Structure of PDB 5lrr Chain H Binding Site BS01

Receptor Information

>5lrr Chain H (length=229) Species: 1639 (Listeria monocytogenes)

NAQAEEFKKYLETNGIKPKQFHKKELIFNQWDPQEYCIFLYDGITKLTSI
SENGTIMNLQYYKGAFVIMSGFIDTETSVGYYNLEVISEQATAYVIKINE
LKELLSKNLTHFFYVFQTLQKQVSYSLAKFNDFSINGKLGSICGQLLILT
YVYGKETPDGIKITLDNLTMQELGYSAVSRIISKLKQEKVIVYKNSCFYV
QNLDYLKRYAPKLDEWFYLACPATWGKLN

Ligand information

• Ligand ID: GSH
• InChI: InChI=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
• InChIKey: RWSXRVCMGQZWBV-WDSKDSINSA-N
• SMILES:
  ACDLabs 12.01: O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)N)CS
  OpenEye OEToolkits 1.7.6: C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
  CACTVS 3.370: N[CH](CCC(=O)N[CH](CS)C(=O)NCC(O)=O)C(O)=O
  CACTVS 3.370: N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
  OpenEye OEToolkits 1.7.6: C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N
• Formula: C10 H17 N3 O6 S
• Name: GLUTATHIONE
• ChEMBL: CHEMBL1543
• DrugBank: DB00143
• ZINC: ZINC000003830891
• PDB chain: 5lrr Chain H Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5lrr Structural basis for glutathione-mediated activation of the virulence regulatory protein PrfA in Listeria.
• Resolution: 2.171 Å
• Binding residue (original residue number in PDB): Y62 Y63 K64 G65 A66 F67 Y126 I149
• Binding residue (residue number reindexed from 1): Y61 Y62 K63 G64 A65 F66 Y125 I148
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0003677 DNA binding
• GO:0003700 DNA-binding transcription factor activity

Biological Process

• GO:0006355 regulation of DNA-templated transcription

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:5lrr, PDBe:5lrr, PDBj:5lrr
• PDBsum: 5lrr
• PubMed: 27930316
• UniProt: P22262|PRFA_LISMO Listeriolysin regulatory protein (Gene Name=prfA)