PPIPT01475

Target Protein Information
Protein_Name Clumping factor A
Protein_Sequence MNMKKKEKHAIRKKSIGVASVLVGTLIGFGLLSSKEADASENSVTQSDSASNESKSNDSSSVSAAPKTDDTNVSDTKTSSNTNNGETSVAQNPAQQETTQSSSTNATTEETPVTGEATTTTTNQANTPATTQSSNTNAEELVNQTSNETTSNDTNTVSSVNSPQNSTNAENVSTTQDTSTEATPSNNESAPQSTDASNKDVVNQAVNTSAPRMRAFSLAAVAADAPVAGTDITNQLTNVTVGIDSGTTVYPHQAGYVKLNYGFSVPNSAVKGDTFKITVPKELNLNGVTSTAKVPPIMAGDQVLANGVIDSDGNVIYTFTDYVNTKDDVKATLTMPAYIDPENVKKTGNVTLATGIGSTTANKTVLVDYEKYGKFYNLSIKGTIDQIDKTNNTYRQTIYVNPSGDNVIAPVLTGNLKPNTDSNALIDQQNTSIKVYKVDNAADLSESYFVNPENFEDVTNSVNITFPNPNQYKVEFNTPDDQITTPYIVVVNGHIDPNSKGDLALRSTLYGYNSNIIWRSMSWDNEVAFNNGSGSGDGIDKPVVPEQPDEPGEIEPIPEDSDSDPGSDSGSDSNSDSGSDSGSDSTSDSGSDSASDSDSASDSDSASDSDSASDSDSASDSDSDNDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSASDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSDSESDSDSDSDSDSDSDSDSDSDSDSASDSDSGSDSDSSSDSDSESDSNSDSESVSNNNVVPPNSPKNGTNASNKNEAKDSKEPLPDTGSEDEANTSLIWGLLASIGSLLLFRRKKENKDKK
Organism_Source Staphylococcus aureus (strain NCTC 8325 / PS 47)
Functional_Classification Microbial adhesin (MSCRAMM)
Cellular_Localization Extracellular
Gene_Names clfA
UniProt_ID Q2G015
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Fg-395-411 (WT)
Peptide_Sequence GEGALASKAGDGAEGCS
Peptide_Length 17
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CN)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1479.54
Aliphatic_Index 46.47059
Aromaticity 0.00000
Average_Rotatable_Bonds 2.94118
Charge_at_pH_7 -2.06029
Isoelectric_point 3.92754
Number_of_Hydrogen_Bond_Acceptors 25
Number_of_Hydrogen_Bond_Donors 25
Topological_Polar_Surface_Area 707.30000
X_logP_energy -12.31450
Interaction Information
Affinity KD=5.8 uM
Affinity_Assay Isothermal Titration Calorimetry
PDB_ID 2VR3
Type Antagonist
Structure
Reference Information
Document_Type Patent
Title CRYSTAL STRUCTURE OF STAPHYLOCOCCUS AUREUS CLUMPING FACTOR A COMPLEX WITH FIBRINOGEN DERIVED PEPTIDE AND USES THEREOF
Release_Year 2015
Patent_ID US20150152174A1