Structure of PDB 4z04 Chain A Binding Site BS01

Receptor Information
>4z04 Chain A (length=124) Species: 359391 (Brucella abortus 2308) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMLDHIGFNIADMKKSRAFYDAALSPLGIGHAMEFGDWVGYGRNGKPEFW
IGAQKGAKLEGVLHVAFSAGTRSEVGRFYEAAIAAGGRDNGKPGLRPHYH
PDYYAAFVLDPDGHNIEVVCHLPE
Ligand information
Ligand IDGSH
InChIInChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
InChIKeyRWSXRVCMGQZWBV-WDSKDSINSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)N)CS
OpenEye OEToolkits 1.7.6C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.370N[CH](CCC(=O)N[CH](CS)C(=O)NCC(O)=O)C(O)=O
CACTVS 3.370N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N
FormulaC10 H17 N3 O6 S
NameGLUTATHIONE
ChEMBLCHEMBL1543
DrugBankDB00143
ZINCZINC000003830891
PDB chain4z04 Chain A Residue 200 [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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PDB4z04 Crystal structure of a probable lactoylglutathione lyase from Brucella melitensis in complex with glutathione
Resolution1.45 Å
Binding residue
(original residue number in PDB)		H63 N89 R95 Y98 F106
Binding residue
(residue number reindexed from 1)		H64 N90 R96 Y99 F107
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity

View graph for
Molecular Function
External links
PDB RCSB:4z04, PDBe:4z04, PDBj:4z04
PDBsum4z04
PubMed
UniProtQ2YLQ3

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