3G5U

structure of p-glycoprotein reveals a molecular basis for poly-specific drug binding

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 144
  • Norm. En. per Res.: -2.4032
• Hub Node: A(1)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-42.1059	-97.6933	-206.257	-346.0562	144	31	0	11547	9	94	70

Interface residues

• A-B: ALA481A, ALA481B, ALA917A, ALA917B, ALA927A, ALA927B, ARG138A, ARG138B, ARG460A, ARG460B, ARG485A, ARG485B, ARG488A, ARG488B, ARG908A, ARG908B, ARG925A, ARG925B, ASN926A, ASN926B, ASP382A, ASP382B, ASP46A, ASP46B, ASP490A, ASP490B, ASP494A, ASP494B, ASP507A, ASP507B, ASP517A, ASP517B, GLN145A, GLN145B, GLN515A, GLN515B, GLN526A, GLN526B, GLN910A, GLN910B, GLN918A, GLN918B, GLN921A, GLN921B, GLU482A, GLU482B, GLU489A, GLU489B, GLU495A, GLU495B, GLU497A, GLU497B, GLU909A, GLU909B, GLU913A, GLU913B, GLY43A, GLY43B, HIS141A, HIS141B, HIS149A, HIS149B, HIS514A, HIS514B, ILE143A, ILE143B, ILE384A, ILE480A, ILE480B, ILE496A, ILE496B, ILE509A, ILE509B, ILE922A, ILE922B, LEU134A, LEU134B, LEU45A, LEU45B, LEU48B, LEU512A, LEU512B, LEU519A, LEU519B, LEU906B, LEU920A, LEU920B, LYS142A, LYS142B, LYS146A, LYS146B, LYS368A, LYS368B, LYS376A, LYS376B, LYS380B, LYS511A, LYS511B, LYS911A, LYS911B, LYS929A, LYS929B, MET493A, MET493B, MET510A, MET510B, MET915A, MET915B, MET928A, MET928B, PHE516A, PHE516B, PHE912A, PHE912B, PRO513A, PRO513B, SER375A, THR478A, THR478B, THR479A, THR479B, THR492A, THR492B, THR518A, THR518B, THR907A, THR907B, THR914A, THR914B, TRP44A, TRP44B, TYR486A, TYR486B, TYR49B, TYR506A, TYR506B, TYR916A, TYR916B, TYR924A, TYR924B, VAL491A, VAL491B, VAL520A, VAL520B