Structure of PDB 9b6h Chain A Binding Site BS03

Receptor Information

>9b6h Chain A (length=934) 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
TFVWKLVANFRRSTRHPLQALFIWAILQNKKELSKVIWEQTKGCTLAALG
ASKLLKTLAKVKNDINAAGESEELANEYETRAVELFTECYSNDEDLAEQL
LVYSCEAWGGSNCLELAVEATDQHFIAQPGVQNFLSKQWYGEISRDTKNW
KIILCLFIIPLVGCGLVSFRKKKLLWYYVAFFTSPFVVFSWNVVFYIAFL
LLFAYVLLMDFHSVPHTPELILYALVFVLFCDEVRQWYMNGVNYFTDLWN
VMDTLGLFYFIAGIVFRLHSSNKSSLYSGRVIFCLDYIIFTLRLIHIFTV
SRNLGPKIIMLQRMLIDVFFFLFLFAVWMVAFGVARQGILRQNEQRWRWI
FRSVIYEPYLAMFGQVPSDVDSTTYDFSHCTFSGNESKPLCVELDEHNLP
RFPEWITIPLVCIYMLSTNILLVNLLVAMFGYTVGIVQENNDQVWKFQRY
FLVQEYCNRLNIPFPFVVFAYFYMVVKKDNETLAWEGVMKENYLVKINTK
ANDNSEEMRHRFRQLDSKLNDLKSLLKEIANNIK

Ligand information

Ligand ID

ULO

InChI

InChI=1S/C15H33OP/c1-6-7-8-9-10-11-12-13-17(16,14(2)3)15(4)5/h14-15H,6-13H2,1-5H3

InChIKey

DHOTYMJGZIUWRT-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.385	CCCCCCCCC[P](=O)(C(C)C)C(C)C
OpenEye OEToolkits 2.0.7	CCCCCCCCCP(=O)(C(C)C)C(C)C
ACDLabs 12.01	O=P(CCCCCCCCC)(C(C)C)C(C)C

Formula

C15 H33 O P

Name

nonyl(oxo)di(propan-2-yl)-lambda~5~-phosphane

ChEMBL

DrugBank

ZINC

PDB chain

9b6h Chain A Residue 1301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	9b6h Mechanisms of sensory adaptation and inhibition of the cold and menthol receptor TRPM8.
Resolution	2.76 Å
Binding residue (original residue number in PDB)	N741 Y745 M801 D802 F839 R842 I846 Y1005 F1013
Binding residue (residue number reindexed from 1)	N592 Y596 M652 D653 F690 R693 I697 Y856 F864
Annotation score	1

External links

PDB	RCSB:9b6h, PDBe:9b6h, PDBj:9b6h
PDBsum	9b6h
PubMed	39093967
UniProt	Q8R4D5\|TRPM8_MOUSE Transient receptor potential cation channel subfamily M member 8 (Gene Name=Trpm8)

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