Structure of PDB 6ke5 Chain C Binding Site BS01

Receptor Information
>6ke5 Chain C (length=219) Species: 367737 (Aliarcobacter butzleri RM4018) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MYLRITNIVESSFFTKFIIYLIVLNGITMGLETSKTFMQSFGVYTTLFNQ
IVITIFTIEIILRIYVHRISFFKDPWSLFDFFVVAISLVPTSSGFEILRV
LRVLRLFRLVTAVPQMRKIVSALISVIPGMLSVIALMTLFFYIFAIMATQ
LFGERFPEWFGTLGESFYTLFQVMTLDDWSNGIVRPLMEVYPYAYVFFIP
FIFVVTFVMINLVVAIIVD
Ligand information
Ligand IDLPC
InChIInChI=1S/C22H46NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-22(25)28-19-21(24)20-30-31(26,27)29-18-17-23(2,3)4/h21,24H,5-20H2,1-4H3/p+1/t21-/m1/s1
InChIKeyVXUOFDJKYGDUJI-OAQYLSRUSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)O
CACTVS 3.341CCCCCCCCCCCCCC(=O)OC[C@@H](O)CO[P@@](O)(=O)OCC[N+](C)(C)C
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)O
CACTVS 3.341CCCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O)(=O)OCC[N+](C)(C)C
ACDLabs 10.04O=C(OCC(O)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCCCC
FormulaC22 H47 N O7 P
Name[1-MYRISTOYL-GLYCEROL-3-YL]PHOSPHONYLCHOLINE
ChEMBL
DrugBank
ZINCZINC000015297567
PDB chain6ke5 Chain C Residue 1301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ke5 Structural Basis for Diltiazem Block of a Voltage-Gated Ca2+Channel.
Resolution2.803 Å
Binding residue
(original residue number in PDB)		T1138 G1164 F1167
Binding residue
(residue number reindexed from 1)		T138 G164 F167
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:0005261 monoatomic cation channel activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0006811 monoatomic ion transport
GO:0035725 sodium ion transmembrane transport
GO:0055085 transmembrane transport
GO:0098655 monoatomic cation transmembrane transport
Cellular Component
GO:0001518 voltage-gated sodium channel complex
GO:0005886 plasma membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6ke5, PDBe:6ke5, PDBj:6ke5
PDBsum6ke5
PubMed31391290
UniProtA8EVM5

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