Structure of PDB 7wre Chain A Binding Site BS02

Receptor Information
>7wre Chain A (length=930) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AFGDIQFGKYLRLSCDTDSETLYELLTQHWHLKTPNLVISVTGGAKNFAL
KPRMRKIFSRLIYIAQSKGAWILTGGTHYGLMKYIGEVVRDNTISRNSEE
NIVAIGIAAWGMVSNRDTLIDEGHFSAYILDNNHTHLLLVDNGCHGHPTV
EAKLRNQLEKYISERTSQDSNYGGKIPIVCFAQGGGRETLKAINTSVKSK
IPCVVVEGSGQIADVIASLVTSSMVKEKLVRFLPRTVSRLPEEEIESWIK
WLKEILESSHLLTVIKMEEAGDEIVSNAISYALYKAFSTNEQDKDNWNGQ
LKLLLEWNQLDLASDEIFTNDRRWESADLQEVMFTALIKDRPKFVRLFLE
NGLNLQKFLTNEVLTELFSTHFSTLVYRNLQIAKNSYNDALLTFVWKLVA
NFRRRHPLQALFIWAILQNKKELSKVIWEQTKGCTLAALGASKLLKTLAK
VKNDINAAGESEELANEYETRAVELFTECYSNDEDLAEQLLVYSCEAWGG
SNCLELAVEATDQHFIAQPGVQNFLSKQWYGEISRDTKNWKIILCLFIIP
LVGCGLVSFRKKLLWYYVAFFTSPFVVFSWNVVFYIAFLLLFAYVLLMDF
HSVPHTPELILYALVFVLFCDEVRQWYMNGVNYFTDLWNVMDTLGLFYFI
AGIVFRLHSSNKSSLYSGRVIFCLDYIIFTLRLIHIFTVSRNLGPKIIML
QRMLIDVFFFLFLFAVWMVAFGVARQGILRQNEQRWRWIFRSVIYEPYLA
MFGQVPSDVDSTTYDFSHCTFSGNESKPLCVELDEHNLPRFPEWITIPLV
CIYMLSTNILLVNLLVAMFGYTVGIVQENNDQVWKFQRYFLVQEYCNRLN
IPFPFVVFAYFYMVVKKCFKFRNEDNETLAWEGVMKENYLVKINTKANDN
SEEMRHRFRQLDSKLNDLKSLLKEIANNIK
Ligand information
Ligand IDKX7
InChIInChI=1S/C16H13N3O4/c20-15-7-2-1-6-14(15)18-9-8-13(17-16(18)21)11-4-3-5-12(10-11)19(22)23/h1-8,10,20H,9H2,(H,17,21)
InChIKeyRCEFMOGVOYEGJN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(c(c1)N2CC=C(NC2=O)c3cccc(c3)[N+](=O)[O-])O
CACTVS 3.385Oc1ccccc1N2CC=C(NC2=O)c3cccc(c3)[N+]([O-])=O
ACDLabs 12.01C1C=C(NC(N1c2ccccc2O)=O)c3cc(ccc3)[N+]([O-])=O
FormulaC16 H13 N3 O4
NameIcilin;
3-(2-hydroxyphenyl)-6-(3-nitrophenyl)-3,4-dihydropyrimidin-2(1H)-one
ChEMBLCHEMBL258405
DrugBank
ZINCZINC000000620751
PDB chain7wre Chain A Residue 1202 [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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PDB7wre Structures of a mammalian TRPM8 in closed state.
Resolution2.52 Å
Binding residue
(original residue number in PDB)		N741 L778 D802 L806 F839 R842 I846
Binding residue
(residue number reindexed from 1)		N581 L618 D642 L646 F679 R682 I686
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:0005515 protein binding
GO:0042802 identical protein binding
Biological Process
GO:0006811 monoatomic ion transport
GO:0006816 calcium ion transport
GO:0006874 intracellular calcium ion homeostasis
GO:0009266 response to temperature stimulus
GO:0009409 response to cold
GO:0034220 monoatomic ion transmembrane transport
GO:0050955 thermoception
GO:0055085 transmembrane transport
GO:0070588 calcium ion transmembrane transport
GO:0120162 positive regulation of cold-induced thermogenesis
Cellular Component
GO:0005886 plasma membrane
GO:0009897 external side of plasma membrane
GO:0016020 membrane
GO:0044853 plasma membrane raft
GO:0045121 membrane raft

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7wre, PDBe:7wre, PDBj:7wre
PDBsum7wre
PubMed35662242
UniProtQ8R4D5|TRPM8_MOUSE Transient receptor potential cation channel subfamily M member 8 (Gene Name=Trpm8)

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