PPIRE13104

Target Protein Information
Protein_Name MAPK phosphothreonine lyase
Protein_Sequence MPINRPNLNLNIPPLNIVAAYDGAEIPSTNKHLKNNFNSLHNQMRKMPVSHFKEALDVPDYSGMRQSGFFAMSQGFQLNNHGYDVFIHARRESPQSQGKFAGDKFHISVLRDMVPQAFQALSGLLFSEDSPVDKWKVTDMEKVVQQARVSLGAQFTLYIKPDQENSQYSASFLHKTRQFIECLESRLSENGVISGQCPESDVHPENWKYLSYRNELRSGRDGGEMQRQALREEPFYRLMTE
Organism_Source Salmonella dublin
Functional_Classification lyases
Cellular_Localization Cytoplasm
Gene_Names spvC
UniProt_ID P0A2N0
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Erk5 phosphopeptide
Peptide_Sequence EHQYFMpTEpYVATR
Peptide_Length 15
Peptide_SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)O
Chemical_Modification T7=phosphothreonine; Y9=phosphotyrosine
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1869.08
Aliphatic_Index 26.00000
Aromaticity 0.20000
Average_Rotatable_Bonds 3.60000
Charge_at_pH_7 -0.90926
Isoelectric_Point 5.49296
Number_of_Hydrogen_Bond_Acceptors 26
Number_of_Hydrogen_Bond_Donors 25
Topological_Polar_Surface_Area 742.33000
X_logP_energy -5.24803
Interaction Information
Affinity KD=102 mM
Affinity_Assay Isothermal titration calorimetry
PDB_ID 2Q8Y
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title Structural insights into the enzymatic mechanism of the pathogenic MAPK phosphothreonine lyase.
Release_Year 2007
PMID 18060821
DOI 10.1016/j.molcel.2007.11.011