Structure of PDB 3mc6 Chain C Binding Site BS01

Receptor Information
>3mc6 Chain C (length=424) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SQLMNFPQLPSNGIPQDDVIEELNKLNDLIPHTQWKEGKVSGAVYHGGDD
LIHLQTIAYEKYCVANQLHPDVFPAVRKMESEVVSMVLRMFNAPSDTGCG
TTTSGGTESLLLACLSAKMYALHHRGITEPEIIAPVTAHAGFDKAAYYFG
MKLRHVELDPTTYQVDLGKVKKFINKNTVLLVGSAPNFPHGIADDIEGLG
KIAQKYKLPLHVDSCLGSFIVSFMEKAGYKNLPLLDFRVPGVTSISCDTH
KYGFAPKGSSVIMYRNSDLRMHQYYVNPAWTGGLYGSPTLAGSRPGAIVV
GCWATMVNMGENGYIESCQEIVGAAMKFKKYIQENIPDLDIMGNPRYSVI
SFSSKTLNIHELSDRLSKKGWHFNALQKPVALHMAFTRLSAHVVDEICDI
LRTTVQELKSEDKLIVGFLDALYK
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 chain3mc6 Chain C Residue 1 [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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PDB3mc6 Structure and Function of Sphingosine-1-Phosphate Lyase, a Key Enzyme of Sphingolipid Metabolism.
Resolution3.15 Å
Binding residue
(original residue number in PDB)		G235 T236 D377 H379
Binding residue
(residue number reindexed from 1)		G106 T107 D248 H250
Annotation score1
Enzymatic activity
Enzyme Commision number 4.1.2.-
4.1.2.27: sphinganine-1-phosphate aldolase.
Gene Ontology
Molecular Function
GO:0016830 carbon-carbon lyase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0019752 carboxylic acid metabolic process

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:3mc6, PDBe:3mc6, PDBj:3mc6
PDBsum3mc6
PubMed20696404
UniProtQ05567|SGPL_YEAST Sphingosine-1-phosphate lyase (Gene Name=DPL1)

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