Structure of PDB 9bc6 Chain A Binding Site BS01

Receptor Information

>9bc6 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
GMLLLLCHWDGCLQFLVPLLQDFPPDCWVSLNEMVNDSWGKQYSYALFKA
MSHMLCIGYGAQAPVSMSDLWITMLSMIVGATCYAMFVGHATALIQSLDS
SRRQYQEKYKQVEQYMSFHKLPADMRQKIHDYYEHRYQGKIFDEENILNE
LNDPLREEIVNFNCRKLVATMPLFANADPNFVTAMLSKLRFEVFQPGDYI
IREGAVGKKMYFIQHGVAGVITKSSKEMKLTDGSYFGEICLLTKGRRTAS
VRADTYCRLYSLSVDNFNEVLEEYPMMRRAFETV

Ligand information

Ligand ID

PFL

InChI

InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3

InChIKey

OLBCVFGFOZPWHH-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04	Oc1c(cccc1C(C)C)C(C)C
OpenEye OEToolkits 1.5.0	CC(C)c1cccc(c1O)C(C)C
CACTVS 3.341	CC(C)c1cccc(C(C)C)c1O

Formula

C12 H18 O

Name

2,6-BIS(1-METHYLETHYL)PHENOL;
2,6-DIISOPROPYLPHENOL;
PROPOFOL

PDB chain

9bc6 Chain B Residue 701 [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	9bc6 Propofol rescues voltage-dependent gating of HCN1 channel epilepsy mutants
Resolution	2.5 Å
Binding residue (original residue number in PDB)	L305 C309 M356 Y386 F389
Binding residue (residue number reindexed from 1)	L203 C207 M254 Y284 F287
Annotation score	1

External links

PDB	RCSB:9bc6, PDBe:9bc6, PDBj:9bc6
PDBsum	9bc6
PubMed	39085604
UniProt	O60741\|HCN1_HUMAN Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1 (Gene Name=HCN1)

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