3BI2

crystal structures of fms1 in complex with its inhibitors

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 151
  • Norm. En. per Res.: -3.2027
• 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	-74.4264	-23.2315	-385.95	-483.6079	151	18	6	15726	4	69	77

Interface residues

• A-B: ALA126A, ALA126B, ALA196A, ALA196B, ALA79A, ALA79B, ARG106A, ARG106B, ARG152A, ARG152B, ARG153A, ARG153B, ARG194A, ARG194B, ARG328A, ARG87A, ARG87B, ARG89A, ARG89B, ASN120A, ASN120B, ASN195A, ASN195B, ASN308A, ASN308B, ASN72A, ASN72B, ASN84A, ASN84B, ASN96A, ASN96B, ASP108A, ASP108B, ASP110A, ASP110B, ASP119A, ASP119B, ASP68A, ASP68B, ASP93A, ASP93B, ASP94A, ASP94B, ASP95A, ASP95B, GLN151A, GLN151B, GLN154A, GLN154B, GLN160A, GLN160B, GLN192A, GLN192B, GLN80A, GLN80B, GLU112A, GLU112B, GLU116A, GLU116B, GLU121A, GLU121B, GLU127A, GLU127B, GLU129A, GLU129B, GLU309A, GLU309B, GLU78A, GLU78B, GLY190A, GLY190B, GLY193A, GLY193B, GLY86A, GLY86B, HIS109A, HIS109B, HIS131B, HIS191A, HIS191B, ILE117A, ILE117B, ILE98A, ILE98B, LEU113A, LEU113B, LEU114A, LEU114B, LEU115A, LEU115B, LEU128A, LEU128B, LEU156A, LEU156B, LEU164A, LEU164B, LEU70A, LEU70B, LEU76A, LEU76B, LEU81A, LEU81B, LEU83A, LEU83B, LYS111A, LYS111B, LYS124A, LYS124B, LYS312A, LYS312B, LYS365A, LYS365B, MET122A, MET122B, PHE125A, PHE125B, PHE155A, PHE155B, PHE189A, PHE189B, PHE75A, PHE75B, PHE90A, PHE90B, PHE92A, PHE92B, PHE97A, PHE97B, SER123A, SER123B, SER307B, SER310A, SER310B, SER311A, SER311B, SER82A, SER82B, THR157A, THR157B, THR69A, THR69B, THR71A, THR71B, TYR148A, TYR148B, TYR99A, TYR99B, VAL118A, VAL118B, VAL91A, VAL91B