PPIRE01873

Target Protein Information
Protein_Name Membrane-bound transcription factor site-1 protease
Protein_Sequence MKLVNIWLLLLVVLLCGKKHLGDRLEKKSFEKAPCPGCSHLTLKVEFSSTVVEYEYIVAFNGYFTAKARNSFISSALKSSEVDNWRIIPRNNPSSDYPSDFEVIQIKEKQKAGLLTLEDHPNIKRVTPQRKVFRSLKYAESDPTVPCNETRWSQKWQSSRPLRRASLSLGSGFWHATGRHSSRRLLRAIPRQVAQTLQADVLWQMGYTGANVRVAVFDTGLSEKHPHFKNVKERTNWTNERTLDDGLGHGTFVAGVIASMRECQGFAPDAELHIFRVFTNNQVSYTSWFLDAFNYAILKKIDVLNLSIGGPDFMDHPFVDKVWELTANNVIMVSAIGNDGPLYGTLNNPADQMDVIGVGGIDFEDNIARFSSRGMTTWELPGGYGRMKPDIVTYGAGVRGSGVKGGCRALSGTSVASPVVAGAVTLLVSTVQKRELVNPASMKQALIASARRLPGVNMFEQGHGKLDLLRAYQILNSYKPQASLSPSYIDLTECPYMWPYCSQPIYYGGMPTVVNVTILNGMGVTGRIVDKPDWQPYLPQNGDNIEVAFSYSSVLWPWSGYLAISISVTKKAASWEGIAQGHVMITVASPAETESKNGAEQTSTVKLPIKVKIIPTPPRSKRVLWDQYHNLRYPPGYFPRDNLRMKNDPLDWNGDHIHTNFRDMYQHLRSMGYFVEVLGAPFTCFDASQYGTLLMVDSEEEYFPEEIAKLRRDVDNGLSLVIFSDWYNTSVMRKVKFYDENTRQWWMPDTGGANIPALNELLSVWNMGFSDGLYEGEFTLANHDMYYASGCSIAKFPEDGVVITQTFKDQGLEVLKQETAVVENVPILGLYQIPAEGGGRIVLYGDSNCLDDSHRQKDCFWLLDALLQYTSYGVTPPSLSHSGNRQRPPSGAGSVTPERMEGNHLHRYSKVLEAHLGDPKPRPLPACPRLSWAKPQPLNETAPSNLWKHQKLLSIDLDKVVLPNFRSNRPQVRPLSPGESGAWDIPGGIMPGRYNQEVGQTIPVFAFLGAMVVLAFFVVQINKAKSRPKRRKPRVKRPQLMQQVHPPKTPSV
Organism_Source Homo sapiens
Functional_Classification Enzyme
Cellular_Localization Plasma membrane
Gene_Names MBTPS1
UniProt_ID Q14703
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name III
Peptide_Sequence HSGSGRSVXGFES
Peptide_Length 13
Peptide_SMILES CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)O
Chemical_Modification X9=methylene?oxy pseudo bond
Cyclization_Method H1<->S13;main chain cyclization;amide bond
Linear/Cyclic Cyclic
N-terminal_Modification Other
C-terminal_Modification other
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1263.29
Aliphatic_Index 22.30769
Aromaticity 0.07692
Average_Rotatable_Bonds 3.15385
Charge_at_pH_7 0.09067
Isoelectric_Point 7.55131
Number_of_Hydrogen_Bond_Acceptors 21
Number_of_Hydrogen_Bond_Donors 23
Topological_Polar_Surface_Area 621.32000
X_logP_energy -11.29673
Interaction Information
Affinity Ki=93.46 uM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Novel circular, cyclic and acyclic Psi(CH(2)O)containing peptide inhibitors of SKI-1/S1P: synthesis, kinetic and biochemical evaluations.
Release_Year 2011
PMID 21568902
DOI 10.2174/092986711796011265