Structure of PDB 2zxc Chain A Binding Site BS03

Receptor Information
>2zxc Chain A (length=643) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLPYRFGLGKADITGEAAEVGMMGYSSLEQKTAGIHMRQWARAFVIEEAA
SGRRLVYVNTDLGMIFQAVHLKVLARLKAKYPGVYDENNVMLAATHTHSG
PGGFSHYAMYNLSVLGFQEKTFNAIVDGIVRSIERAQARLQPGRLFYGSG
ELRNASRNRSLLSHLKNPDIAGYEDGIDPQMSVLSFVDANGELAGAISWF
PVHSTSMTNANHLISPDNKGYASYHWEHDVSRKSGFVAAFAQTNAGNLSP
NLNLKPGSGPFDNEFDNTREIGLRQFAKAYEIAGQAQEEVLGELDSRFRF
VDFTRLPIRPEFTDGQPRQLCTAAIGTSLAAGSTEDGPGPLGLEEGNNPF
LSALGGLLTGVPPQELVQCQAEKTILADTGNKKPYPWTPTVLPIQMFRIG
QLELLGAPAEFTVMAGVRIRRAVQAASEAAGIRHVVFNGYANAYASYVTT
REEYAAQEYEGGSTLYGPWTQAAYQQLFVDMAVALRERLPVETSAIAPDL
SCCQMNFQTGVVADDPYIGKSFGDVLQQPRESYRIGDKVTVAFVTGHPKN
DLRTEKTFLEVVNIGKDGKQTPVTVATDNDWDTQYRWERVGISASKATIS
WSIPPGTEPGHYYIRHYGNAKNFWTQKISEIGGSTRSFEVLGT
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain2zxc Chain A Residue 652 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2zxc Mechanistic insights into the hydrolysis and synthesis of ceramide by neutral ceramidase.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		H37 D579 N580 D581 T584
Binding residue
(residue number reindexed from 1)		H36 D578 N579 D580 T583
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.1.23: ceramidase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0017040 N-acylsphingosine amidohydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0006629 lipid metabolic process
GO:0042759 long-chain fatty acid biosynthetic process
GO:0046512 sphingosine biosynthetic process
GO:0046514 ceramide catabolic process
GO:0051872 sphingosine catabolic process
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2zxc, PDBe:2zxc, PDBj:2zxc
PDBsum2zxc
PubMed19088069
UniProtQ9I596|NCASE_PSEAE Neutral ceramidase (Gene Name=PA0845)

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