Structure of PDB 2zxc Chain A Binding Site BS01

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 IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain2zxc Chain A Residue 647 [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)		H97 H204 E411 Y448
Binding residue
(residue number reindexed from 1)		H96 H203 E410 Y447
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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