PPIRE13920

Target Protein Information
Protein_Name Multidrug resistance operon repressor
Protein_Sequence MNYPVNPDLMPALMAVFQHVRTRIQSELDCQRLDLTPPDVHVLKLIDEQRGLNLQDLGRQMCRDKALITRKIRELEGRNLVRRERNPSDQRSFQLFLTDEGLAIHQHAEAIMSRVHDELFAPLTPVEQATLVHLLDQCLAAQPLEDI
Organism_Source Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1)
Functional_Classification MarR family repressors
Cellular_Localization Cytoplasm
Gene_Names mexR
UniProt_ID P52003
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name ArmRC
Peptide_Sequence ARRDYTEQLRRAARRNAWDLYGEHFY
Peptide_Length 26
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)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 3314.63
Aliphatic_Index 45.38462
Aromaticity 0.19231
Average_Rotatable_Bonds 4.11538
Charge_at_pH_7 2.09077
Isoelectric_Point 9.82715
Number_of_Hydrogen_Bond_Acceptors 44
Number_of_Hydrogen_Bond_Donors 57
Topological_Polar_Surface_Area 1522.99000
X_logP_energy -14.12078
Interaction Information
Affinity KD=160 nM
Affinity_Assay Isothermal titration calorimetry
PDB_ID 3ECH
Type Allosteric modulator
Structure
Reference Information
Document_Type Research Articles
Title The crystal structure of MexR from Pseudomonas aeruginosa in complex with its antirepressor ArmR.
Release_Year 2008
PMID 18812515
DOI 10.1073/pnas.0805489105