Structure of PDB 9b6f Chain D Binding Site BS03

Receptor Information
>9b6f Chain D (length=929) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLVNFIQANFKDAFGDIQFGKYLRLSCDTDSETLYELLTQHWHLKTPNLV
ISVTGGAKNFALKPRMRKIFSRLIYIAQSKGAWILTGGTHYGLMKYIGEV
VRDNTISENIVAIGIAAWGMVSNRDTLFSAQYIMLYILDNNHTHLLLVDN
GCHGHPTVEAKLRNQLEKYISERTSQDSNYGGKIPIVCFAQGGGRETLKA
INTSVKSKIPCVVVEGSGQIADVIASLVTSSMVKEKLVRFLPRTVSRLPE
EEIESWIKWLKEILESSHLLTVIKMEEAGDEIVSNAISYALYKAFSTNEQ
DKDNWNGQLKLLLEWNQLDLASDEIFTNDRRWESADLQEVMFTALIKDRP
KFVRLFLENGLNLQKFLTNEVLTELFSTHFSTLVYRNLQIAKNSYNDALL
TFVWKLVANFRRSRHPLQALFIWAILQNKKELSKVIWEQTKGCTLAALGA
SKLLKTLAKVKNDINAAGESEELANEYETRAVELFTECYSNDEDLAEQLL
VYSCEAWGGSNCLELAVEATDQHFIAQPGVQNFLSKQWYGEISRDTKNWK
IILCLFIIPLVGCGLVSFRKLWYYVAFFTSPFVVFSWNVVFYIAFLLLFA
YVLLMDFHSVPHTPELILYALVFVLFCDEVRQWYMNGVNYFTDLWNVMDT
LGLFYFIAGIVFRLHSSNKSSLYSGRVIFCLDYIIFTLRLIHIFTVSRNL
GPKIIMLQRMLIDVFFFLFLFAVWMVAFGVARQGILRQNEQRWRWIFRSV
IYEPYLAMFGQVPSDVDSTTYDFSHCTFSGNESKPLCVELDEHNLPRFPE
WITIPLVCIYMLSTNILLVNLLVAMFGYTVGIVQENNDQVWKFQRYFLVQ
EYCNRLNIPFPFVVFAYFYMVVKKNETLAWEGVMKENYLVKINTKANDNS
EEMRHRFRQLDSKLNDLKSLLKEIANNIK
Ligand information
Ligand IDY01
InChIInChI=1S/C31H50O4/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(35-29(34)14-13-28(32)33)15-17-30(22,4)27(24)16-18-31(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3,(H,32,33)/t21-,23+,24+,25-,26+,27+,30+,31-/m1/s1
InChIKeyWLNARFZDISHUGS-MIXBDBMTSA-N
SMILES
SoftwareSMILES
CACTVS 3.352CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCC(O)=O
OpenEye OEToolkits 1.6.1CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C
OpenEye OEToolkits 1.6.1CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)O)C)C
CACTVS 3.352CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](CC[C]4(C)[CH]3CC[C]12C)OC(=O)CCC(O)=O
FormulaC31 H50 O4
NameCHOLESTEROL HEMISUCCINATE
ChEMBL
DrugBank
ZINCZINC000058638837
PDB chain9b6f Chain D Residue 1204 [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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PDB9b6f Mechanisms of sensory adaptation and inhibition of the cold and menthol receptor TRPM8.
Resolution3.42 Å
Binding residue
(original residue number in PDB)		W682 I696 F735 S850 R851
Binding residue
(residue number reindexed from 1)		W538 I552 F582 S697 R698
Annotation score1
External links
PDB RCSB:9b6f, PDBe:9b6f, PDBj:9b6f
PDBsum9b6f
PubMed39093967
UniProtQ8R4D5|TRPM8_MOUSE Transient receptor potential cation channel subfamily M member 8 (Gene Name=Trpm8)

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