PPIRE10683

Target Protein Information
Protein_Name Chaperone SurA
Protein_Sequence MKNWKTLLLGIAMIANTSFAAPQVVDKVAAVVNNGVVLESDVDGLMQSVKLNAAQARQQLPDDATLRHQIMERLIMDQIILQMGQKMGVKISDEQLDQAIANIAKQNNMTLDQMRSRLAYDGLNYNTYRNQIRKEMIISEVRNNEVRRRITILPQEVESLAQQVGNQNDASTELNLSHILIPLPENPTSDQVNEAESQARAIVDQARNGADFGKLAIAHSADQQALNGGQMGWGRIQELPGIFAQALSTAKKGDIVGPIRSGVGFHILKVNDLRGESKNISVTEVHARHILLKPSPIMTDEQARVKLEQIAADIKSGKTTFAAAAKEFSQDPGSANQGGDLGWATPDIFDPAFRDALTRLNKGQMSAPVHSSFGWHLIELLDTRNVDKTDAAQKDRAYRMLMNRKFSEEAASWMQEQRASAYVKILSN
Organism_Source Escherichia coli O157:H7
Functional_Classification peptidyl-prolyl isomerases
Cellular_Localization Extracellular
Gene_Names surA
UniProt_ID P0ABZ8
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name C-peptide
Peptide_Sequence NFTLKFWDIFRK
Peptide_Length 12
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(N)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)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 1614.91
Aliphatic_Index 65.00000
Aromaticity 0.33333
Average_Rotatable_Bonds 4.33333
Charge_at_pH_7 1.99784
Isoelectric_Point 10.78901
Number_of_Hydrogen_Bond_Acceptors 19
Number_of_Hydrogen_Bond_Donors 22
Topological_Polar_Surface_Area 613.77000
X_logP_energy -1.47243
Interaction Information
Affinity KD=1.23 uM
Affinity_Assay Isothermal titration calorimetry
PDB_ID 2PV2
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title The periplasmic bacterial molecular chaperone SurA adapts its structure to bind peptides in different conformations to assert a sequence preference for aromatic residues.
Release_Year 2007
PMID 17825319
DOI 10.1016/j.jmb.2007.07.069