Structure of PDB 8f6p Chain A Binding Site BS12

Receptor Information
>8f6p Chain A (length=1091) Species: 6100,10116 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HPVRRAAVKILVHSLFSMLIMCTILTNCVFMAQHDPPPWTKYVEYTFTAI
YTFESLVKILARGFCLHAFTFLRDPWNWLDFSVIVMAYTTEFVDSALRTF
RVLRALKTISVISGLKTIVGALIQSVKKLADVMVLTVFCLSVFALIGLQL
FMGNLRHKCVRNFTELNGTNGSVEADGLVWNSLDVYLNDPANYLLKNGTT
DVLLCGNSSDAGTCPEGYRCLKAGQNPDHGYTSFDSFAWAFLALFRLMTQ
DCWERLYQQTLRSAGKIYMIFFMLVIFLGSFYLVNLILAVVAMAYEEQNQ
ATIAETEEPFADLTITMCIVLNTLFMALEHYNMTAEFEEMLQVGNLVFTG
IFTAEMTFKIIALDPYYYFQQGWNIFDSIIVILSLMELGSVLRSFRLLRV
FKLAKSWPTLNTLIKIIGNSVGALGNLTLVLAIIVFIFAVVGMQLFGKNY
SELRHRISDSGLLPRWHMMDFFHAFLIIFRILCGEWIETMWDCMEVSGQS
LCLLVFLLVMVIGNLVVLNLFLALLLSSFWWRLRKTCYRIVEHSWFETFI
IFMILLSSGALAFEDIYLEERKTIKVLLEYADKMFTYVFVLEMLLKWVAY
GFKKYFTNAWCWLDFLIVDVSLVSLVANTIKSLRTLRALRPLRALSRFEG
MRVVVNALVGAIPSIMNVLLVCLIFWLIFSIMGVNLFAGKFGRCINQTEG
DLPLNYTIVNNKSECESFNVTGELYWTKVKVNFDNVGAGYLALLQVATFK
GWMDIMYAAVDSRGYEEQPQWEDNLYMYIYFVVFIIFGSFFTLNLFIGVI
IDNFNQQKKKLGGQDIFMTEEQKKYYNMMKKLGSKKPQQGFIFDIVTKQA
FDVTIMFLICLNMVTMMVETDDQSPEKVNILAKINLLFVAIFTGECIVKM
AALRHYYFTNSWNIFDFVVVILSIVGTVLSDITLFRVIRLARIGRILRLI
RGAKGIRTLLFALMMSLPALFNIGLLLFLVMFIYSIFGMANFAYVKWEAG
IDDMFNFQTFANSMLCLFQITTSAGWDGLLSPILNTGPPYCDPNLPNSNG
SRGNCGSPAVGILFFTTYIIISFLIVVNMYIAIILENFSVA
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 chain8f6p Chain A Residue 2223 [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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PDB8f6p Structural Basis for Inhibition of the Cardiac Sodium Channel by the Atypical Antiarrhythmic Drug Ranolazine
Resolution3.2 Å
Binding residue
(original residue number in PDB)		L1542 T1546 K1558 I1565
Binding residue
(residue number reindexed from 1)		L861 T865 K877 I884
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003674 molecular_function
GO:0005216 monoatomic ion channel activity
GO:0005248 voltage-gated sodium channel activity
GO:0005261 monoatomic cation channel activity
Biological Process
GO:0006091 generation of precursor metabolites and energy
GO:0006811 monoatomic ion transport
GO:0006814 sodium ion transport
GO:0008218 bioluminescence
GO:0055085 transmembrane transport
Cellular Component
GO:0001518 voltage-gated sodium channel complex
GO:0005575 cellular_component
GO:0005886 plasma membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8f6p, PDBe:8f6p, PDBj:8f6p
PDBsum8f6p
PubMed
UniProtP15389;
P42212|GFP_AEQVI Green fluorescent protein (Gene Name=GFP)

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