Structure of PDB 8c7u Chain A Binding Site BS03

Receptor Information

>8c7u Chain A (length=261) Species: 226185 (Enterococcus faecalis V583)

AMATLLEKTRQVNELLQKNNLFDVQAELPYNKMAMILGDILESNAYIISS
SGDLLGYTEKLDVNNARIKNMFKEKKFPQGYTEAVDMLKVTEANIPIDSD
LTAFPFESRELYPFGLTTIVPLYGAGKRLGTIILARVEKSFNEDDLVLAE
YSATVVGMQILYHQSRTIEAEVRSATAVQMAINTLSYSELKAVHAIFEAL
DGEEGRLTASSIADEIGITRSVIVNALRKLESAGIIESRSLGMKGTYLKV
LNQQFIKELEK

Ligand information

• Ligand ID: LEU
• InChI: InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
• InChIKey: ROHFNLRQFUQHCH-YFKPBYRVSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: CC(C)C[C@@H](C(=O)O)N
  CACTVS 3.341: CC(C)C[C@H](N)C(O)=O
  OpenEye OEToolkits 1.5.0: CC(C)CC(C(=O)O)N
  ACDLabs 10.04: O=C(O)C(N)CC(C)C
  CACTVS 3.341: CC(C)C[CH](N)C(O)=O
• Formula: C6 H13 N O2
• Name: LEUCINE
• ChEMBL: CHEMBL291962
• DrugBank: DB00149
• ZINC: ZINC000003645145
• PDB chain: 8c7u Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8c7u Structural insights into CodY activation and DNA recognition.
• Resolution: 3.15 Å
• Binding residue (original residue number in PDB): R66 M70 Y80 A102 F103 P104 F105
• Binding residue (residue number reindexed from 1): R67 M71 Y81 A103 F104 P105 F106
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0003677 DNA binding
• GO:0003700 DNA-binding transcription factor activity
• GO:0005525 GTP binding

Biological Process

• GO:0006355 regulation of DNA-templated transcription
• GO:0045892 negative regulation of DNA-templated transcription

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:8c7u, PDBe:8c7u, PDBj:8c7u
• PDBsum: 8c7u
• PubMed: 37326020
• UniProt: Q834K5