PPIRE09519

Target Protein Information
Protein_Name Adapter molecule crk
Protein_Sequence MAGNFDSEERSSWYWGRLSRQEAVALLQGQRHGVFLVRDSSTSPGDYVLSVSENSRVSHYIINSSGPRPPVPPSPAQPPPGVSPSRLRIGDQEFDSLPALLEFYKIHYLDTTTLIEPVSRSRQGSGVILRQEEAEYVRALFDFNGNDEEDLPFKKGDILRIRDKPEEQWWNAEDSEGKRGMIPVPYVEKYRPASASVSALIGGNQEGSHPQPLGGPEPGPYAQPSVNTPLPNLQNGPIYARVIQKRVPNAYDKTALALEVGELVKVTKINVSGQWEGECNGKRGHFPFTHVRLLDQQNPDEDFS
Organism_Source Homo sapiens
Functional_Classification adaptor proteins
Cellular_Localization Cytoplasm
Gene_Names CRK
UniProt_ID P46108
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Mutant 2
Peptide_Sequence LGPPSPIKMP
Peptide_Length 10
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)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 1036.30
Aliphatic_Index 78.00000
Aromaticity 0.00000
Average_Rotatable_Bonds 2.70000
Charge_at_pH_7 0.99769
Isoelectric_Point 9.70000
Number_of_Hydrogen_Bond_Acceptors 14
Number_of_Hydrogen_Bond_Donors 9
Topological_Polar_Surface_Area 336.31000
X_logP_energy -1.61570
Interaction Information
Affinity KD=64.6 uM
Affinity_Assay Surface plasmon resonance
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Structure-Based Identification, Characterization, and Disruption of Human Securin-Binding SH3 Domains in Lung Cancer.
Release_Year 2016
PMID 27210447
DOI 10.1080/07357907.2016.1183024