PPIRE01296

Target Protein Information
Protein_Name Trypsin
Protein_Sequence FPTDDDDKIVGGYTCAANSIPYQVSLNSGSHFCGGSLINSQWVVSAAHCYKSRIQVRLGEHNIDVLEGNEQFINAAKIITHPNFNGNTLDNDIMLIKLSSPATLNSRVATVSLPRSCAAAGTECLISGWGNTKSSGSSYPSLLQCLKAPVLSDSSCKSSYPGQITGNMICVGFLEGGKDSCQGDSGGPVVCNGQLQGIVSWGYGCAQKNKPGVYTKVCNYVNWIQQTIAAN
Organism_Source Sus scrofa
Functional_Classification serine proteases
Cellular_Localization extracellular
Gene_Names None
UniProt_ID P00761
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name 1/2SLPI
Peptide_Sequence RSDCKNKTVHIPYSIITGCINTTMKNGEDVVKVLCEIVKDDSGIIQANL
Peptide_Length 49
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)O)C(C)C)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(C)C)C(C)C)C(C)C)[C@@H](C)CC)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 5378.23
Aliphatic_Index 103.26531
Aromaticity 0.02041
Average_Rotatable_Bonds 3.77551
Charge_at_pH_7 -0.09402
Isoelectric_Point 7.18108
Number_of_Hydrogen_Bond_Acceptors 80
Number_of_Hydrogen_Bond_Donors 80
Topological_Polar_Surface_Area 2273.10000
X_logP_energy -24.95563
Interaction Information
Affinity Ki=140 nM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID 4DOQ
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Structure basis 1/2SLPI and porcine pancreas trypsin interaction.
Release_Year 2013
PMID 24121345
DOI 10.1107/S090904951302133X