Structure of PDB 4pnc Chain A Binding Site BS03

Receptor Information

>4pnc Chain A (length=262) Species: 562 (Escherichia coli)

AISIKTPEDIEKMRVAGRLAAEVLEMIEPYVKPGVSTGELDRICNDYIVN
EQHAVSACLGYHGYPKSVCISINEVVCHGIPDDAKLLKDGDIVNIDVTVI
KDGFHGDTSKMFIVGKPTIMGERLCRITQESLYLALRMVKPGINLREIGA
AIQKFVEAEGFSVVREYCGHGIGQGFHEEPQVLHYDSRETNVVLKPGMTF
TIEPMVNAGKKEIRTMKDGWTVKTKDRSLSAQYEHTIVVTDNGCEILTLR
KDDTIPAIISHD

Ligand information

• Ligand ID: CO
• InChI: InChI=1S/Co/q+2
• InChIKey: XLJKHNWPARRRJB-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Co+2]
  CACTVS 3.341: [Co++]
• Formula: Co
• Name: COBALT (II) ION
• DrugBank: DB14205
• PDB chain: 4pnc Chain A Residue 303

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4pnc Beta-aminoketones as prodrugs for selective irreversible inhibitors of type-1 methionine aminopeptidases.
• Resolution: 1.54 Å
• Binding residue (original residue number in PDB): D108 H171 T202 E204 E235
• Binding residue (residue number reindexed from 1): D107 H170 T201 E203 E234
• Annotation score: 3

Enzymatic activity

• Catalytic site (original residue number in PDB): H79 D97 D108 H171 Q175 H178 Q182 E204 N208 Q233 E235
• Catalytic site (residue number reindexed from 1): H78 D96 D107 H170 Q174 H177 Q181 E203 N207 Q232 E234
• Enzyme Commision number: 3.4.11.18: methionyl aminopeptidase.

Gene Ontology

Molecular Function

• GO:0004177 aminopeptidase activity
• GO:0004239 initiator methionyl aminopeptidase activity
• GO:0008235 metalloexopeptidase activity
• GO:0046872 metal ion binding
• GO:0046914 transition metal ion binding
• GO:0070006 metalloaminopeptidase activity

Biological Process

• GO:0006508 proteolysis

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:4pnc, PDBe:4pnc, PDBj:4pnc
• PDBsum: 4pnc
• PubMed: 25293447
• UniProt: C3TPN7