Structure of PDB 9fdd Chain B Binding Site BS01

Receptor Information

>9fdd Chain B (length=324) Species: 570 (Klebsiella)

MKLQQLRYIVEVVNHNLNVSSTAEGLYTSQPGISKQVRMLEDELGIQIFA
RSGKHLTQVTPAGQEIIRIAREVLSKVDAIKSVAGEHTWPDKGSLYVATT
HTQARYALPGVIKGFIERYPRVSLHMHQGSPTQIAEAVSKGNADFAIATE
ALHLYDDLVMLPCYHWNRSIVVTPEHPLATKGSVSIEELAQYPLVTYTFG
FTGRSELDTAFNRAGLTPRIVFTATDADVIKTYVRLGLGVGVIASMAVDP
VSDPDLVKLDANGIFSHSTTKIGFRRSTFLRSYMYDFIQRFAPHLTRDVV
DTAVALRSNEDIEAMFKDIKLPEK

Ligand information

• Ligand ID: SAC
• InChI: InChI=1S/C5H9NO4/c1-3(8)6-4(2-7)5(9)10/h4,7H,2H2,1H3,(H,6,8)(H,9,10)/t4-/m0/s1
• InChIKey: JJIHLJJYMXLCOY-BYPYZUCNSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: CC(=O)N[C@@H](CO)C(=O)O
  OpenEye OEToolkits 1.5.0: CC(=O)NC(CO)C(=O)O
  CACTVS 3.341: CC(=O)N[C@@H](CO)C(O)=O
  ACDLabs 10.04: O=C(O)C(NC(=O)C)CO
  CACTVS 3.341: CC(=O)N[CH](CO)C(O)=O
• Formula: C5 H9 N O4
• Name: N-ACETYL-SERINE
• DrugBank: DB02340
• ZINC: ZINC000000158173
• PDB chain: 9fdd Chain B Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 9fdd The Structure of the LysR-type Transcriptional Regulator, CysB, Bound to the Inducer, N-acetylserine.
• Resolution: 2.8 Å
• Binding residue (original residue number in PDB): T100 T102 Q103 T149 E150 W166 Y197 M246
• Binding residue (residue number reindexed from 1): T100 T102 Q103 T149 E150 W166 Y197 M246
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0000976 transcription cis-regulatory region binding
• GO:0003677 DNA binding

Biological Process

• GO:0006355 regulation of DNA-templated transcription
• GO:0019344 cysteine biosynthetic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:9fdd, PDBe:9fdd, PDBj:9fdd
• PDBsum: 9fdd
• PubMed: 38976018
• UniProt: P45600|CYSB_KLEPN HTH-type transcriptional regulator CysB (Gene Name=cysB)