PPIRE13887

Target Protein Information
Protein_Name NEDD8-activating enzyme E1 catalytic subunit
Protein_Sequence MADGEEPEKKRRRIEELLAEKMAVDGGCGDTGDWEGRWNHVKKFLERSGPFTHPDFEPSTESLQFLLDTCKVLVIGAGGLGCELLKNLALSGFRQIHVIDMDTIDVSNLNRQFLFRPKDIGRPKAEVAAEFLNDRVPNCNVVPHFNKIQDFNDTFYRQFHIIVCGLDSIIARRWINGMLISLLNYEDGVLDPSSIVPLIDGGTEGFKGNARVILPGMTACIECTLELYPPQVNFPMCTIASMPRLPEHCIEYVRMLQWPKEQPFGEGVPLDGDDPEHIQWIFQKSLERASQYNIRGVTYRLTQGVVKRIIPAVASTNAVIAAVCATEVFKIATSAYIPLNNYLVFNDVDGLYTYTFEAERKENCPACSQLPQNIQFSPSAKLQEVLDYLTNSASLQMKSPAITATLEGKNRTLYLQSVTSIEERTRPNLSKTLKELGLVDGQELAVADVTTPQTVLFKLHFTS
Organism_Source Homo sapiens
Functional_Classification ubiquitin-like protein activating enzymes
Cellular_Localization Cytoplasm
Gene_Names UBA3
UniProt_ID Q8TBC4
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Ubc12N26
Peptide_Sequence MIKLFSLKQQKKEEESAGGTKGSSKK
Peptide_Length 26
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2868.34
Aliphatic_Index 48.84615
Aromaticity 0.03846
Average_Rotatable_Bonds 4.23077
Charge_at_pH_7 4.00124
Isoelectric_Point 10.67716
Number_of_Hydrogen_Bond_Acceptors 45
Number_of_Hydrogen_Bond_Donors 44
Topological_Polar_Surface_Area 1272.19000
X_logP_energy -15.05510
Interaction Information
Affinity Ki=22 uM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID 1TT5
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title A unique E1-E2 interaction required for optimal conjugation of the ubiquitin-like protein NEDD8.
Release_Year 2004
PMID 15361859
DOI 10.1038/nsmb826