Structure of PDB 8t1b Chain D Binding Site BS11

Receptor Information
>8t1b Chain D (length=644) 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
EMVTVGKSSDGTPDRRWCFRVDEVNWSHWNQNLGIINEDPGKNE
Ligand information
Ligand IDYJ0
InChIInChI=1S/C56H92O25/c1-24-7-13-56(74-21-24)25(2)37-32(81-56)16-31-29-6-5-27-15-28(8-11-54(27,3)30(29)9-12-55(31,37)4)71-14-10-26(22-72-50-46(69)42(65)48(35(19-59)77-50)79-52-44(67)40(63)38(61)33(17-57)75-52)23-73-51-47(70)43(66)49(36(20-60)78-51)80-53-45(68)41(64)39(62)34(18-58)76-53/h5,24-26,28-53,57-70H,6-23H2,1-4H3/t24-,25+,26-,28+,29-,30+,31+,32+,33?,34-,35-,36-,37+,38?,39-,40?,41+,42-,43-,44?,45-,46-,47-,48-,49-,50-,51-,52?,53-,54+,55+,56-/m1/s1
InChIKeyLKBFXDNKNZXHHW-YZLOFLECSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[CH]1CC[C]2(OC1)O[CH]3C[CH]4[CH]5CC=C6C[CH](CC[C]6(C)[CH]5CC[C]4(C)[CH]3[CH]2C)OCC[CH](CO[CH]7O[CH](CO)[CH](O[CH]8O[CH](CO)[CH](O)[CH](O)[CH]8O)[CH](O)[CH]7O)CO[CH]9O[CH](CO)[CH](OC%10OC(CO)C(O)C(O)C%10O)[CH](O)[CH]9O
ACDLabs 12.01OC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(OC1CO)OCC(COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)CCOC1CC2=CCC3C(CCC4(C)C5C(CC34)OC3(CCC(C)CO3)C5C)C2(C)CC1
OpenEye OEToolkits 2.0.7CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OCCC(COC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)O)O)O)O)COC9C(C(C(C(O9)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O)C)C)C)OC1
OpenEye OEToolkits 2.0.7C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)OCCC(CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O)C)C)C)OC1
CACTVS 3.385C[C@@H]1CC[C@@]2(OC1)O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@H](CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)OCC[C@@H](CO[C@@H]7O[C@H](CO)[C@@H](O[C@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)CO[C@@H]9O[C@H](CO)[C@@H](OC%10OC(CO)C(O)C(O)C%10O)[C@H](O)[C@H]9O
FormulaC56 H92 O25
Name(2R)-2-{[(4-O-hexopyranosyl-beta-D-glucopyranosyl)oxy]methyl}-4-{[(25R)-5beta,14beta,17beta-spirostan-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside
ChEMBL
DrugBank
ZINC
PDB chain8t1b Chain D Residue 1212 [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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PDB8t1b Structure of human TRPV4 in complex with GTPase RhoA.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		L622 F666 S667
Binding residue
(residue number reindexed from 1)		L475 F507 S508
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: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:8t1b, PDBe:8t1b, PDBj:8t1b
PDBsum8t1b
PubMed37353478
UniProtQ9HBA0|TRPV4_HUMAN Transient receptor potential cation channel subfamily V member 4 (Gene Name=TRPV4)

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