Structure of PDB 1pea Chain A Binding Site BS01

Receptor Information

>1pea Chain A (length=368) Species: 287 (Pseudomonas aeruginosa)

PLIGLLFSETGVTADIERSQRYGALLAVEQLNREGGVGGRPIETLSQDPG
GDPDRYRLCAEDFIRNRGVRFLVGCYMSHTRKAVMPVVERADALLCYPTP
YEGFEYSPNIVYGGPAPNQNSAPLAAYLIRHYGERVVFIGSDYIYPRESN
HVMRHLYRQHGGTVLEEIYIPLYPSDDDLQRAVERIYQARADVVFSTVVG
TGTAELYRAIARRYGDGRRPPIASLTTSEAEVAKMESDVAEGQVVVAPYF
SSIDTPASRAFVQACHGFFPENATITAWAEAAYWQTLLLGRAAQAAGNWR
VEDVQRHLYDIDIDAPQGPVRVERQNNHSRLSSRIAEIDARGVFQVRWQS
PEPIRPDPYVVVHNLDDW

Ligand information

• Ligand ID: ACM
• InChI: InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)
• InChIKey: DLFVBJFMPXGRIB-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04: O=C(N)C
  CACTVS 3.341: CC(N)=O
  OpenEye OEToolkits 1.5.0: CC(=O)N
• Formula: C2 H5 N O
• Name: ACETAMIDE
• ChEMBL: CHEMBL16081
• DrugBank: DB02736
• ZINC: ZINC000008034818
• PDB chain: 1pea Chain A Residue 386

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1pea Crystal structure of AmiC: the controller of transcription antitermination in the amidase operon of Pseudomonas aeruginosa.
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): Y83 M84 S85 P107 Y150 Y152
• Binding residue (residue number reindexed from 1): Y76 M77 S78 P100 Y143 Y145
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0016301 kinase activity
• GO:0033218 amide binding

Biological Process

• GO:0006865 amino acid transport
• GO:0016310 phosphorylation
• GO:0034251 regulation of amide catabolic process

External links

• PDB: RCSB:1pea, PDBe:1pea, PDBj:1pea
• PDBsum: 1pea
• PubMed: 7813419
• UniProt: P27017|AMIC_PSEAE Aliphatic amidase expression-regulating protein (Gene Name=amiC)