3K84

crystal structure analysis of a oleyl/oxadiazole/pyridine inhibitor bound to a humanized variant of fatty acid amide hydrolase

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 154
  • Norm. En. per Res.: -3.6431
• 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	-37.0168	-28.0847	-495.934	-561.0355	154	14	5	17573	3	29	37

Interface residues

• A-B: ALA275A, ALA275B, ALA441A, ALA441B, ALA460A, ALA460B, ALA553A, ALA553B, ARG260A, ARG260B, ARG315A, ARG315B, ARG386A, ARG386B, ARG437A, ARG437B, ARG439A, ARG439B, ARG455A, ARG455B, ASN259A, ASN259B, ASN466A, ASP306A, ASP306B, ASP383A, ASP383B, ASP501A, ASP501B, GLN273A, GLN273B, GLN277A, GLN277B, GLN390A, GLN390B, GLN448A, GLN448B, GLN456A, GLN456B, GLN557A, GLN557B, GLU300A, GLU300B, GLU442A, GLU442B, GLU450A, GLU450B, GLU452A, GLU452B, GLU558A, GLU558B, GLU559A, GLU559B, GLY265A, GLY265B, GLY272A, GLY272B, GLY378A, GLY378B, GLY379A, GLY379B, GLY384A, GLY384B, GLY385A, GLY385B, HIS449A, HIS449B, ILE451A, ILE451B, ILE459A, ILE459B, LEU266A, LEU305A, LEU305B, LEU312A, LEU312B, LEU380A, LEU380B, LEU389A, LEU389B, LEU444A, LEU444B, LEU447A, LEU447B, LEU500A, LEU500B, LEU554A, LEU554B, LYS263A, LYS263B, LYS443A, LYS443B, LYS446A, LYS446B, LYS463A, LYS463B, MET453A, MET453B, PHE303A, PHE303B, PHE381A, PHE381B, PHE388A, PHE388B, PHE502A, PHE502B, PRO307A, PRO307B, PRO310A, PRO310B, PRO311A, PRO311B, PRO313A, PRO313B, PRO438A, PRO438B, PRO555A, PRO555B, SER262A, SER262B, SER264A, SER264B, SER382A, SER382B, SER387A, SER387B, SER440A, SER440B, THR257A, THR257B, THR274A, THR274B, THR304A, THR304B, THR308A, THR308B, THR377A, THR377B, TRP445A, TRP445B, TRP462A, TRP462B, TRP556A, TRP556B, TYR271A, TYR271B, VAL169A, VAL169B, VAL270A, VAL270B, VAL276A, VAL276B, VAL309A, VAL309B