PPIRE13119

Target Protein Information
Protein_Name 2,3-bisphosphoglycerate-independent phosphoglycerate mutase
Protein_Sequence MFVALGAQIYRQYFGRRGMAMANNSSVANKVCLIVIDGWGVSEDPYGNAILNAQTPVMDKLCSGNWAQIEAHGLHVGLPEGLMGNSEVGHLNIGAGRVIYQDIVRINLAVKNNKFVTNESLVDACDRAKNGNGRLHLAGLVSDGGVHSHIDHMFALVKAIKELGVPELYLHFYGDGRDTSPNSGVGFLEQTLEFLEKTTGYGKLATVVGRYYAMDRDNRWERINVAYEAMIGGVGETSDEAGVVEVVRKRYAADETDEFLKPIILQGEKGRVQNDDTIIFFDYRADRMREISAAMGMDRYKDCNSKLAHPSNLQVYGMTQYKAEFPFKSLFPPASNKNVLAEWLAEQKVSQFHCAETEKYAHVTFFFNGGLEKQFEGEERCLVPSPKVATYDLQPEMSAAGVADKMIEQLEAGTHPFIMCNFAPPDMVGHTGVYEAAVKACEATDIAIGRIYEATQKHGYSLMVTADHGNAEKMKAPDGGKHTAHTCYRVPLTLSHPGFKFVDPADRHPALCDVAPTVLAIMGLPQPAEMTGVSIVQKI
Organism_Source Caenorhabditis elegans
Functional_Classification isomerases
Cellular_Localization Cytoplasm
Gene_Names ipgm-1
UniProt_ID G5EFZ1
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name ipglycermide A
Peptide_Sequence DYDYPGDHCYLYGTCG
Peptide_Length 16
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C)O
Chemical_Modification None
Cyclization_Method Main chain-side chain cyclization; Y1<->C9; other bond
Linear/Cyclic Cyclic
N-terminal_Modification Acetyl
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1841.94
Aliphatic_Index 24.37500
Aromaticity 0.25000
Average_Rotatable_Bonds 3.18750
Charge_at_pH_7 -3.03712
Isoelectric_Point 3.82515
Number_of_Hydrogen_Bond_Acceptors 28
Number_of_Hydrogen_Bond_Donors 27
Topological_Polar_Surface_Area 732.76000
X_logP_energy -6.45970
Interaction Information
Affinity IC50=12 nM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Macrocycle peptides delineate locked-open inhibition mechanism for microorganism phosphoglycerate mutases.
Release_Year 2017
PMID 28368002
DOI 10.1038/ncomms14932