Structure of PDB 8inz Chain C Binding Site BS01

Receptor Information
>8inz Chain C (length=465) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GTLLQPTVNKFSLRVFGSHKAVEIEQERVKSAGAWIIHPYSDFRFYWDLI
MLLLMVGNLIVLPVGITFFKEENSPPWIVFNVLSDTFFLLDLVLNFRTGI
VVEILLAPRAIRTRYLRTWFLVDLISSIPVDYIFLVVEVRFTKILSLLRL
LRLSRLIRYIHQWEEIFHMTYDLASAVVRIFNLIGMMLLLCHWDGCLQFL
VPMLQDFPPDCWVSINHMVNHSWGRQYSHALFKAMSHMLCIGYGQQAPVG
MPDVWLTMLSMIVGATCYAMFIGHATALIQSLDSSRRQYQEKYKQVEQYM
SFHKLPADTRQRIHEYYEHRYQGKMFDEESILGELSEPLREEIINFTCRG
LVAHMPLFAHADPSFVTAVLTKLRFEVFQPGDLVVREGSVGRKMYFIQHG
LLSVLRLTDGSYFGEICLLTRGRRTASVRADTYCRLYSLSVDHFNAVLEE
FPMMRRAFETVAMDR
Ligand information
Ligand IDVX9
InChIInChI=1S/C31H56O4/c1-7-23(4)28(24(5)11-8-10-22(2)3)13-9-12-25-14-15-26-20-27(18-19-31(26,6)21-25)35-30(34)17-16-29(32)33/h22-28H,7-21H2,1-6H3,(H,32,33)/t23-,24+,25-,26-,27-,28-,31+/m0/s1
InChIKeyCAWMEKGHGQMGSF-ZGQNKYPXSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCC(C)C(CCCC1CCC2CC(CCC2(C1)C)OC(=O)CCC(=O)O)C(C)CCCC(C)C
CACTVS 3.385CC[C@H](C)[C@H](CCC[C@H]1CC[C@H]2C[C@H](CC[C@]2(C)C1)OC(=O)CCC(O)=O)[C@H](C)CCCC(C)C
OpenEye OEToolkits 2.0.7CC[C@H](C)[C@H](CCC[C@H]1CC[C@H]2C[C@H](CC[C@@]2(C1)C)OC(=O)CCC(=O)O)[C@H](C)CCCC(C)C
CACTVS 3.385CC[CH](C)[CH](CCC[CH]1CC[CH]2C[CH](CC[C]2(C)C1)OC(=O)CCC(O)=O)[CH](C)CCCC(C)C
FormulaC31 H56 O4
Name4-[[(2~{S},4~{a}~{R},6~{S},8~{a}~{S})-6-[(4~{S},5~{R})-4-[(2~{S})-butan-2-yl]-5,9-dimethyl-decyl]-4~{a}-methyl-2,3,4,5,6,7,8,8~{a}-octahydro-1~{H}-naphthalen-2-yl]oxy]-4-oxidanylidene-butanoic acid
ChEMBL
DrugBank
ZINC
PDB chain8inz Chain C Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8inz Cryo-EM structure of human HCN3 channel in apo state
Resolution2.72 Å
Binding residue
(original residue number in PDB)		I231 W234 F238 L244
Binding residue
(residue number reindexed from 1)		I160 W163 F167 L173
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005216 monoatomic ion channel activity
GO:0005248 voltage-gated sodium channel activity
GO:0005249 voltage-gated potassium channel activity
GO:0005267 potassium channel activity
GO:0005272 sodium channel activity
GO:0005515 protein binding
GO:0030552 cAMP binding
Biological Process
GO:0003254 regulation of membrane depolarization
GO:0006811 monoatomic ion transport
GO:0006813 potassium ion transport
GO:0006814 sodium ion transport
GO:0035725 sodium ion transmembrane transport
GO:0042391 regulation of membrane potential
GO:0055085 transmembrane transport
GO:0071320 cellular response to cAMP
GO:0071805 potassium ion transmembrane transport
GO:1903351 cellular response to dopamine
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0030424 axon
GO:0030425 dendrite
GO:0034702 monoatomic ion channel complex
GO:0043025 neuronal cell body
GO:0044316 cone cell pedicle
GO:0098855 HCN channel complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8inz, PDBe:8inz, PDBj:8inz
PDBsum8inz
PubMed38636662
UniProtQ9P1Z3|HCN3_HUMAN Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 3 (Gene Name=HCN3)

[Back to BioLiP]