Structure of PDB 2dbw Chain B Binding Site BS01

Receptor Information
>2dbw Chain B (length=190) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTHYSVVDKDGNAVAVTYTLNTTFGTGIVAGESGILLNNQMDDFSAKPGV
PNVYGLVGGDANAVGPNKRPLSSMSPTIVVKDGKTWLVTGSPGGSRIITT
VLQMVVNSIDYGLNVAEATNAPRFHHQWLPDELRVEKGFSPDTLKLLEAK
GQKVALKEAMGSTQSIMVGPDGELYGASDPRSVDDLTAGY
Ligand information
Ligand IDGGL
InChIInChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
InChIKeyWHUUTDBJXJRKMK-VKHMYHEASA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)C(N)CCC(=O)O
OpenEye OEToolkits 1.7.2C(CC(=O)O)C(C(=O)O)N
OpenEye OEToolkits 1.7.2C(CC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.370N[C@@H](CCC(O)=O)C(O)=O
CACTVS 3.370N[CH](CCC(O)=O)C(O)=O
FormulaC5 H9 N O4
NameGAMMA-L-GLUTAMIC ACID;
L-GLUTAMIC ACID
ChEMBLCHEMBL575060
DrugBankDB00142
ZINCZINC000001482113
PDB chain2dbw Chain B Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2dbw Crystal structures of gamma-glutamyltranspeptidase from Escherichia coli, a key enzyme in glutathione metabolism, and its reaction intermediate
Resolution1.8 Å
Binding residue
(original residue number in PDB)		T391 N411 D433 S462 S463 P482 G484
Binding residue
(residue number reindexed from 1)		T1 N21 D43 S72 S73 P92 G94
Annotation score5
Enzymatic activity
Enzyme Commision number 2.3.2.2: gamma-glutamyltransferase.
3.4.19.13: glutathione gamma-glutamate hydrolase.
Gene Ontology
Molecular Function
GO:0036374 glutathione hydrolase activity
Biological Process
GO:0006751 glutathione catabolic process

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:2dbw, PDBe:2dbw, PDBj:2dbw
PDBsum2dbw
PubMed16618936
UniProtP18956|GGT_ECOLI Glutathione hydrolase proenzyme (Gene Name=ggt)

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