Structure of PDB 4wgk Chain B Binding Site BS03

Receptor Information
>4wgk Chain B (length=672) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FSGYHIGVGRADCTGQVADINLMGYGKSGQNAQGILTRLYSRAFIMAEPD
GSNRTVFVSIDIGMVSQRLRLEVLNRLQSKYGSLYRRDNVILSGTHTHSG
PAGYFQYTVFVIASEGFSNQTFQHMVTGILKSIDIAHTNMKPGKIFINKG
NVDGVQINRSPYSYLQNPQSERARYSSNTDKEMIVLKMVDLNGDDLGLIS
WFAIHPVSMNNSNHLVNSDNVGYASYLLEQEKNKGYLPGQGPFVAAFASS
NLGDVSPNILGPRCINTGESCDNANSTCPIGGPSMCIAKGPGQDMFDSTQ
IIGRAMYQRAKELYASASQEVTGPLASAHQWVDMTDVTVWLNSTHASKTC
KPALGYSFAAGTIDGVGGLNFTQGKTEGDPFWDTIRDQILGKPSEEIKEC
HKPKPILLHTGELSKPHPWHPDIVDVQIITLGSLAITAIPGEFTTMSGRR
LREAVQAEFASHGMQNMTVVISGLCNVYTHYITTYEEYQAQRYEAASTIY
GPHTLSAYIQLFRNLAKAIATDTVANLSRGPEPPFFKQLIPSIVDRAPKG
RTFGDVLQPAKPEYRVGEVAEVIFVGANPKNSVQNQTHQTFLTVEKYEAT
STSWQIVCNDASWETRFYWHKGLLGLSNATVEWHIPDTAQPGIYRIRYFG
HNRKQAVILSFEGTSPAFEVVT
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain4wgk Chain B Residue 808 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4wgk Structural Basis for Ceramide Recognition and Hydrolysis by Human Neutral Ceramidase.
Resolution2.582 Å
Binding residue
(original residue number in PDB)		G122 H194 H196 Y579 Y591
Binding residue
(residue number reindexed from 1)		G24 H96 H98 Y481 Y493
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.1.-
3.5.1.23: ceramidase.
Gene Ontology
Molecular Function
GO:0017040 N-acylsphingosine amidohydrolase activity
Biological Process
GO:0046514 ceramide catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4wgk, PDBe:4wgk, PDBj:4wgk
PDBsum4wgk
PubMed26190575
UniProtQ9NR71|ASAH2_HUMAN Neutral ceramidase (Gene Name=ASAH2)

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