Table 1 Interactions between Nb80 and β2-AR from the PDB structure 3P0G (A chain represents β2-AR, and B chain represents peptide).
Name | Distance | Category | Type | From | From Chemistry | To | To Chemistry | Angle XDA | Angle DAY | Theta | Theta22 | Gamma | Closest Atom Distance |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
A:ARG131:NH2-B:GLU106:OE2 | 4.55504 | Electrostatic | Attractive Charge | A:ARG131:NH2 | Positive | B:GLU106:OE2 | Negative | ||||||
A:ARG131:CD-B:VAL103:O | 2.7792 | Hydrogen Bond | Carbon Hydrogen Bond | A:ARG131:CD | H-Donor | B:VAL103:O | H-Acceptor | 96.039 | 138.559 | ||||
B:SER30:CB-A:ALA226:O | 3.76186 | Hydrogen Bond | Carbon Hydrogen Bond | B:SER30:CB | H-Donor | A:ALA226:O | H-Acceptor | 94.333 | 136.361 | ||||
B:HIS52:CE1-A:ILE135:O | 2.95275 | Hydrogen Bond | Carbon Hydrogen Bond | B:HIS52:CE1 | H-Donor | A:ILE135:O | H-Acceptor | 102.029 | 165.557 | ||||
A:ARG328:C,O;SER329:N-B:TYR105 | 4.42188 | Hydrophobic | Amide-Pi Stacked | A:ARG328:C,O;SER329:N | Amide | B:TYR105 | Pi-Orbitals | 31.609 | 30.163 | 12.821 | 3.962 | ||
A:ARG131-B:LEU104 | 5.45175 | Hydrophobic | Alkyl | A:ARG131 | Alkyl | B:LEU104 | Alkyl | ||||||
A:VAL222-B:VAL103 | 5.4757 | Hydrophobic | Alkyl | A:VAL222 | Alkyl | B:VAL103 | Alkyl | ||||||
A:ALA226-B:ILE31 | 5.16574 | Hydrophobic | Alkyl | A:ALA226 | Alkyl | B:ILE31 | Alkyl | ||||||
A:ILE278-B:LEU104 | 5.27015 | Hydrophobic | Alkyl | A:ILE278 | Alkyl | B:LEU104 | Alkyl | ||||||
B:VAL103-A:LEU275 | 4.88306 | Hydrophobic | Alkyl | B:VAL103 | Alkyl | A:LEU275 | Alkyl | ||||||
A:PHE139-B:ALA50 | 4.74445 | Hydrophobic | Pi-Alkyl | A:PHE139 | Pi-Orbitals | B:ALA50 | Alkyl | ||||||
A:TYR326-B:LEU104 | 5.19168 | Hydrophobic | Pi-Alkyl | A:TYR326 | Pi-Orbitals | B:LEU104 | Alkyl | ||||||
B:PHE29-A:ALA226 | 5.29543 | Hydrophobic | Pi-Alkyl | B:PHE29 | Pi-Orbitals | A:ALA226 | Alkyl | ||||||
B:PHE29-A:ALA271 | 4.40895 | Hydrophobic | Pi-Alkyl | B:PHE29 | Pi-Orbitals | A:ALA271 | Alkyl | ||||||
B:HIS52-A:PRO138 | 4.67849 | Hydrophobic | Pi-Alkyl | B:HIS52 | Pi-Orbitals | A:PRO138 | Alkyl | ||||||
B:TYR100-A:ILE135 | 5.39955 | Hydrophobic | Pi-Alkyl | B:TYR100 | Pi-Orbitals | A:ILE135 | Alkyl | ||||||
B:TYR105-A:PRO330 | 5.27514 | Hydrophobic | Pi-Alkyl | B:TYR105 | Pi-Orbitals | A:PRO330 | Alkyl | ||||||
