Structure of PDB 8juj Chain B Binding Site BS02

Receptor Information
>8juj Chain B (length=380) Species: 226900 (Bacillus cereus ATCC 14579) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FHKAINRRGTHSIKWDTYKNEELIHAWIADMDFEVPKPIQTALKQRIEHP
IFGYTLPPENIGNIICNWTKQQYDWDIQKEWIVFSAGIVPALSTSIQAFT
KENESVLVQPPIYPPFFEMVTTNNRQLYVSPLQKQNDTYVIDFQHLEKQF
QQGIKLMLLCSPHNPIGRVWTKEELLQLGSLCTKYNVIVVADEIHSDIIY
ADHTHTPFASLSEELAARTITCMAPSKTFNIAGLQASIIIIPNEKLRQAF
TSIQYRQGFHGLNIFAYTAMQSAYTECNDWLNEIRLYIEDNAQFAWEYIK
THIPALSVTKPEGSFLLWIDCSRLKLSQNERTALLEEKGKIIVEPGEKYG
LGGEEHIRINIGCPRSVLEEILNRLRHTFS
Ligand information
Ligand IDPLP
InChIInChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
InChIKeyNGVDGCNFYWLIFO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1C=O)C
FormulaC8 H10 N O6 P
NamePYRIDOXAL-5'-PHOSPHATE;
VITAMIN B6 Phosphate
ChEMBLCHEMBL82202
DrugBankDB00114
ZINCZINC000001532514
PDB chain8juj Chain B Residue 401 [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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PDB8juj Crystal structures of Cystathionine beta lyase from Bacillus cereus ATCC 14579
Resolution1.99 Å
Binding residue
(original residue number in PDB)		G90 I91 Y116 D195 I197 H198 K230
Binding residue
(residue number reindexed from 1)		G87 I88 Y113 D192 I194 H195 K227
Annotation score1
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004069 L-aspartate:2-oxoglutarate aminotransferase activity
GO:0008483 transaminase activity

View graph for
Molecular Function
External links
PDB RCSB:8juj, PDBe:8juj, PDBj:8juj
PDBsum8juj
PubMed
UniProtQ816F3

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