Structure of PDB 2ai8 Chain B Binding Site BS01

Receptor Information

>2ai8 Chain B (length=164) Species: 562 (Escherichia coli)

SVLQVLHIPDERLRKVAKPVEEVNAEIQRIVDDMFETMYAEEGIGLAATQ
VDIHQRIIVIDVSENRDERLVLINPELLEKSGETGIEEGCLSIPEQRALV
PRAEKVKIRALDRDGKPFELEADGLLAICIQHEMDHLVGKLFMDYLSPLK
QQRIRQKVEKLDRL

Ligand information

• Ligand ID: SB7
• InChI: InChI=1S/C10H15NO2/c12-9-11(13)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,12-13H,4,7-9H2
• InChIKey: GELOPWXSYZDPJT-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: c1ccc(cc1)CCCN(CO)O
  ACDLabs 10.04
  CACTVS 3.341: OCN(O)CCCc1ccccc1
• Formula: C10 H15 N O2
• Name: [HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL;
  SB-485345
• DrugBank: DB08523
• ZINC: ZINC000033821513
• PDB chain: 2ai8 Chain B Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2ai8 Structural Variation and inhibitor binding in polypeptide deformylase from four different bacterial species.
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): I44 G45 Q50 C90 L125 H132 E133 H136
• Binding residue (residue number reindexed from 1): I44 G45 Q50 C90 L125 H132 E133 H136
• Annotation score: 1
• Binding affinity: MOAD: ic50=0.16uM

Enzymatic activity

• Catalytic site (original residue number in PDB): G45 Q50 C90 L91 H132 E133 H136
• Catalytic site (residue number reindexed from 1): G45 Q50 C90 L91 H132 E133 H136
• Enzyme Commision number: 3.5.1.88: peptide deformylase.

Gene Ontology

Molecular Function

• GO:0005515 protein binding
• GO:0008198 ferrous iron binding
• GO:0008270 zinc ion binding
• GO:0016787 hydrolase activity
• GO:0042586 peptide deformylase activity
• GO:0043022 ribosome binding
• GO:0046872 metal ion binding

Biological Process

• GO:0006412 translation
• GO:0043686 co-translational protein modification

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:2ai8, PDBe:2ai8, PDBj:2ai8
• PDBsum: 2ai8
• PubMed: 12538898
• UniProt: P0A6K3|DEF_ECOLI Peptide deformylase (Gene Name=def)