PPIRE09491

Target Protein Information
Protein_Name Protein AF-9
Protein_Sequence MASSCAVQVKLELGHRAQVRKKPTVEGFTHDWMVFVRGPEHSNIQHFVEKVVFHLHESFPRPKRVCKDPPYKVEESGYAGFILPIEVYFKNKEEPRKVRFDYDLFLHLEGHPPVNHLRCEKLTFNNPTEDFRRKLLKAGGDPNRSIHTSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSTSFSKPHKLMKEHKEKPSKDSREHKSAFKEPSRDHNKSSKESSKKPKENKPLKEEKIVPKMAFKEPKPMSKEPKPDSNLLTITSGQDKKAPSKRPPISDSEELSAKKRKKSSSEALFKSFSSAPPLILTCSADKKQIKDKSHVKMGKVKIESETSEKKKSTLPPFDDIVDPNDSDVEENISSKSDSEQPSPASSSSSSSSSFTPSQTRQQGPLRSIMKDLHSDDNEEESDEVEDNDNDSEMERPVNRGGSRSRRVSLSDGSDSESSSASSPLHHEPPPPLLKTNNNQILEVKSPIKQSKSDKQIKNGECDKAYLDELVELHRRLMTLRERHILQQIVNLIEETGHFHITNTTFDFDLCSLDKTTVRKLQSYLETSGTS
Organism_Source Homo sapiens
Functional_Classification histone crotonylation readers
Cellular_Localization Nucleus
Gene_Names MLLT3
UniProt_ID P42568
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name XL-13
Peptide_Sequence KQTARXSTGG
Peptide_Length 10
Peptide_SMILES C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)O)[C@@H](C)O
Chemical_Modification X6=5-oxazolecarbonyl
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 962.03
Aliphatic_Index 10.00000
Aromaticity 0.00000
Average_Rotatable_Bonds 3.30000
Charge_at_pH_7 1.99769
Isoelectric_Point 11.65178
Number_of_Hydrogen_Bond_Acceptors 17
Number_of_Hydrogen_Bond_Donors 19
Topological_Polar_Surface_Area 516.92000
X_logP_energy -9.91273
Interaction Information
Affinity KD=1 uM
Affinity_Assay Isothermal titration calorimetry
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Structure-guided development of YEATS domain inhibitors by targeting Pi-Pi-Pi stacking.
Release_Year 2018
PMID 30374167
DOI 10.1038/s41589-018-0144-y