PPIRE01796

Target Protein Information
Protein_Name Integrin beta-6
Protein_Sequence MGIELLCLFFLFLGRNDHVQGGCALGGAETCEDCLLIGPQCAWCAQENFTHPSGVGERCDTPANLLAKGCQLNFIENPVSQVEILKNKPLSVGRQKNSSDIVQIAPQSLILKLRPGGAQTLQVHVRQTEDYPVDLYYLMDLSASMDDDLNTIKELGSRLSKEMSKLTSNFRLGFGSFVEKPVSPFVKTTPEEIANPCSSIPYFCLPTFGFKHILPLTNDAERFNEIVKNQKISANIDTPEGGFDAIMQAAVCKEKIGWRNDSLHLLVFVSDADSHFGMDSKLAGIVIPNDGLCHLDSKNEYSMSTVLEYPTIGQLIDKLVQNNVLLIFAVTQEQVHLYENYAKLIPGATVGLLQKDSGNILQLIISAYEELRSEVELEVLGDTEGLNLSFTAICNNGTLFQHQKKCSHMKVGDTASFSVTVNIPHCERRSRHIIIKPVGLGDALELLVSPECNCDCQKEVEVNSSKCHHGNGSFQCGVCACHPGHMGPRCECGEDMLSTDSCKEAPDHPSCSGRGDCYCGQCICHLSPYGNIYGPYCQCDNFSCVRHKGLLCGGNGDCDCGECVCRSGWTGEYCNCTTSTDSCVSEDGVLCSGRGDCVCGKCVCTNPGASGPTCERCPTCGDPCNSKRSCIECHLSAAGQAREECVDKCKLAGATISEEEDFSKDGSVSCSLQGENECLITFLITTDNEGKTIIHSINEKDCPKPPNIPMIMLGVSLAILLIGVVLLCIWKLLVSFHDRKEVAKFEAERSKAKWQTGTNPLYRGSTSTFKNVTYKHREKQKVDLSTDC
Organism_Source Homo sapiens
Functional_Classification Receptor
Cellular_Localization Plasma membrane
Gene_Names ITGB6
UniProt_ID P18564
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name DOTA-Integrin avb6 knottin
Peptide_Sequence GCILNGRTDLGTLLFRCRRDSDCPGACICRGNGYCG
Peptide_Length 36
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O
Chemical_Modification None
Cyclization_Method C2<->C23, C17<->C29, C27<->C35, side chain cyclization, disulfide bonds
Linear/Cyclic Cyclic
N-terminal_Modification Other
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 3837.42
Aliphatic_Index 67.77778
Aromaticity 0.05556
Average_Rotatable_Bonds 3.47222
Charge_at_pH_7 1.62661
Isoelectric_Point 8.11262
Number_of_Hydrogen_Bond_Acceptors 57
Number_of_Hydrogen_Bond_Donors 66
Topological_Polar_Surface_Area 1661.53000
X_logP_energy -22.39625
Interaction Information
Affinity Ki=9.46 nM
Affinity_Assay NMR chemical shift perturbation
PDB_ID None
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title SPECT/CT Imaging, Biodistribution and Radiation Dosimetry of a 177Lu-DOTA-Integrin AlphavBeta6 Cystine Knot Peptide in a Pancreatic Cancer Xenograft Model.
Release_Year 2021
PMID 34136410
DOI 10.3389/fonc.2021.684713