Structure of PDB 6pbe Chain D Binding Site BS02

Receptor Information
>6pbe Chain D (length=604) Species: 9986 (Oryctolagus cuniculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
WEQYRDRVNMLQQERIRDSPLLQAAKENDLRLLKILLLNQSCDFQQRGAV
GETALHVAALYDNLEAATLLMEAAPELAKEPALCEPFVGQTALHIAVMNQ
NLNLVRALLARGASVSARATGAAFRRSPHNLIYYGEHPLSFAACVGSEEI
VRLLIEHGADIRAQDSLGNTVLHILILQPNKTFACQMYNLLLSYDQSLEL
VPNHQGLTPFKLAGVEGNTVMFQHLMQKRKHVQWTCGPLTSTLYDLTEID
SWGEELSFLELVVSSKKREARQILEQTPVKELVSFKWKKYGRPYFCVLAS
LYILYMICFTTCCIYRPLKLRDDNRTDPRDITILQQKLLQEAYVTHQDNI
RLVGELVTVTGAVIILLLEIPDIFRVGASRYFGQTILGGPFHVIIITYAS
LVLLTMVMRLTNMNGEVVPLSFALVLGWCSVMYFARGFQMLGPFTIMIQK
MIFGDLMRFCWLMAVVILGFASAFHITFQTEDPNNLGEFSDYPTALFSTF
ELFLTIIDGPANYSVDLPFMYCITYAAFAIIATLLMLNLFIAMMGDTHWR
VAQERDELWRAQVVATTVMLERKMPRFLWPRSGICGYEYGLGDRWFLRVE
NHHD
Ligand information
Ligand IDO6S
InChIInChI=1S/C24H19N3O5S/c28-20-13-31-18-9-5-4-8-17(18)27(20)11-10-21(29)32-12-19-25-23(30)22-16(14-33-24(22)26-19)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,25,26,30)
InChIKeyYOFCRYWWKQMPEW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385O=C(CCN1C(=O)COc2ccccc12)OCC3=Nc4scc(c5ccccc5)c4C(=O)N3
ACDLabs 12.01C(CCN2C(COc1ccccc12)=O)(=O)OCC5=Nc3c(c(cs3)c4ccccc4)C(N5)=O
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2csc3c2C(=O)NC(=N3)COC(=O)CCN4c5ccccc5OCC4=O
FormulaC24 H19 N3 O5 S
Name(4-oxo-5-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)methyl 3-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoate
ChEMBL
DrugBank
ZINCZINC000017988990
PDB chain6pbe Chain D Residue 1002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6pbe Structure-based characterization of novel TRPV5 inhibitors.
Resolution3.78 Å
Binding residue
(original residue number in PDB)		M491 C494 W495
Binding residue
(residue number reindexed from 1)		M457 C460 W461
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6pbe, PDBe:6pbe, PDBj:6pbe
PDBsum6pbe
PubMed31647410
UniProtQ9XSM3|TRPV5_RABIT Transient receptor potential cation channel subfamily V member 5 (Gene Name=Trpv5)

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