PPIRE18477

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 HOXA1tDP
Peptide_Sequence AQTFPWMKVKRN
Peptide_Length 12
Peptide_SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O)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 1505.80
Aliphatic_Index 32.50000
Aromaticity 0.16667
Average_Rotatable_Bonds 4.00000
Charge_at_pH_7 2.99739
Isoelectric_Point 11.82306
Number_of_Hydrogen_Bond_Acceptors 20
Number_of_Hydrogen_Bond_Donors 21
Topological_Polar_Surface_Area 610.77000
X_logP_energy -4.32403
Interaction Information
Affinity KD=100 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