PPIRE01241

Target Protein Information
Protein_Name None
Protein_Sequence MLKRHFPLLMTILVFIAGYLFCLSQFPGFASTRVFFDLLTDNAFLGIVAVGMTFVILSGGIDLSVGSVIAFTGVLLAKLIGTYGIDPFFAFTIALVMGAMFGGVMGWIIDTLKLPAFIITLAGMFFVRGMSFIVSQESIPIDHPVYSQLAGLAWRMPDGGRFTFLALIMLVVVLLGIVMAHRTRFGNRVYAIGGNSYSAELMGVPVRRTTIQIYMLSSTLAVLSGIVFSLYTSAGYALAASGVELDAIAAVVIGGTLLTGGVGTVLGTLFGVLIQGLIQTYITFDGTLSSWWTKIVIGFLLFAFIGLQKALSTFWLARRA
Organism_Source Pectobacterium carotovorum subsp. carotovorum (strain PC1)
Functional_Classification proteases
Cellular_Localization Extracellular
Gene_Names None
UniProt_ID C6DHH8
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Plant ferredoxin
Peptide_Sequence MSKTEWFKADRDFEVKKLAPSLGLAVGASGKGYFSQNLAEGLKEFDKDHPGADILDRHVIDGCVNARCKNFEGGRKVKIALSGQGDTFTEVFSEVLGK
Peptide_Length 98
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCSC)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)CC)C(C)C)[C@@H](C)CC)C(C)C)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 10679.10
Aliphatic_Index 72.65306
Aromaticity 0.09184
Average_Rotatable_Bonds 3.74490
Charge_at_pH_7 0.06774
Isoelectric_Point 7.41818
Number_of_Hydrogen_Bond_Acceptors 149
Number_of_Hydrogen_Bond_Donors 155
Topological_Polar_Surface_Area 4452.66000
X_logP_energy -45.23642
Interaction Information
Affinity KD=1.73 uM
Affinity_Assay Isothermal titration calorimetry
PDB_ID 6B05
Type substrate
Structure
Reference Information
Document_Type Research Articles
Title A potent and highly specific FN3 monobody inhibitor of the Abl SH2 domain.
Release_Year 2018
PMID 20357770
DOI 10.1038/nsmb.1793