PPIRE18475

Target Protein Information
Protein_Name Pre-B-cell leukemia transcription factor 1
Protein_Sequence MDEQPRLMHSHAGVGMAGHPGLSQHLQDGAGGTEGEGGRKQDIGDILQQIMTITDQSLDEAQARKHALNCHRMKPALFNVLCEIKEKTVLSIRGAQEEEPTDPQLMRLDNMLLAEGVAGPEKGGGSAAAAAAAAASGGAGSDNSVEHSDYRAKLSQIRQIYHTELEKYEQACNEFTTHVMNLLREQSRTRPISPKEIERMVSIIHRKFSSIQMQLKQSTCEAVMILRSRFLDARRKRRNFNKQATEILNEYFYSHLSNPYPSEEAKEELAKKCGITVSQVSNWFGNKRIRYKKNIGKFQEEANIYAAKTAVTATNVSAHGSQANSPSTPNSAGSSSSFNMSNSGDLFMSVQSLNGDSYQGAQVGANVQSQVDTLRHVISQTGGYSDGLAASQMYSPQGISANGGWQDATTPSSVTSPTEGPGSVHSDTSN
Organism_Source Homo sapiens
Functional_Classification homeodomain transcription factors
Cellular_Localization Nucleus
Gene_Names PBX1
UniProt_ID P40424
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name HOXD4
Peptide_Sequence AVVYPWMKKVHVNSVNPNY
Peptide_Length 19
Peptide_SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(C)C)C(C)C)C(C)C
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2245.63
Aliphatic_Index 81.57895
Aromaticity 0.15789
Average_Rotatable_Bonds 3.47368
Charge_at_pH_7 2.08660
Isoelectric_Point 9.93035
Number_of_Hydrogen_Bond_Acceptors 30
Number_of_Hydrogen_Bond_Donors 28
Topological_Polar_Surface_Area 856.01000
X_logP_energy -5.34700
Interaction Information
Affinity KD=30 uM
Affinity_Assay NMR chemical shift perturbation
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Conformational Changes in the PBX Homeodomain and C-Terminal Extension upon Binding DNA and HOX-Derived YPWM Peptides
Release_Year 2000
PMID 10933814
DOI 10.1021/bi0001067