Structure of PDB 3a9x Chain A Binding Site BS01

Receptor Information
>3a9x Chain A (length=388) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NRKVYMDYNATTPLEPEVIQAVTEAMKEAWGNPSSSYVAGRKAKDIINTA
RASLAKMIGGKPQDIIFTSGGTESNNLVIHSTVRCFHEQQTLQGEGTRPH
FITCTVEHDSIRLPLEHLVEDQVAEVTFVPVSKVNGQVEVEDILAAVRPT
TCLVTIMLANNETGVIMPISEISRRIKALNQIRAASGLPRVLVHTDAAQA
LGKRRVDVEDLGVDFLTIVGHKFYGPRIGALYVRGVGKLTPLYPMLFGGG
QERNFRPGTENTPMIAGLGKAADLVSENCETYEAHMRDIRDYLEERLEAE
FGKRIHLNSRFPGVERLPNTCNFSIQGSQLRGYMVLAQCQTLLASVGAPV
DVARNAVRLSVGRSTTRAEVDLIVQDLKQAVNQLEGPV
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 chain3a9x Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3a9x Reaction mechanism and molecular basis for selenium/sulfur discrimination of selenocysteine lyase.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		T88 H133 N186 D221 A223 H246 K247
Binding residue
(residue number reindexed from 1)		T72 H108 N161 D196 A198 H221 K222
Annotation score1
Enzymatic activity
Enzyme Commision number 4.4.1.16: selenocysteine lyase.
Gene Ontology
Molecular Function
GO:0009000 selenocysteine lyase activity
GO:0016597 amino acid binding
GO:0016740 transferase activity
GO:0016829 lyase activity
GO:0042803 protein homodimerization activity
GO:0070279 vitamin B6 binding
Biological Process
GO:0001887 selenium compound metabolic process
GO:0006629 lipid metabolic process
GO:0016261 selenocysteine catabolic process
GO:0032868 response to insulin
GO:1900408 negative regulation of cellular response to oxidative stress
Cellular Component
GO:0005737 cytoplasm
GO:0005794 Golgi apparatus
GO:0005829 cytosol
GO:1902494 catalytic complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3a9x, PDBe:3a9x, PDBj:3a9x
PDBsum3a9x
PubMed20164179
UniProtQ68FT9|SCLY_RAT Selenocysteine lyase (Gene Name=Scly)

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