Structure of PDB 3a9y Chain A Binding Site BS01

Receptor Information
>3a9y Chain A (length=403) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RKVYMDYNATTPLEPEVIQAVTEAMKEAWGNPSSSYVAGRKAKDIINTAR
ASLAKMIGGKPQDIIFTSGGTESNNLVIHSTVRCFHEQQTLGTRPHFITC
TVEHDSIRLPLEHLVEDQVAEVTFVPVSKVNGQVEVEDILAAVRPTTCLV
TIMLANNETGVIMPISEISRRIKALNQIRAASGLPRVLVHTDAAQALGKR
RVDVEDLGVDFLTIVGHKFYGPRIGALYVRGVGKLTPLYPMLFGGGQERN
FRPGTENTPMIAGLGKAADLVSENCETYEAHMRDIRDYLEERLEAEFGKR
IHLNSRFPGVERLPNTCNFSIQGSQLRGYMVLAQCQTLLASVGASCHSDH
EDRPSPVLLSCGIPVDVARNAVRLSVGRSTTRAEVDLIVQDLKQAVNQLE
GPV
Ligand information
Ligand IDCYS
InChIInChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
InChIKeyXUJNEKJLAYXESH-REOHCLBHSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CS)C(O)=O
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)O)N)S
CACTVS 3.341N[C@@H](CS)C(O)=O
ACDLabs 10.04O=C(O)C(N)CS
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)S
FormulaC3 H7 N O2 S
NameCYSTEINE
ChEMBLCHEMBL863
DrugBankDB00151
ZINCZINC000000895042
PDB chain3a9y Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3a9y Reaction mechanism and molecular basis for selenium/sulfur discrimination of selenocysteine lyase.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		N25 A26 N186 K247 A373 S374 R402
Binding residue
(residue number reindexed from 1)		N8 A9 N157 K218 A344 S345 R373
Annotation score2
Binding affinityMOAD: Ki=9.6mM
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:3a9y, PDBe:3a9y, PDBj:3a9y
PDBsum3a9y
PubMed20164179
UniProtQ68FT9|SCLY_RAT Selenocysteine lyase (Gene Name=Scly)

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