Structure of PDB 2okk Chain A Binding Site BS01

Receptor Information
>2okk Chain A (length=483) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NYAFLHATDLLPACDGERPTLAFLQDVMNILLQYVVKSFDRSTKVIDFHY
PNELLQEYNWELADQPQNLEEILMHCQTTLKYAIKTGHPRYFNQLSTGLD
MVGLAADWLTSTANTNMFTYEIAPVFVLLEYVTLKKMREIIGWPGGSGDG
IFSPGGAISNMYAMMIARFKMFPEVKEKGMAALPRLIAFTSEHSHFSLKK
GAAALGIGTDSVILIKCDERGKMIPSDLERRILEAKQKGFVPFLVSATAG
TTVYGAFDPLLAVADICKKYKIWMHVDAAWGGGLLMSRKHKWKLSGVERA
NSVTWNPHKMMGVPLQCSALLVREEGLMQNCNQMHDLSYDTGDKALQCGR
HVDVFKLWLMWRAKGTTGFEAHVDKCLELAEYLYNIIKNREGYEMVFDGK
PQHTNVCFWYIPPSLRTLEERMSRLSKVAPVIKARMMEYGTTMVSYQPLG
DKVNFFRMVISNPAATHQDIDFLIEEIERLGQD
Ligand information
Ligand IDABU
InChIInChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
InChIKeyBTCSSZJGUNDROE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370NCCCC(O)=O
ACDLabs 12.01O=C(O)CCCN
OpenEye OEToolkits 1.7.0C(CC(=O)O)CN
FormulaC4 H9 N O2
NameGAMMA-AMINO-BUTANOIC ACID;
GAMMA(AMINO)-BUTYRIC ACID
ChEMBLCHEMBL96
DrugBankDB02530
ZINCZINC000001532620
PDB chain2okk Chain A Residue 585 [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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PDB2okk GABA production by glutamic acid decarboxylase is regulated by a dynamic catalytic loop.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		Q181 L182 S183 R558
Binding residue
(residue number reindexed from 1)		Q94 L95 S96 R457
Annotation score5
Enzymatic activity
Enzyme Commision number 4.1.1.15: glutamate decarboxylase.
Gene Ontology
Molecular Function
GO:0016830 carbon-carbon lyase activity
GO:0016831 carboxy-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:2okk, PDBe:2okk, PDBj:2okk
PDBsum2okk
PubMed17384644
UniProtQ05329|DCE2_HUMAN Glutamate decarboxylase 2 (Gene Name=GAD2)

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