PPIRE13214

Target Protein Information
Protein_Name N-lysine methyltransferase SMYD2
Protein_Sequence MRAEGLGGLERFCSPGKGRGLRALQPFQVGDLLFSCPAYAYVLTVNERGNHCEYCFTRKEGLSKCGRCKQAFYCNVECQKEDWPMHKLECSPMVVFGENWNPSETVRLTARILAKQKIHPERTPSEKLLAVKEFESHLDKLDNEKKDLIQSDIAALHHFYSKHLGFPDNDSLVVLFAQVNCNGFTIEDEELSHLGSAIFPDVALMNHSCCPNVIVTYKGTLAEVRAVQEIKPGEEVFTSYIDLLYPTEDRNDRLRDSYFFTCECQECTTKDKDKAKVEIRKLSDPPKAEAIRDMVRYARNVIEEFRRAKHYKSPSELLEICELSQEKMSSVFEDSNVYMLHMMYQAMGVCLYMQDWEGALQYGQKIIKPYSKHYPLYSLNVASMWLKLGRLYMGLEHKAAGEKALKKAIAIMEVAHGKDHPYISEIKQEIESH
Organism_Source Homo sapiens
Functional_Classification protein lysine methyltransferase
Cellular_Localization Nucleus
Gene_Names SMYD2
UniProt_ID Q9NRG4
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name p53(361-380)peptide
Peptide_Sequence GSRAHSSHLKSKKGQSTSRH
Peptide_Length 20
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O)[C@@H](C)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2176.38
Aliphatic_Index 24.50000
Aromaticity 0.00000
Average_Rotatable_Bonds 3.85000
Charge_at_pH_7 5.26982
Isoelectric_Point 12.54608
Number_of_Hydrogen_Bond_Acceptors 37
Number_of_Hydrogen_Bond_Donors 41
Topological_Polar_Surface_Area 1088.82000
X_logP_energy -18.65066
Interaction Information
Affinity KD=3.7 mM
Affinity_Assay Isothermal titration calorimetry
PDB_ID 3S7F
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title Structural basis of substrate methylation and inhibition of SMYD2.
Release_Year 2011
PMID 21782458
DOI 10.1016/j.str.2011.06.011