1N71

crystal structure of aminoglycoside 6'-acetyltransferase type ii in complex with coenzyme a

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 128
  • Norm. En. per Res.: -5.4191
• 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	-74.4611	-126.634	-472.317	-673.4121	127	14	13	16775	8	20	19
A-D	-16.553	44.5998	-110.332	-82.2853	61	6	0	4084	2	47	45
C-D	-82.4562	-129.0656	-482.126	-693.6479	128	18	14	17045	8	23	20

Interface residues

• A-B: ALA134A, ALA134B, ALA161A, ALA161B, ALA172A, ALA172B, ARG178A, ARG178B, ASN160A, ASN160B, ASN162A, ASN162B, ASP112A, ASP112B, ASP113A, ASP113B, ASP124A, ASP124B, ASP131A, ASP131B, ASP165A, ASP165B, ASP168A, ASP168B, GLN122A, GLN122B, GLN65A, GLN65B, GLU127A, GLU127B, GLU28A, GLU28B, GLU72A, GLU72B, GLY103A, GLY103B, GLY104A, GLY104B, GLY110A, GLY110B, GLY151A, GLY151B, GLY156A, GLY156B, GLY163A, GLY163B, GLY67A, GLY67B, GLY70A, GLY70B, HIS128A, HIS128B, ILE105A, ILE105B, ILE107A, ILE107B, ILE154A, ILE154B, ILE169A, ILE169B, ILE175A, ILE175B, ILE176A, ILE176B, ILE68A, ILE68B, LEU109A, LEU109B, LEU114A, LEU114B, LEU125A, LEU125B, LEU158A, LEU158B, LYS132A, LYS132B, LYS153A, LYS153B, LYS166A, LYS166B, LYS173A, LYS173B, MET171A, MET171B, PHE130A, PHE130B, PRO159A, PRO159B, PRO167A, PRO167B, PRO177A, PRO177B, PRO179A, PRO179B, SER135A, THR106A, THR106B, THR111A, THR111B, THR123A, THR123B, THR129A, THR129B, THR174A, THR174B, THR69A, THR69B, TRP164A, TRP164B, TRP170A, TRP170B, TRP71A, TRP71B, TYR108A, TYR108B, TYR126A, TYR126B, TYR152A, TYR152B, TYR66A, TYR66B, VAL133A, VAL133B, VAL155A, VAL155B, VAL157A, VAL157B
• A-D: ARG140A, ARG140D, ARG22A, ARG22D, ARG82A, ARG82D, ARG83A, ARG83D, ASN85A, ASN85D, ASP115A, ASP115D, ASP19A, ASP52A, ASP52D, GLN122A, GLN122D, GLN53A, GLN53D, GLN86A, GLN86D, GLU141A, GLU141D, GLU27A, GLU27D, GLU55A, GLU55D, GLU79A, GLU79D, GLY117A, GLY117D, HIS116A, HIS116D, HIS142A, HIS142D, ILE87A, ILE87D, LEU114A, LEU114D, LEU139A, LEU139D, LEU23A, LEU23D, LYS166A, LYS166D, LYS84A, LYS84D, MET1A, PRO26A, PRO26D, SER80A, SER80D, SER81A, SER81D, THR24A, THR24D, TRP25A, TRP25D, VAL57A, VAL78A, VAL78D
• C-D: ALA134C, ALA134D, ALA161C, ALA161D, ALA172C, ALA172D, ARG178C, ARG178D, ASN160C, ASN160D, ASN162C, ASN162D, ASP112C, ASP112D, ASP113C, ASP124C, ASP124D, ASP131C, ASP131D, ASP165C, ASP165D, ASP168C, ASP168D, GLN122C, GLN122D, GLN65C, GLN65D, GLU127C, GLU127D, GLU27C, GLU28C, GLU28D, GLU72C, GLU72D, GLY103C, GLY103D, GLY104C, GLY104D, GLY110C, GLY110D, GLY151C, GLY151D, GLY156C, GLY156D, GLY163C, GLY163D, GLY67C, GLY67D, GLY70C, GLY70D, HIS128C, HIS128D, ILE105C, ILE105D, ILE107C, ILE107D, ILE136D, ILE154C, ILE154D, ILE169C, ILE169D, ILE175C, ILE175D, ILE176C, ILE176D, ILE68C, ILE68D, LEU109C, LEU109D, LEU114C, LEU114D, LEU125C, LEU125D, LEU158C, LEU158D, LYS132C, LYS132D, LYS153C, LYS153D, LYS166C, LYS166D, LYS173C, LYS173D, MET171C, MET171D, PHE130C, PHE130D, PRO159C, PRO159D, PRO167C, PRO167D, PRO177C, PRO177D, PRO179C, PRO179D, SER135D, THR106C, THR106D, THR111C, THR111D, THR123C, THR123D, THR129C, THR129D, THR174C, THR174D, THR69C, THR69D, TRP164C, TRP164D, TRP170C, TRP170D, TRP71C, TRP71D, TYR108C, TYR108D, TYR126C, TYR126D, TYR152C, TYR152D, TYR66C, TYR66D, VAL133C, VAL133D, VAL155C, VAL155D, VAL157C, VAL157D