Structure of PDB 2zws Chain A Binding Site BS02

Receptor Information
>2zws Chain A (length=630) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DDLPYRFGLGKADITGEAAEVGMMGYSSLEQKTAGIHMRQWARAFVIEEA
ASGRRLVYVNTDLGMIFQAVHLKVLARLKAKYPGVYDENNVMLAATHTHS
GPGGFSHYAMYNLSVLGFQEKTFNAIVDGIVRSIERAQARLQPGRLFYGS
GELRNASRNRSLLSHLKNPDIAGYEDGIDPQMSVLSFVDANGELAGAISW
FPVHSTSMTNANHLISPDNKGYASYHWEHDVSRKSGFVAAFAQTNAGNLS
PNLNLKPGSGPFDNEFDNTREIGLRQFAKAYEIAGQAQEEVLGELDSRFR
FVDFTRLPIRPEFTDGQPRQLCTAAIGTLEEGNNPFLSALGGLLTGVPPQ
ELVQCQAEKTILADTGNKKPYPWTPTVLPIQMFRIGQLELLGAPAEFTVM
AGVRIRRAVQAASEAAGIRHVVFNGYANAYASYVTTREEYAAQEYEGGST
LYGPWTQAAYQQLFVDMAVALRERLPVETSAIAPDLSCCQMNFQTGVVAD
DPYIGKSFGDVLQQPRESYRIGDKVTVAFVTGHPKNDLRTEKTFLEVVNI
GKDGKQTPVTVATDNDWDTQYRWERVGISASKATISWSIPPGTEPGHYYI
RHYGNAKNFWTQKISEIGGSTRSFEVLGTT
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 chain2zws Chain A Residue 648 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2zws Mechanistic insights into the hydrolysis and synthesis of ceramide by neutral ceramidase.
Resolution1.4 Å
Binding residue
(original residue number in PDB)		H37 D579 D581 T584
Binding residue
(residue number reindexed from 1)		H37 D564 D566 T569
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:2zws, PDBe:2zws, PDBj:2zws
PDBsum2zws
PubMed19088069
UniProtQ9I596|NCASE_PSEAE Neutral ceramidase (Gene Name=PA0845)

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