PPIRE12107
Target Protein Information
| Protein_Name | Protein CBFA2T1 |
|---|---|
| Protein_Sequence | MISVKRNTWRALSLVIGDCRKKGNFEYCQDRTEKHSTMPDSPVDVKTQSRLTPPTMPPPPTTQGAPRTSSFTPTTLTNGTSHSPTALNGAPSPPNGFSNGPSSSSSSSLANQQLPPACGARQLSKLKRFLTTLQQFGNDISPEIGERVRTLVLGLVNSTLTIEEFHSKLQEATNFPLRPFVIPFLKANLPLLQRELLHCARLAKQNPAQYLAQHEQLLLDASTTSPVDSSELLLDVNENGKRRTPDRTKENGFDREPLHSEHPSKRPCTISPGQRYSPNNGLSYQPNGLPHPTPPPPQHYRLDDMAIAHHYRDSYRHPSHRDLRDRNRPMGLHGTRQEEMIDHRLTDREWAEEWKHLDHLLNCIMDMVEKTRRSLTVLRRCQEADREELNYWIRRYSDAEDLKKGGGSSSSHSRQQSPVNPDPVALDAHREFLHRPASGYVPEEIWKKAEEAVNEVKRQAMTELQKAVSEAERKAHDMITTERAKMERTVAEAKRQAAEDALAVINQQEDSSESCWNCGRKASETCSGCNTARYCGSFCQHKDWEKHHHICGQTLQAQQQGDTPAVSSSVTPNSGAGSPMDTPPAATPRSTTPGTPSTIETTPR |
| Organism_Source | Homo sapiens |
| Functional_Classification | zinc-finger proteins |
| Cellular_Localization | Nucleus |
| Gene_Names | RUNX1T1 |
| UniProt_ID | Q06455 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | SMRT_1101-1113 |
|---|---|
| Peptide_Sequence | YGTISNPPPLISSAK |
| Peptide_Length | 15 |
| Peptide_SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)O |
| Chemical_Modification | None |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Free |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 1544.77 |
|---|---|
| Aliphatic_Index | 84.66667 |
| Aromaticity | 0.06667 |
| Average_Rotatable_Bonds | 2.93333 |
| Charge_at_pH_7 | 0.99684 |
| Isoelectric_Point | 9.29830 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 23 |
| Number_of_Hydrogen_Bond_Donors | 20 |
| Topological_Polar_Surface_Area | 614.61000 |
| X_logP_energy | -7.19590 |
Interaction Information
| Affinity | KD=109.4 uM |
|---|---|
| Affinity_Assay | Isothermal titration calorimetry |
| PDB_ID | 2ODD |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Structural basis for recognition of SMRT/N-CoR by the MYND domain and its contribution to AML1/ETO's activity. |
| Release_Year | 2007 |
| PMID | 17560331 |
| DOI | 10.1016/j.ccr.2007.04.010 |