Structure of PDB 8f6p Chain A Binding Site BS02

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 IDXHO
InChIInChI=1S/C24H33N3O4/c1-18-7-6-8-19(2)24(18)25-23(29)16-27-13-11-26(12-14-27)15-20(28)17-31-22-10-5-4-9-21(22)30-3/h4-10,20,28H,11-17H2,1-3H3,(H,25,29)/t20-/m1/s1
InChIKeyXKLMZUWKNUAPSZ-HXUWFJFHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cccc(c1NC(=O)CN2CCN(CC2)CC(COc3ccccc3OC)O)C
OpenEye OEToolkits 2.0.7Cc1cccc(c1NC(=O)CN2CCN(CC2)C[C@H](COc3ccccc3OC)O)C
CACTVS 3.385COc1ccccc1OC[C@H](O)CN2CCN(CC2)CC(=O)Nc3c(C)cccc3C
CACTVS 3.385COc1ccccc1OC[CH](O)CN2CCN(CC2)CC(=O)Nc3c(C)cccc3C
ACDLabs 12.01OC(CN1CCN(CC1)CC(=O)Nc1c(C)cccc1C)COc1ccccc1OC
FormulaC24 H33 N3 O4
Name(R)-ranolazine;
N-(2,6-dimethylphenyl)-2-{4-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl}acetamide
ChEMBLCHEMBL1357016
DrugBank
ZINCZINC000095619101
PDB chain8f6p Chain A Residue 2211 [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)		Q372 V406 C899 F1420 S1712 F1762 V1766
Binding residue
(residue number reindexed from 1)		Q250 V284 C483 F749 S1023 F1073 V1077
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
View graph for
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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