Structure of PDB 2z8k Chain D Binding Site BS01

Receptor Information
>2z8k Chain D (length=190) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTHYSVVDKDGNAVAVTYTLNTTFGTGIVAGESGILLNNQMDDFSAKPGV
PNVYGLVGGDANAVGPNKRPLSSMSPTIVVKDGKTWLVTGSPGGSRIITT
VLQMVVNSIDYGLNVAEATNAPRFHHQWLPDELRVEKGFSPDTLKLLEAK
GQKVALKEAMGSTQSIMVGPDGELYGASDPRSVDDLTAGY
Ligand information
Ligand IDAVN
InChIInChI=1S/C5H7ClN2O3/c6-3-1-2(11-8-3)4(7)5(9)10/h2,4H,1,7H2,(H,9,10)/t2-,4-/m0/s1
InChIKeyQAWIHIJWNYOLBE-OKKQSCSOSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C(ON=C1Cl)C(C(=O)O)N
CACTVS 3.341N[C@@H]([C@@H]1CC(=NO1)Cl)C(O)=O
OpenEye OEToolkits 1.5.0C1[C@H](ON=C1Cl)[C@@H](C(=O)O)N
CACTVS 3.341N[CH]([CH]1CC(=NO1)Cl)C(O)=O
ACDLabs 10.04ClC1=NOC(C(C(=O)O)N)C1
FormulaC5 H7 Cl N2 O3
Name(2S)-AMINO[(5S)-3-CHLORO-4,5-DIHYDROISOXAZOL-5-YL]ACETIC ACID;
ACIVICIN
ChEMBLCHEMBL1231101
DrugBank
ZINCZINC000003871381
PDB chain2z8k Chain D Residue 390 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2z8k Crystal structures of Escherichia coli gamma-glutamyltranspeptidase in complex with azaserine and acivicin: novel mechanistic implication for inhibition by glutamine antagonists
Resolution1.65 Å
Binding residue
(original residue number in PDB)		T391 N411 D433 Y444 S462 S463 G484
Binding residue
(residue number reindexed from 1)		T1 N21 D43 Y54 S72 S73 G94
Annotation score1
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

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Molecular Function
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Biological Process
External links
PDB RCSB:2z8k, PDBe:2z8k, PDBj:2z8k
PDBsum2z8k
PubMed18555071
UniProtP18956|GGT_ECOLI Glutathione hydrolase proenzyme (Gene Name=ggt)

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