel activity
GO:0019901	protein kinase binding
GO:0042169	SH2 domain binding
GO:0042802	identical protein binding
GO:0043014	alpha-tubulin binding
GO:0046872	metal ion binding
GO:0048487	beta-tubulin binding
GO:0051015	actin filament binding

	Biological Process
GO:0000122	negative regulation of transcription by RNA polymerase II
GO:0001666	response to hypoxia
GO:0002024	diet induced thermogenesis
GO:0006091	generation of precursor metabolites and energy
GO:0006811	monoatomic ion transport
GO:0006816	calcium ion transport
GO:0006874	intracellular calcium ion homeostasis
GO:0006884	cell volume homeostasis
GO:0006970	response to osmotic stress
GO:0006971	hypotonic response
GO:0007015	actin filament organization
GO:0007043	cell-cell junction assembly
GO:0007204	positive regulation of cytosolic calcium ion concentration
GO:0007231	osmosensory signaling pathway
GO:0008218	bioluminescence
GO:0009612	response to mechanical stimulus
GO:0010628	positive regulation of gene expression
GO:0010759	positive regulation of macrophage chemotaxis
GO:0010977	negative regulation of neuron projection development
GO:0030036	actin cytoskeleton organization
GO:0030103	vasopressin secretion
GO:0031117	positive regulation of microtubule depolymerization
GO:0032755	positive regulation of interleukin-6 production
GO:0032868	response to insulin
GO:0034605	cellular response to heat
GO:0042538	hyperosmotic salinity response
GO:0042593	glucose homeostasis
GO:0043117	positive regulation of vascular permeability
GO:0043622	cortical microtubule organization
GO:0045989	positive regulation of striated muscle contraction
GO:0046330	positive regulation of JNK cascade
GO:0046785	microtubule polymerization
GO:0047484	regulation of response to osmotic stress
GO:0050729	positive regulation of inflammatory response
GO:0050891	multicellular organismal-level water homeostasis
GO:0055085	transmembrane transport
GO:0060351	cartilage development involved in endochondral bone morphogenesis
GO:0070374	positive regulation of ERK1 and ERK2 cascade
GO:0070509	calcium ion import
GO:0070588	calcium ion transmembrane transport
GO:0071470	cellular response to osmotic stress
GO:0071476	cellular hypotonic response
GO:0071477	cellular hypotonic salinity response
GO:0071639	positive regulation of monocyte chemotactic protein-1 production
GO:0071642	positive regulation of macrophage inflammatory protein 1 alpha production
GO:0071651	positive regulation of chemokine (C-C motif) ligand 5 production
GO:0097009	energy homeostasis
GO:0097497	blood vessel endothelial cell delamination
GO:1902656	calcium ion import into cytosol
GO:1903444	negative regulation of brown fat cell differentiation
GO:1903715	regulation of aerobic respiration
GO:2000340	positive regulation of chemokine (C-X-C motif) ligand 1 production

	Cellular Component
GO:0005783	endoplasmic reticulum
GO:0005881	cytoplasmic microtubule
GO:0005886	plasma membrane
GO:0005912	adherens junction
GO:0005925	focal adhesion
GO:0005929	cilium
GO:0009986	cell surface
GO:0016020	membrane
GO:0016324	apical plasma membrane
GO:0030027	lamellipodium
GO:0030175	filopodium
GO:0030426	growth cone
GO:0030864	cortical actin cytoskeleton
GO:0032587	ruffle membrane
GO:0070161	anchoring junction

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Molecular Function

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Biological Process

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Cellular Component

External links

PDB	RCSB:8t1e, PDBe:8t1e, PDBj:8t1e
PDBsum	8t1e
PubMed	37353478
UniProt	Q9HBA0\|TRPV4_HUMAN Transient receptor potential cation channel subfamily V member 4 (Gene Name=TRPV4)

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