Structure of PDB 8uc7 Chain A Binding Site BS01

Receptor Information
>8uc7 Chain A (length=484) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQRQFTSMLQPGVNKFSLRMFGSQKAVEKEQERVKTAGFWIIHPYSDFRF
YWDLIMLIMMVGNLVIIPVGITFFTEQTTTPWIIFNVASDTVFLLDLIMN
FRTGTVNEDSSEIILDPKVIKMNYLKSWFVVDFISSIPVDYIFLIVEKGR
ALRIVRFTKILSLLRLLRLSRLIRYIHQWEEIFHMTYDLASAVVRIFNLI
GMMLLLCHWDGCLQFLVPLLQDFPPDCWVSLNEMVNDSWGKQYSYALFKA
MSHMLCIGYGAQAPVSMSDLWITMLSMIVGATCYAMFVGHATALIQSLDS
SRRQYQEKYKQVEQYMSFHKLPADMRQKIHDYYEHRYQGKIFDEENILNE
LNDPLREEIVNFNCRKLVATMPLFANADPNFVTAMLSKLRFEVFQPGDYI
IREGAVGKKMYFIQHGVAGVITKSSKEMKLTDGSYFGEICLLTKGRRTAS
VRADTYCRLYSLSVDNFNEVLEEYPMMRRAFETV
Ligand information
Ligand IDPFL
InChIInChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3
InChIKeyOLBCVFGFOZPWHH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04Oc1c(cccc1C(C)C)C(C)C
OpenEye OEToolkits 1.5.0CC(C)c1cccc(c1O)C(C)C
CACTVS 3.341CC(C)c1cccc(C(C)C)c1O
FormulaC12 H18 O
Name2,6-BIS(1-METHYLETHYL)PHENOL;
2,6-DIISOPROPYLPHENOL;
PROPOFOL
ChEMBLCHEMBL526
DrugBankDB00818
ZINCZINC000000968303
PDB chain8uc7 Chain A Residue 701 [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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PDB8uc7 Propofol rescues voltage-dependent gating of HCN1 channel epilepsy mutants
Resolution2.9 Å
Binding residue
(original residue number in PDB)		M305 L306 M356
Binding residue
(residue number reindexed from 1)		M203 L204 M254
Annotation score1
External links
PDB RCSB:8uc7, PDBe:8uc7, PDBj:8uc7
PDBsum8uc7
PubMed39085604
UniProtO60741|HCN1_HUMAN Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1 (Gene Name=HCN1)

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