Structure of PDB 4nt2 Chain A Binding Site BS01

Receptor Information
>4nt2 Chain A (length=200) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DKPLRKISAAFKKLAIIVNSPNPEVPVTQFSHACSLVSPLFGCLGIAFKF
AEMDYVAKVDDLVRASSSISTLVVMMDKDIEADCVRKAGSHTRNLLRVKR
GLDMVKVLFEQIIASEGDNSLKDPATKSYAQVFAPHHGWAIRKAVSLGMY
ALPTRAHLLNMLKEDEAAAKIHMQSYVNSSAPLITYLDNLFLSKQLGIDW
Ligand information
Ligand IDSPU
InChIInChI=1S/C23H49N2O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)22(24)21-30-31(27,28)29-20-19-25(2,3)4/h17-18,22-23,26H,5-16,19-21,24H2,1-4H3/p+1/b18-17+/t22-,23+/m0/s1
InChIKeyJLVSPVFPBBFMBE-HXSWCURESA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)N)O
ACDLabs 11.02O=P(OCC(N)C(O)/C=C/CCCCCCCCCCCCC)(OCC[N+](C)(C)C)O
CACTVS 3.352CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)CO[P](O)(=O)OCC[N+](C)(C)C
CACTVS 3.352CCCCCCCCCCCCCC=C[CH](O)[CH](N)CO[P](O)(=O)OCC[N+](C)(C)C
OpenEye OEToolkits 1.7.0CCCCCCCCCCCCCC=CC(C(COP(=O)(O)OCC[N+](C)(C)C)N)O
FormulaC23 H50 N2 O5 P
Name2-{[(R)-{[(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl]oxy}(hydroxy)phosphoryl]oxy}-N,N,N-trimethylethanaminium;
sphingosylphosphorylcholine, sphingosine phosphorylcholine
ChEMBLCHEMBL1236027
DrugBank
ZINCZINC000008218753
PDB chain4nt2 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4nt2 Arabidopsis Accelerated Cell Death 11, ACD11, Is a Ceramide-1-Phosphate Transfer Protein and Intermediary Regulator of Phytoceramide Levels.
Resolution2.403 Å
Binding residue
(original residue number in PDB)		D60 H143 G144 I147
Binding residue
(residue number reindexed from 1)		D54 H137 G138 I141
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0008289 lipid binding
GO:0120013 lipid transfer activity
GO:0140338 sphingomyelin transfer activity
Biological Process
GO:0006869 lipid transport
GO:0008219 cell death
GO:0009751 response to salicylic acid
GO:0015914 phospholipid transport
GO:0042742 defense response to bacterium
GO:0120009 intermembrane lipid transfer
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4nt2, PDBe:4nt2, PDBj:4nt2
PDBsum4nt2
PubMed24412362
UniProtO64587|ACD11_ARATH Accelerated cell death 11 (Gene Name=ACD11)

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