Structure of PDB 8fca Chain B Binding Site BS01

Receptor Information
>8fca Chain B (length=600) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NRPILFDIVSRGSTADLDGLLPFLLTHKKRLTDEEFREPSTGKTCLPKAL
LNLSNGRNDTIPVLLDIAERTGNMREFINSPFRDIYYRGQTALHIAIERR
CKHYVELLVAQGADVHAQARGRFFQPKDEGGYFYFGELPLSLAACTNQPH
IVNYLTENPHKKADMRRQDSRGNTVLHALVAIADNTRENTKFVTKMYDLL
LLKCARLFPDSNLEAVLNNDGLSPLMMAAKTGKIGIFQHIIRREVTDEDT
RHLSRKFKDWAYGPVYSSLYDLSSLDTCGEEASVLEILVYNSKIENRHEM
LAVEPINELLRDKWRKFGAVSFYINVVSYLCAMVIFTLTAYYQPLEGTPP
YPYRTTVDYLRLAGEVITLFTGVLFFFTNIKDLFMQLLYFIYSVLVIVSA
ALYLAGIEAYLAVMVFALVLGWMNALYFTRGLKLTGTYSIMIQKILFKDL
FRFLLVYLLFMIGYASALVSLLNPDSETFSTFLLDLFKLTIGMGDLEMLS
STKYPVVFIILLVTYIILTFVLLLNMLIALMGETVGQVSKESKHIWKLQW
ATTILDIERSFPVFLRKAFRSGEMVTVGKSSDGTPDRRWCFRVDEVNWSH
Ligand information
Ligand IDXS9
InChIInChI=1S/C40H64O8/c1-7-9-11-13-15-17-19-21-32(42)47-36-28(4)39(46)30(24-29(26-41)25-38(45)31(39)23-27(3)35(38)44)34-37(5,6)40(34,36)48-33(43)22-20-18-16-14-12-10-8-2/h23-24,28,30-31,34,36,41,45-46H,7-22,25-26H2,1-6H3/t28-,30+,31-,34-,36-,38+,39-,40-/m1/s1
InChIKeyDGOSGFYDFDYMCW-OEFRVDPMSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCCCCCCC(=O)O[C@@H]1[C@H]([C@]2([C@@H](C=C(C[C@@]3([C@H]2C=C(C3=O)C)O)CO)[C@H]4C1(C4(C)C)OC(=O)CCCCCCCCC)O)C
OpenEye OEToolkits 2.0.7CCCCCCCCCC(=O)OC1C(C2(C(C=C(CC3(C2C=C(C3=O)C)O)CO)C4C1(C4(C)C)OC(=O)CCCCCCCCC)O)C
CACTVS 3.385CCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@]3(O)[C@H]2C=C(C)C3=O)[C@@H]4C(C)(C)[C@]14OC(=O)CCCCCCCCC
CACTVS 3.385CCCCCCCCCC(=O)O[CH]1[CH](C)[C]2(O)[CH](C=C(CO)C[C]3(O)[CH]2C=C(C)C3=O)[CH]4C(C)(C)[C]14OC(=O)CCCCCCCCC
ACDLabs 12.01CCCCCCCCCC(=O)OC12C(C3C=C(CO)CC4(O)C(=O)C(C)=CC4C3(O)C(C)C1OC(=O)CCCCCCCCC)C2(C)C
FormulaC40 H64 O8
Name(1aR,1bS,4aS,7aS,7bS,8R,9R,9aS)-9a-(decanoyloxy)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl decanoate
ChEMBLCHEMBL118987
DrugBank
ZINCZINC000049877340
PDB chain8fca Chain B Residue 1001 [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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PDB8fca TRPV4-Rho GTPase complex structures reveal mechanisms of gating and disease.
Resolution3.41 Å
Binding residue
(original residue number in PDB)		N474 L523 Y553
Binding residue
(residue number reindexed from 1)		N325 L374 Y389
Annotation score1
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: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: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:8fca, PDBe:8fca, PDBj:8fca
PDBsum8fca
PubMed37353484
UniProtQ9HBA0|TRPV4_HUMAN Transient receptor potential cation channel subfamily V member 4 (Gene Name=TRPV4)

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