Structure of PDB 1acm Chain D Binding Site BS01

Receptor Information

>1acm Chain D (length=146) Species: 83333 (Escherichia coli K-12)

GVEAIKRGTVIDHIPAQIGFKLLSLFKLTETDQRITIGLNLPSGEMGRKD
LIKIENTFLSEDQVDQLALYAPQATVNRIDNYEVVGKSRPSLPERIDNVL
VCPNSNCISHAEPVSSSFAVRKRANDIALKCKYCEKEFSHNVVLAN

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 1acm Chain D Residue 154

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1acm Arginine 54 in the active site of Escherichia coli aspartate transcarbamoylase is critical for catalysis: a site-specific mutagenesis, NMR, and X-ray crystallographic study.
• Resolution: 2.8 Å
• Binding residue (original residue number in PDB): C109 C114 C138 C141
• Binding residue (residue number reindexed from 1): C102 C107 C131 C134
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0005515 protein binding
• GO:0008270 zinc ion binding
• GO:0046872 metal ion binding

Biological Process

• GO:0006207 'de novo' pyrimidine nucleobase biosynthetic process
• GO:0006221 pyrimidine nucleotide biosynthetic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0009347 aspartate carbamoyltransferase complex

External links

• PDB: RCSB:1acm, PDBe:1acm, PDBj:1acm
• PDBsum: 1acm
• PubMed: 1303763
• UniProt: P0A7F3|PYRI_ECOLI Aspartate carbamoyltransferase regulatory chain (Gene Name=pyrI)