PPIRE14010

Target Protein Information
Protein_Name Cuticle-degrading protease
Protein_Sequence MHLSALLTLLPAVLAAPATIGRRAEPAPLFTPQAESIIADKYIVKFKDDIARIATDDTVSALTSKADFVYEHAFHGFAGSLTKEELKMLREHPGVDFIEKDAVMRISGITEQSGAPWGLGRISHRSKGSTTYRYDDSAGQGTCVYIIDTGIEASHPEFEGRATFLKSFISGQNTDGHGHGTHCAGTIGSKTYGVAKKAKLYGVKVLDNQGSGSYSGIISGMDYVAQDSKTRGCPNGAIASMSLGGGYSASVNQGAAALVNSGVFLAVAAGNDNRDAQNTSPASEPSACTVGASAENDSRSSFSNYGRVVDIFAPGSNVLSTWIVGRTNSISGTSMATPHIAGLAAYLSALQGKTTPAALCKKIQDTATKNVLTGVPSGTVNYLAYNGA
Organism_Source Metarhizium anisopliae
Functional_Classification serine proteases
Cellular_Localization Extracellular
Gene_Names PR1
UniProt_ID P29138
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name SFTI-Mut
Peptide_Sequence GRCTRGRGLACFD
Peptide_Length 13
Peptide_SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)O
Chemical_Modification None
Cyclization_Method Side chain-side chain cyclization; C3<->C11; disulfide bond
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1411.62
Aliphatic_Index 37.69231
Aromaticity 0.07692
Average_Rotatable_Bonds 3.53846
Charge_at_pH_7 1.87447
Isoelectric_Point 8.83478
Number_of_Hydrogen_Bond_Acceptors 21
Number_of_Hydrogen_Bond_Donors 27
Topological_Polar_Surface_Area 655.75000
X_logP_energy -9.07629
Interaction Information
Affinity Ki=19.5 uM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Validation of phage display method for protease inhibitor selection using synthetic hybrid peptides.
Release_Year 2010
PMID 20615196
DOI 10.2174/138620710792927394