Structure of PDB 4kf6 Chain A Binding Site BS02

Receptor Information
>4kf6 Chain A (length=206) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLKVVLVSFKQCLDEKEEVLLDPYIASWKGLVRFLNSLGTIFSFISKDVV
SKLRIMERLRGGPQSEHYRSLQAMVAHELSNRLVDLERRSHHPESGCRTV
LRLHRALHWLQLFLEGLRTSPEDARTSALCADSYNASLAAYHPWVVRRAV
TVAFCTLPTREVFLEAMNVGPPEQAVQMLGEALPFIQRVYNVSQKLYAEH
SLLDLP
Ligand information
Ligand ID1T9
InChIInChI=1S/C26H52NO6P/c1-3-5-7-9-10-11-12-13-14-15-16-18-19-21-25(28)24(23-33-34(30,31)32)27-26(29)22-20-17-8-6-4-2/h19,21,24-25,28H,3-18,20,22-23H2,1-2H3,(H,27,29)(H2,30,31,32)/b21-19+/t24-,25+/m0/s1
InChIKeyVSSNYUXSRXINIP-WRBRXSDHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCCCCCCCCCCCCC=CC(C(COP(=O)(O)O)NC(=O)CCCCCCC)O
OpenEye OEToolkits 1.7.6CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)NC(=O)CCCCCCC)O
CACTVS 3.370CCCCCCCCCCCCCC=C[CH](O)[CH](CO[P](O)(O)=O)NC(=O)CCCCCCC
ACDLabs 12.01O=C(NC(COP(=O)(O)O)C(O)/C=C/CCCCCCCCCCCCC)CCCCCCC
CACTVS 3.370CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[P](O)(O)=O)NC(=O)CCCCCCC
FormulaC26 H52 N O6 P
Name(2S,3R,4E)-3-hydroxy-2-(octanoylamino)octadec-4-en-1-yl dihydrogen phosphate
ChEMBL
DrugBank
ZINCZINC000064858328
PDB chain4kf6 Chain C Residue 301 [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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PDB4kf6 Non-vesicular trafficking by a ceramide-1-phosphate transfer protein regulates eicosanoids.
Resolution3.195 Å
Binding residue
(original residue number in PDB)		W152 R156
Binding residue
(residue number reindexed from 1)		W144 R148
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005543 phospholipid binding
GO:0008289 lipid binding
GO:0120013 lipid transfer activity
GO:1902387 ceramide 1-phosphate binding
GO:1902388 ceramide 1-phosphate transfer activity
Biological Process
GO:0006869 lipid transport
GO:0010507 negative regulation of autophagy
GO:0032691 negative regulation of interleukin-1 beta production
GO:0035627 ceramide transport
GO:0046836 glycolipid transport
GO:0120009 intermembrane lipid transfer
GO:1900226 negative regulation of NLRP3 inflammasome complex assembly
GO:1902389 ceramide 1-phosphate transport
Cellular Component
GO:0005634 nucleus
GO:0005640 nuclear outer membrane
GO:0005737 cytoplasm
GO:0005768 endosome
GO:0005794 Golgi apparatus
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0010008 endosome membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4kf6, PDBe:4kf6, PDBj:4kf6
PDBsum4kf6
PubMed23863933
UniProtQ5TA50|CPTP_HUMAN Ceramide-1-phosphate transfer protein (Gene Name=CPTP)

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