Structure of PDB 4ntg Chain B Binding Site BS01

Receptor Information
>4ntg Chain B (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 ID1PZ
InChIInChI=1S/C30H60NO6P/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-29(32)28(27-37-38(34,35)36)31-30(33)26-24-22-20-17-12-10-8-6-4-2/h23,25,28-29,32H,3-22,24,26-27H2,1-2H3,(H,31,33)(H2,34,35,36)/b25-23+/t28-,29+/m0/s1
InChIKeyKXEMZGPJXBKYJP-VARSQMIESA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)NC(=O)CCCCCCCCCCC)O
CACTVS 3.370CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[P](O)(O)=O)NC(=O)CCCCCCCCCCC
ACDLabs 12.01O=C(NC(COP(=O)(O)O)C(O)/C=C/CCCCCCCCCCCCC)CCCCCCCCCCC
CACTVS 3.370CCCCCCCCCCCCCC=C[CH](O)[CH](CO[P](O)(O)=O)NC(=O)CCCCCCCCCCC
OpenEye OEToolkits 1.7.6CCCCCCCCCCCCCC=CC(C(COP(=O)(O)O)NC(=O)CCCCCCCCCCC)O
FormulaC30 H60 N O6 P
Name(2S,3R,4E)-2-(dodecanoylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate
ChEMBL
DrugBank
ZINCZINC000040165309
PDB chain4ntg Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ntg Arabidopsis Accelerated Cell Death 11, ACD11, Is a Ceramide-1-Phosphate Transfer Protein and Intermediary Regulator of Phytoceramide Levels.
Resolution2.5505 Å
Binding residue
(original residue number in PDB)		A53 F54 A57 A60 K64 R99 R103 M110 F139 H143 I147
Binding residue
(residue number reindexed from 1)		A47 F48 A51 A54 K58 R93 R97 M104 F133 H137 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:4ntg, PDBe:4ntg, PDBj:4ntg
PDBsum4ntg
PubMed24412362
UniProtO64587|ACD11_ARATH Accelerated cell death 11 (Gene Name=ACD11)

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