3MDT

voriconazole complex of cytochrome p450 46a1

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 69
  • Norm. En. per Res.: -3.7306
• 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	-36.9815	-91.7305	-128.698	-257.4099	69	12	0	5008	7	27	21

Interface residues

• A-B: ALA420A, ALA420B, ARG384B, ARG415A, ARG415B, ARG424A, ARG424B, ASP381A, ASP381B, ASP402A, ASP402B, ASP407A, ASP407B, ASP414A, ASP414B, GLU406A, GLU406B, GLU91A, GLU91B, GLY382A, GLY382B, GLY417A, GLY417B, GLY419A, GLY419B, ILE380A, ILE380B, LEU379A, LEU379B, LYS101A, LYS101B, LYS422A, LYS422B, LYS94A, LYS94B, LYS95A, LYS95B, MET398A, MET398B, MET401A, MET401B, PHE405A, PHE405B, PHE425A, PHE425B, PRO408A, PRO408B, PRO418A, PRO418B, PRO421A, PRO421B, PRO73A, PRO73B, PRO90A, PRO90B, SER89A, SER89B, SER92A, SER92B, THR403A, THR403B, THR426A, THR426B, THR88A, THR88B, TYR404A, TYR404B, VAL93A, VAL93B