3IGJ

crystal structure of maltose o-acetyltransferase complexed with acetyl coenzyme a from bacillus anthracis

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 132
  • Norm. En. per Res.: -3.1657
• Hub Node: A(2)

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	-59.7712	-67.9846	-290.114	-417.8698	132	14	3	11941	7	38	29
A-C	-46.7115	-53.5349	-298.262	-398.5084	126	11	4	11881	5	36	27
B-C	-33.2779	-73.1024	-272.872	-379.2523	127	5	5	11220	4	35	30

Interface residues

• A-B: ALA105A, ALA113B, ALA144A, ALA156A, ALA159A, ALA162A, ALA162B, ALA16B, ALA179A, ALA28B, ALA38A, ARG122B, ARG25B, ARG30B, ARG33A, ARG33B, ARG46A, ARG69A, ARG69B, ASN123B, ASN136A, ASN137A, ASN147B, ASN155A, ASN171A, ASN177A, ASN177B, ASN36A, ASN36B, ASN65A, ASN85A, ASN87A, ASN87B, ASP100A, ASP154A, ASP17B, ASP43A, ASP67A, ASP67B, ASP71B, ASP92B, CYS102A, CYS70B, CYS88A, CYS88B, GLN63A, GLU121B, GLU127B, GLU186A, GLU187A, GLU27B, GLU37A, GLU37B, GLU40A, GLU40B, GLU44A, GLY107A, GLY107B, GLY125B, GLY141A, GLY142A, GLY143A, GLY143B, GLY161A, GLY161B, GLY175A, GLY176A, GLY176B, GLY42A, HIS101A, HIS109A, HIS109B, HIS115B, HIS118B, ILE110B, ILE145A, ILE145B, ILE146B, ILE158A, ILE182A, ILE185A, ILE64A, ILE90B, LEU117B, LEU31B, LEU34A, LEU34B, LEU91B, LYS130B, LYS180A, LYS183A, LYS29B, LYS80A, PHE104A, PHE68A, PHE68B, PHE83A, PHE86A, PRO106A, PRO116B, PRO119B, PRO148B, PRO178A, PRO178B, PRO66A, SER124B, SER160A, SER81A, THR114B, THR165B, THR184A, THR32B, THR41A, TRP139A, TYR111B, TYR128B, TYR72B, VAL108A, VAL120B, VAL138A, VAL140A, VAL157A, VAL163A, VAL163B, VAL164B, VAL172A, VAL173A, VAL22B, VAL26B, VAL39A, VAL89B, VAL93B
• A-C: ALA105C, ALA113A, ALA144C, ALA156C, ALA159C, ALA162A, ALA162C, ALA179C, ALA28A, ALA38C, ARG122A, ARG25A, ARG30A, ARG33A, ARG33C, ARG46C, ARG69A, ARG69C, ASN123A, ASN136C, ASN137C, ASN147A, ASN155C, ASN171C, ASN177A, ASN177C, ASN36A, ASN36C, ASN65C, ASN85C, ASN87A, ASN87C, ASP100C, ASP154C, ASP17A, ASP43C, ASP67A, ASP67C, ASP71A, ASP92A, CYS102C, CYS70A, CYS88A, CYS88C, GLN63C, GLU121A, GLU127A, GLU186C, GLU187C, GLU27A, GLU37A, GLU37C, GLU40C, GLU44C, GLY107A, GLY107C, GLY141C, GLY142C, GLY143A, GLY143C, GLY161A, GLY161C, GLY175C, GLY176A, GLY176C, GLY42C, HIS101C, HIS109A, HIS109C, HIS115A, HIS118A, ILE110A, ILE145A, ILE145C, ILE146A, ILE158C, ILE182C, ILE185C, ILE64C, ILE90A, LEU117A, LEU31A, LEU34A, LEU34C, LEU91A, LYS180C, LYS183C, LYS29A, PHE104C, PHE68A, PHE68C, PHE83C, PHE86C, PRO106C, PRO116A, PRO119A, PRO148A, PRO178A, PRO178C, PRO66C, SER160C, SER81C, THR114A, THR165A, THR184C, THR32A, THR41C, TRP139C, TYR111A, TYR128A, TYR72A, VAL108C, VAL120A, VAL138C, VAL140C, VAL157C, VAL163A, VAL163C, VAL164A, VAL172C, VAL173C, VAL22A, VAL26A, VAL39C, VAL89A, VAL93A
• B-C: ALA105B, ALA113C, ALA144B, ALA156B, ALA159B, ALA162B, ALA162C, ALA16C, ALA179B, ALA28C, ALA38B, ARG122C, ARG25C, ARG30C, ARG33B, ARG33C, ARG46B, ARG69B, ARG69C, ASN123C, ASN136B, ASN137B, ASN147C, ASN155B, ASN171B, ASN177B, ASN177C, ASN36B, ASN36C, ASN65B, ASN85B, ASN87B, ASN87C, ASP100B, ASP154B, ASP17C, ASP43B, ASP67B, ASP67C, ASP71C, ASP92C, CYS102B, CYS70C, CYS88B, CYS88C, GLN63B, GLU121C, GLU127C, GLU186B, GLU187B, GLU27C, GLU37B, GLU37C, GLU40B, GLU44B, GLY107B, GLY107C, GLY125C, GLY141B, GLY142B, GLY143B, GLY143C, GLY161B, GLY161C, GLY175B, GLY176B, GLY176C, GLY42B, HIS101B, HIS109B, HIS109C, HIS115C, HIS118C, ILE110C, ILE145B, ILE145C, ILE146C, ILE158B, ILE182B, ILE185B, ILE64B, ILE90C, LEU117C, LEU31C, LEU34C, LEU91C, LYS180B, LYS183B, LYS29C, PHE104B, PHE68B, PHE68C, PHE83B, PHE86B, PRO106B, PRO116C, PRO119C, PRO148C, PRO178B, PRO178C, PRO66B, SER124C, SER160B, SER81B, THR114C, THR165C, THR184B, THR32C, THR41B, TRP139B, TYR111C, TYR128C, TYR72C, VAL108B, VAL120C, VAL138B, VAL140B, VAL157B, VAL163B, VAL163C, VAL164C, VAL172B, VAL173B, VAL22C, VAL26C, VAL39B, VAL89C