Structure of PDB 8c7s Chain A Binding Site BS04

Receptor Information

>8c7s Chain A (length=256) Species: 367830 (Staphylococcus aureus subsp. aureus USA300)

MSLLSKTRELNTLLQKHKGIAVDFKDVAQTISSVTVTNVFIVSRRGKILG
SSLNELLKSQRIIQMLEERHIPSEYTERLMEVKQTESNIDIDNVLTVFPP
ENRELFIDSRTTIFPILGGGERLGTLVLGRVHDDFNENDLVLGEYAATVI
GMEILREKHSEVEKEARDKAAITMAINSLSYSEKEAIEHIFEELGGTEGL
LIASKVADRVGITRSVIVNALRKLESAGVIESRSLGMKGTFIKVKKEKFL
DELEKS

Ligand information

• Ligand ID: ILE
• InChI: InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1
• InChIKey: AGPKZVBTJJNPAG-WHFBIAKZSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: CC[C@H](C)[C@@H](C(=O)O)N
  OpenEye OEToolkits 1.5.0: CCC(C)C(C(=O)O)N
  CACTVS 3.341: CC[CH](C)[CH](N)C(O)=O
  ACDLabs 10.04: O=C(O)C(N)C(C)CC
  CACTVS 3.341: CC[C@H](C)[C@H](N)C(O)=O
• Formula: C6 H13 N O2
• Name: ISOLEUCINE
• ChEMBL: CHEMBL1233584
• DrugBank: DB00167
• ZINC: ZINC000003581355
• PDB chain: 8c7s Chain A Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8c7s Structural insights into CodY activation and DNA recognition.
• Resolution: 3.05 Å
• Binding residue (original residue number in PDB): R61 T96 V97 F98
• Binding residue (residue number reindexed from 1): R61 T96 V97 F98
• 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:8c7s, PDBe:8c7s, PDBj:8c7s
• PDBsum: 8c7s
• PubMed: 37326020
• UniProt: Q2FHI3|CODY_STAA3 Global transcriptional regulator CodY (Gene Name=codY)