Structure of PDB 5xlu Chain B Binding Site BS01

Receptor Information

>5xlu Chain B (length=182) Species: 1402 (Bacillus licheniformis)

TTHFTVTDQWGNVVSYTTTIEQLFGTGILVPGYGLFLNNELTDFDAIPGG
ANEVQPNKRPLSSMTPTIVFKDEKPVLTVGSPGGTTIIASVFQTILNYFE
YGMSLQDAIEEPRIYTNSLTSYRYESGMPEDVRRKLNDFGHKFGSNPVDI
GNVQSIFIDRENKTFMGVADSSRNGTAVGVNN

Ligand information

• Ligand ID: AVN
• InChI: InChI=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
• InChIKey: QAWIHIJWNYOLBE-OKKQSCSOSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C1C(ON=C1Cl)C(C(=O)O)N
  CACTVS 3.341: N[C@@H]([C@@H]1CC(=NO1)Cl)C(O)=O
  OpenEye OEToolkits 1.5.0: C1[C@H](ON=C1Cl)[C@@H](C(=O)O)N
  CACTVS 3.341: N[CH]([CH]1CC(=NO1)Cl)C(O)=O
  ACDLabs 10.04: ClC1=NOC(C(C(=O)O)N)C1
• Formula: C5 H7 Cl N2 O3
• Name: (2S)-AMINO[(5S)-3-CHLORO-4,5-DIHYDROISOXAZOL-5-YL]ACETIC ACID;
  ACIVICIN
• ChEMBL: CHEMBL1231101
• ZINC: ZINC000003871381
• PDB chain: 5xlu Chain B Residue 602

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5xlu High Resolution Crystal Structure of Bacillus Licheniformis Gamma Glutamyl Transpeptidase with Acivicin
• Resolution: 1.45 Å
• Binding residue (original residue number in PDB): T399 T417 E419 D441 S460 S461 G482 I485
• Binding residue (residue number reindexed from 1): T1 T19 E21 D43 S62 S63 G84 I87
• Annotation score: 1

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

External links

• PDB: RCSB:5xlu, PDBe:5xlu, PDBj:5xlu
• PDBsum: 5xlu
• UniProt: A9YTT0