PPIRE07174

Target Protein Information
Protein_Name 72 kDa type IV collagenase
Protein_Sequence MEALMARGALTGPLRALCLLGCLLSHAAAAPSPIIKFPGDVAPKTDKELAVQYLNTFYGCPKESCNLFVLKDTLKKMQKFFGLPQTGDLDQNTIETMRKPRCGNPDVANYNFFPRKPKWDKNQITYRIIGYTPDLDPETVDDAFARAFQVWSDVTPLRFSRIHDGEADIMINFGRWEHGDGYPFDGKDGLLAHAFAPGTGVGGDSHFDDDELWTLGEGQVVRVKYGNADGEYCKFPFLFNGKEYNSCTDTGRSDGFLWCSTTYNFEKDGKYGFCPHEALFTMGGNAEGQPCKFPFRFQGTSYDSCTTEGRTDGYRWCGTTEDYDRDKKYGFCPETAMSTVGGNSEGAPCVFPFTFLGNKYESCTSAGRSDGKMWCATTANYDDDRKWGFCPDQGYSLFLVAAHEFGHAMGLEHSQDPGALMAPIYTYTKNFRLSQDDIKGIQELYGASPDIDLGTGPTPTLGPVTPEICKQDIVFDGIAQIRGEIFFFKDRFIWRTVTPRDKPMGPLLVATFWPELPEKIDAVYEAPQEEKAVFFAGNEYWIYSASTLERGYPKPLTSLGLPPDVQRVDAAFNWSKNKKTYIFAGDKFWRYNEVKKKMDPGFPKLIADAWNAIPDNLDAVVDLQGGGHSYFFKGAYYLKLENQSLKSVKFGSIKSDWLGC
Organism_Source Homo sapiens
Functional_Classification matrix metalloproteinases
Cellular_Localization Extracellular
Gene_Names MMP2
UniProt_ID P08253
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Inhibitor2
Peptide_Sequence PXcXRGE
Peptide_Length 7
Peptide_SMILES N=C(N)NCCC[C@H](NC(=O)CNC(=O)[C@H](CS)NC(=O)CNC(=O)[C@@H]1CCCN1)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)O
Chemical_Modification X2=3-(3-pyridyl)-D-alanine; X4=L-4,4-biphenylalanine
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 674.73
Aliphatic_Index 0.00000
Aromaticity 0.00000
Average_Rotatable_Bonds 3.00000
Charge_at_pH_7 -0.06222
Isoelectric_Point 6.23243
Number_of_Hydrogen_Bond_Acceptors 11
Number_of_Hydrogen_Bond_Donors 13
Topological_Polar_Surface_Area 323.13000
X_logP_energy -5.31613
Interaction Information
Affinity IC50=3.12 mM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Generation of antitumor peptides by connection of matrix metalloproteinase-9 peptide inhibitor to an endostatin fragment.
Release_Year 2013
PMID 23652276
DOI 10.1097/CAD.0b013e328361b7ad