Structure of PDB 1xey Chain A Binding Site BS02

Receptor Information
>1xey Chain A (length=448) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLLTDFRSELLDSRFGAKAISTIAESKRFPLHEMRDDVAFQIINDELYLD
GNARQNLATFCQTWDDENVHKLMDLSINKNWIDKEEYPQSAAIDLRCVNM
VADLWHAPAPKNGQAVGTNTIGSSEACMLGGMAMKWRWRKRMEAAGKPTD
KPNLVCGPVQICWHKFARYWDVELREIPMRPGQLFMDPKRMIEACDENTI
GVVPTFGVTYTGNYEFPQPLHDALDKFQADTGIDIDMHIDAASGGFLAPF
VAPDIVWDFRLPRVKSISASGHKFGLAPLGCGWVIWRDEEALPQELVFNV
DYLGGQIGTFAINFSRPAGQVIAQYYEFLRLGREGYTKVQNASYQVAAYL
ADEIAKLGPYEFICTGRPDEGIPAVCFKLKDGEDPGYTLYDLSERLRLRG
WQVPAFTLGGEATDIVVMRIMCRRGFEMDFAELLLEDYKASLKYLSDH
Ligand information
Ligand IDGUA
InChIInChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)
InChIKeyJFCQEDHGNNZCLN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CC(=O)O)CC(=O)O
ACDLabs 10.04O=C(O)CCCC(=O)O
CACTVS 3.341OC(=O)CCCC(O)=O
FormulaC5 H8 O4
NameGLUTARIC ACID
ChEMBLCHEMBL1162495
DrugBankDB03553
ZINCZINC000000388706
PDB chain1xey Chain A Residue 506 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1xey Structure of Escherichia coli glutamate decarboxylase (GADalpha) in complex with glutarate at 2.05 angstroms resolution.
Resolution2.05 Å
Binding residue
(original residue number in PDB)		D86 E89
Binding residue
(residue number reindexed from 1)		D83 E86
Annotation score3
Enzymatic activity
Enzyme Commision number 4.1.1.15: glutamate decarboxylase.
Gene Ontology
Molecular Function
GO:0004351 glutamate decarboxylase activity
GO:0005515 protein binding
GO:0016830 carbon-carbon lyase activity
GO:0016831 carboxy-lyase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0006536 glutamate metabolic process
GO:0006538 glutamate catabolic process
GO:0019752 carboxylic acid metabolic process
GO:0051454 intracellular pH elevation
Cellular Component
GO:0005829 cytosol
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1xey, PDBe:1xey, PDBj:1xey
PDBsum1xey
PubMed15735332
UniProtP69908|DCEA_ECOLI Glutamate decarboxylase alpha (Gene Name=gadA)

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