Structure of PDB 9atc Chain B Binding Site BS01

Receptor Information

>9atc Chain B (length=146) Species: 562 (Escherichia coli)

QVEAIKRGTVIDHIPAQIGFKLLSLFKLTETDQRITIGLNLPSGEMGRKD
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: 9atc Chain B Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 9atc Intersubunit hydrogen bond acts as a global molecular switch in Escherichia coli aspartate transcarbamoylase.
• Resolution: 2.4 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: 1

Enzymatic activity

• Enzyme Commision number: 2.1.3.2: aspartate carbamoyltransferase.

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:9atc, PDBe:9atc, PDBj:9atc
• PDBsum: 9atc
• PubMed: 9829701
• UniProt: P0A7F3|PYRI_ECOLI Aspartate carbamoyltransferase regulatory chain (Gene Name=pyrI)