PPIRE13327

Target Protein Information
Protein_Name Carbonic anhydrase 2
Protein_Sequence MSHHWGYGKHNGPEHWHKDFPIANGERQSPVDIDTKAVVQDPALKPLALVYGEATSRRMVNNGHSFNVEYDDSQDKAVLKDGPLTGTYRLVQFHFHWGSSDDQGSEHTVDRKKYAAELHLVHWNTKYGDFGTAAQQPDGLAVVGVFLKVGDANPALQKVLDALDSIKTKGKSTDFPNFDPGSLLPNVLDYWTYPGSLTTPPLLESVTWIVLKEPISVSSQQMLKFRTLNFNAEGEPELLMLANWRPAQPLKNRQVRGFPK
Organism_Source Bos taurus
Functional_Classification carbonic anhydrases
Cellular_Localization Cytoplasm
Gene_Names CA2
UniProt_ID P00921
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Alamethicin-sulfonamide
Peptide_Sequence XPXAXAQXVXGLXPVXXEQX
Peptide_Length 20
Peptide_SMILES CC(C)C[C@H](NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CN)C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)O)C(C)C
Chemical_Modification X1=alpha-aminoisobutyric acid; X3=alpha-aminoisobutyric acid; X5=alpha-aminoisobutyric acid; X8=alpha-aminoisobutyric acid; X10=alpha-aminoisobutyric acid; X13=alpha-aminoisobutyric acid; X16=alpha-aminoisobutyric acid; X17=alpha-aminoisobutyric acid; X20=phenylalaninol
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Acetyl
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1621.73
Aliphatic_Index 58.50000
Aromaticity 0.00000
Average_Rotatable_Bonds 2.50000
Charge_at_pH_7 -1.00024
Isoelectric_Point 3.84998
Number_of_Hydrogen_Bond_Acceptors 24
Number_of_Hydrogen_Bond_Donors 22
Topological_Polar_Surface_Area 722.12000
X_logP_energy -12.27040
Interaction Information
Affinity KD=1.5 uM
Affinity_Assay planar lipid bilayer recording
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Using ion channel-forming peptides to quantify protein-ligand interactions.
Release_Year 2008
PMID 18179217
DOI 10.1021/ja077555f