PPIST13267

Protein Information
Protein_Chain A;B
Protein_Sequence MDKNELVQKAKLAEQAERYDDMAACMKSVTEQGAELSNEERNLLSVAYKNVVGARRSSWRVVSSIEQKTEGAEKKQQMAREYREKIETELRDICNDVLSLLEKFLIPNASQAESKVFYLKMKGDYYRYLAEVAAGDDKKGIVDQSQQAYQEAFEISKKEMQPTHPIRLGLALNFSVFYYEILNSPEKACSLAKTAFDEAIAELDTLSEESYKDSTLIMQLLRDNLTLWTS
Peptide Information
Peptide_Chain C;D
Peptide_Sequence GXLDXLDL
Peptide_Length 8
Non-standard residues Yes
Interaction Information
PDB_ID 6RLZ
Method X-RAY DIFFRACTION
Resolution 3.70 angstrom
Structure
Protein-peptide residue interaction
Residues
Acidic
Polar
Basic
Aliphatic
Aromatic
Interactions
HBond
WaterBridge
Hydrophobic
SaltBridge
PiStack
PiCation
Halogen
Metal
Interaction_xlsx Download interaction table (.xlsx)
Reference Information
Title Adapting free energy perturbation simulations for large macrocyclic ligands: how to dissect contributions from direct binding and free ligand flexibility.
Release_Year 2020
PMID 32180932
DOI 10.1039/c9sc04705k