PPIRE18474

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 HOXA1
Peptide_Sequence AQTFDWMKVKRNPPKTGKV
Peptide_Length 19
Peptide_SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=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)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)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 2231.64
Aliphatic_Index 35.78947
Aromaticity 0.10526
Average_Rotatable_Bonds 3.84211
Charge_at_pH_7 3.99725
Isoelectric_Point 11.24819
Number_of_Hydrogen_Bond_Acceptors 31
Number_of_Hydrogen_Bond_Donors 31
Topological_Polar_Surface_Area 915.25000
X_logP_energy -8.02333
Interaction Information
Affinity KD=10 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