Structure of PDB 4nto Chain B Binding Site BS02

Receptor Information
>4nto Chain B (length=201) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADKPLRKISAAFKKLAIIVNSPNPEVPVTQFSHACSLVSPLFGCLGIAFK
FAEMAYVAKVDDLVRASSSISTLVVMMDKDIEADCVRKAGSHTRNLLRVK
RGLDMVKVLFEQIIASEGDNSLKDPATKSYAQVFAPHHGWAIRKAVSLGM
YALPTRAHLLNMLKEDEAAAKIHMQSYVNSSAPLITYLDNLFLSKQLGID
W
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 B 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)		M59 A60 K64 R99 R103
Binding residue
(residue number reindexed from 1)		M54 A55 K59 R94 R98
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
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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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