PPIRE11612

Target Protein Information
Protein_Name Coagulation factor XI
Protein_Sequence MIFLYQVVHFILFTSVSGECVTQLLKDTCFEGGDITTVFTPSAKYCQVVCTYHPRCLLFTFTAESPSEDPTRWFTCVLKDSVTETLPRVNRTAAISGYSFKQCSHQISACNKDIYVDLDMKGINYNSSVAKSAQECQERCTDDVHCHFFTYATRQFPSLEHRNICLLKHTQTGTPTRITKLDKVVSGFSLKSCALSNLACIRDIFPNTVFADSNIDSVMAPDAFVCGRICTHHPGCLFFTFFSQEWPKESQRNLCLLKTSESGLPSTRIKKSKALSGFSLQSCRHSIPVFCHSSFYHDTDFLGEELDIVAAKSHEACQKLCTNAVRCQFFTYTPAQASCNEGKGKCYLKLSSNGSPTKILHGRGGISGYTLRLCKMDNECTTKIKPRIVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPICLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV
Organism_Source Homo sapiens
Functional_Classification serine proteases
Cellular_Localization Extracellular
Gene_Names F11
UniProt_ID P03951
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name P39
Peptide_Sequence YPRHIYPDFPTDTT
Peptide_Length 14
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)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 1722.87
Aliphatic_Index 27.85714
Aromaticity 0.21429
Average_Rotatable_Bonds 3.21429
Charge_at_pH_7 -0.91192
Isoelectric_Point 5.40802
Number_of_Hydrogen_Bond_Acceptors 24
Number_of_Hydrogen_Bond_Donors 23
Topological_Polar_Surface_Area 681.58000
X_logP_energy -5.27443
Interaction Information
Affinity KD=320 mM
Affinity_Assay Surface plasmon resonance
PDB_ID 5EOK
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title A novel DFP tripeptide motif interacts with the coagulation factor XI apple 2 domain.
Release_Year 2016
PMID 27006387
DOI 10.1182/blood-2015-10-676122