3IHG

crystal structure of a ternary complex of aklavinone-11 hydroxylase with fad and aklavinone

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 55
  • Norm. En. per Res.: -1.2677
• 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	0.0	-7.3916	-62.3324	-69.724	55	3	0	2743	1	27	49
B-C	-4.1005	16.6581	-25.3253	-12.7677	33	1	0	1228	1	17	28

Interface residues

• A-B: ALA371A, ALA371B, ALA375A, ALA375B, ALA379A, ALA379B, ALA84B, ARG373A, ARG373B, ARG93A, ARG93B, ASP250A, ASP250B, GLN372A, GLN372B, GLU229A, GLU229B, GLU253A, GLU253B, GLU380A, GLU380B, GLU85A, GLU85B, GLU90A, GLU90B, HIS226A, HIS226B, HIS227A, HIS227B, HIS377A, HIS377B, ILE91A, ILE91B, LEU83A, LEU83B, LEU92A, LEU92B, LYS231A, LYS231B, LYS384A, LYS384B, MET378A, MET378B, PHE230A, PHE230B, PRO228A, PRO228B, PRO376A, PRO376B, THR94A, THR94B, VAL381A, VAL381B, VAL95A, VAL95B
• B-C: ALA115B, ALA153C, ALA345C, ALA69B, ARG297C, ARG299C, ARG68B, ARG73B, ASP150C, ASP151C, ASP152C, ASP349C, ASP534C, ASP64B, ASP70B, ASP71B, GLN76B, GLU300C, GLU65B, GLY154C, GLY301C, GLY346C, GLY74B, GLY77B, HIS149C, LEU117B, MET116B, MET1C, PHE99B, SER212B, THR75B, VAL66B, VAL67B