Structure of PDB 2okj Chain A Binding Site BS02

Receptor Information
>2okj Chain A (length=501) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TDFSNLFARDLLPAKNGEEQTVQFLLEVVDILLNYVRKTFDRSTKVLDFH
HPHQLLEGMEGFNLELSDHPESLEQILVDCRDTLKYGVRTGHPRFFNQLS
TGLDIIGLAGEWLTSTANTNMFTYEIAPVFVLMEQITLKKMREIVGWSSK
DGDGIFSPGGAISNMYSIMAARYKYFPEVKTKGMAAVPKLVLFTSEQSHY
SIKKAGAALGFGTDNVILIKCNERGKIIPADFEAKILEAKQKGYVPFYVN
ATAGTTVYGAFDPIQEIADICEKYNLWLHVDAAWGGGLLMSRKHRHKLNG
IERANSVTWNPHKMMGVLLQCSAILVKEKGILQGCNQMCAGYLFQPDKQY
DVSYDTGDKAIQCGRHVDIFKFWLMWKAKGTVGFENQINKCLELAEYLYA
KIKNREEFEMVFNGEPEHTNVCFWYIPQSLRGVPDSPQRREKLHKVAPKI
KALMMESGTTMVGYQPQGDKANFFRMVISNPAATQSDIDFLIEEIERLGQ
D
Ligand information
Ligand IDPLZ
InChIInChI=1S/C12H19N2O7P/c1-8-12(17)10(6-13-4-2-3-11(15)16)9(5-14-8)7-21-22(18,19)20/h5,13,17H,2-4,6-7H2,1H3,(H,15,16)(H2,18,19,20)
InChIKeyDOHWOHSLOVXAFH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)CNCCCC(=O)O)O
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(CNCCCC(O)=O)c1O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1CNCCCC(=O)O)C
FormulaC12 H19 N2 O7 P
Name4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]BUTANOIC ACID
ChEMBL
DrugBank
ZINCZINC000013521244
PDB chain2okj Chain B Residue 2001 [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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PDB2okj GABA production by glutamic acid decarboxylase is regulated by a dynamic catalytic loop.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		C455 G456
Binding residue
(residue number reindexed from 1)		C363 G364
Annotation score1
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
View graph for
Biological Process
External links
PDB RCSB:2okj, PDBe:2okj, PDBj:2okj
PDBsum2okj
PubMed17384644
UniProtQ99259|DCE1_HUMAN Glutamate decarboxylase 1 (Gene Name=GAD1)

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