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Structure of PDB 6dmu Chain D Binding Site BS01

Receptor Information
>6dmu Chain D (length=607) Species: 9986 (Oryctolagus cuniculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
WEQYRDRVNMLQQERIRDSPLLQAAKENDLRLLKILLLNQSCDFQQRGAV
GETALHVAALYDNLEAATLLMEAAPELAKEPALCEPFVGQTALHIAVMNQ
NLNLVRALLARGASVSARATGAAFRRSPHNLIYYGEHPLSFAACVGSEEI
VRLLIEHGADIRAQDSLGNTVLHILILQPNKTFACQMYNLLLSYDEHQSL
ELVPNHQGLTPFKLAGVEGNTVMFQHLMQKRKHVQWTCGPLTSTLYDLTE
IDSWGEELSFLELVVSSKKREARQILEQTPVKELVSFKWKKYGRPYFCVL
ASLYILYMICFTTCCIYRPLKLRDDNRTDPRDITILQQKLLQEAYVTHQD
NIRLVGELVTVTGAVIILLLEIPDIFRVGASRYFGQTILGGPFHVIIITY
ASLVLLTMVMRLTNMNGEVVPLSFALVLGWCSVMYFARGFQMLGPFTIMI
QKMIFGDLMRFCWLMAVVILGFASAFHITFQTEDPNNLGEFSDYPTALFS
TFELFLTIIDGPANYSVDLPFMYCITYAAFAIIATLLMLNLFIAMMGDTH
WRVAQERDELWRAQVVATTVMLERKMPRFLWPRSGICGYEYGLGDRWFLR
VENHHDQ
Ligand information
Ligand IDPIO
InChIInChI=1S/C25H49O19P3/c1-3-5-7-9-11-13-18(26)39-15-17(41-19(27)14-12-10-8-6-4-2)16-40-47(37,38)44-23-20(28)21(29)24(42-45(31,32)33)25(22(23)30)43-46(34,35)36/h17,20-25,28-30H,3-16H2,1-2H3,(H,37,38)(H2,31,32,33)(H2,34,35,36)/t17-,20-,21+,22+,23-,24-,25-/m1/s1
InChIKeyXLNCEHRXXWQMPK-MJUMVPIBSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCCC(=O)OC[C@H](CO[P](O)(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@H]1O)OC(=O)CCCCCCC
CACTVS 3.385CCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O)OC(=O)CCCCCCC
OpenEye OEToolkits 1.9.2CCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC
OpenEye OEToolkits 1.9.2CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC
ACDLabs 12.01O=C(OCC(OC(=O)CCCCCCC)COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)CCCCCCC
FormulaC25 H49 O19 P3
Name[(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate;
dioctanoyl l-alpha-phosphatidyl-d-myo-inositol 4,5-diphosphate
ChEMBL
DrugBank
ZINCZINC000097972490
PDB chain6dmu Chain D 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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PDB6dmu Structural insights on TRPV5 gating by endogenous modulators.
Resolution4.0 Å
Binding residue
(original residue number in PDB)		R302 F416 Q418
Binding residue
(residue number reindexed from 1)		R270 F384 Q386
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005216 monoatomic ion channel activity
GO:0005261 monoatomic cation channel activity
GO:0005262 calcium channel activity
GO:0005516 calmodulin binding
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0006811 monoatomic ion transport
GO:0006816 calcium ion transport
GO:0035809 regulation of urine volume
GO:0051289 protein homotetramerization
GO:0055074 calcium ion homeostasis
GO:0055085 transmembrane transport
GO:0070588 calcium ion transmembrane transport
GO:0098703 calcium ion import across plasma membrane
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0016324 apical plasma membrane

View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6dmu, PDBe:6dmu, PDBj:6dmu
PDBsum6dmu
PubMed30305626
UniProtQ9XSM3|TRPV5_RABIT Transient receptor potential cation channel subfamily V member 5 (Gene Name=Trpv5)

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