Structure of PDB 4nto Chain C Binding Site BS02

Receptor Information
>4nto Chain C (length=200) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DKPLRKISAAFKKLAIIVNSPNPEVPVTQFSHACSLVSPLFGCLGIAFKF
AEMAYVAKVDDLVRASSSISTLVVMMDKDIEADCVRKAGSHTRNLLRVKR
GLDMVKVLFEQIIASEGDNSLKDPATKSYAQVFAPHHGWAIRKAVSLGMY
ALPTRAHLLNMLKEDEAAAKIHMQSYVNSSAPLITYLDNLFLSKQLGIDW
Ligand information
Ligand ID1PW
InChIInChI=1S/C20H40NO6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)19(21-18(2)22)17-27-28(24,25)26/h15-16,19-20,23H,3-14,17H2,1-2H3,(H,21,22)(H2,24,25,26)/b16-15+/t19-,20+/m0/s1
InChIKeyHWPZKJVGDYNEAW-QUDYQQOWSA-N
SMILES
SoftwareSMILES
CACTVS 3.370CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[P](O)(O)=O)NC(C)=O
CACTVS 3.370CCCCCCCCCCCCCC=C[CH](O)[CH](CO[P](O)(O)=O)NC(C)=O
OpenEye OEToolkits 1.7.6CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)NC(=O)C)O
ACDLabs 12.01O=C(NC(COP(=O)(O)O)C(O)/C=C/CCCCCCCCCCCCC)C
OpenEye OEToolkits 1.7.6CCCCCCCCCCCCCC=CC(C(COP(=O)(O)O)NC(=O)C)O
FormulaC20 H40 N O6 P
Name(2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate
ChEMBL
DrugBank
ZINCZINC000056870937
PDB chain4nto Chain C Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4nto Arabidopsis Accelerated Cell Death 11, ACD11, Is a Ceramide-1-Phosphate Transfer Protein and Intermediary Regulator of Phytoceramide Levels.
Resolution2.152 Å
Binding residue
(original residue number in PDB)		F56 A60 R99 R103
Binding residue
(residue number reindexed from 1)		F50 A54 R93 R97
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
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4nto, PDBe:4nto, PDBj:4nto
PDBsum4nto
PubMed24412362
UniProtO64587|ACD11_ARATH Accelerated cell death 11 (Gene Name=ACD11)

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