1MRL

crystal structure of streptogramin a acetyltransferase with dalfopristin

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 123
  • Norm. En. per Res.: -3.2447
• 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	-28.3333	-26.519	-327.079	-381.9314	122	10	3	12856	2	21	17
A-C	-32.1004	-25.7757	-332.812	-390.6881	121	9	3	12595	2	20	18
B-C	-25.674	-22.0001	-351.422	-399.0961	123	11	4	13099	2	19	18

Interface residues

• A-B: ALA138B, ALA141B, ALA142B, ALA161A, ALA161B, ALA80A, ARG167B, ARG83A, ASN143A, ASN143B, ASN14B, ASN159A, ASN159B, ASN162B, ASN190B, ASN192B, ASN199B, ASN4B, ASN81A, ASN92A, ASN96A, ASP119B, ASP125A, ASP125B, ASP194B, ASP198B, ASP39B, ASP85A, CYS67B, GLN107A, GLN18B, GLN49A, GLU12B, GLU191B, GLU34B, GLU99A, GLY123B, GLY137B, GLY157B, GLY158A, GLY158B, GLY2B, GLY70B, GLY79A, GLY86A, GLY95A, GLY97A, HIS101A, HIS82A, ILE11B, ILE122B, ILE128A, ILE139B, ILE164B, ILE186B, ILE189B, ILE193B, ILE196B, ILE201B, ILE69B, ILE76A, LEU155B, LEU176B, LEU197B, LEU51A, LEU93A, LYS100A, LYS104A, LYS124B, LYS165B, LYS195B, LYS41B, LYS65B, LYS7B, MET102A, MET129A, MET1B, MET84A, PHE168B, PHE19B, PHE66B, PHE91A, PHE94A, PRO103A, PRO10B, PRO130A, PRO160A, PRO160B, PRO3B, PRO5B, PRO71B, PRO90A, SER144A, SER144B, SER200B, SER36B, SER68B, SER87A, THR172B, THR74A, THR88A, TRP121B, TRP181B, TRP182B, TRP98A, TYR153B, TYR35B, TYR37B, TYR38B, TYR52A, TYR89A, TYR9B, VAL120B, VAL126A, VAL126B, VAL127A, VAL140B, VAL145A, VAL145B, VAL146A, VAL147A, VAL17B
• A-C: ALA138A, ALA141A, ALA142A, ALA161A, ALA161C, ALA80C, ARG167A, ARG83C, ASN143A, ASN143C, ASN14A, ASN159A, ASN159C, ASN162A, ASN190A, ASN192A, ASN199A, ASN4A, ASN81C, ASN92C, ASN96C, ASP119A, ASP125A, ASP125C, ASP194A, ASP198A, ASP39A, ASP85C, CYS67A, GLN107C, GLN18A, GLN49C, GLU12A, GLU191A, GLU34A, GLU99C, GLY123A, GLY137A, GLY157A, GLY158A, GLY158C, GLY2A, GLY70A, GLY79C, GLY86C, GLY95C, GLY97C, HIS101C, HIS82C, ILE11A, ILE122A, ILE128C, ILE139A, ILE164A, ILE186A, ILE189A, ILE193A, ILE196A, ILE201A, ILE69A, ILE76C, LEU155A, LEU176A, LEU197A, LEU51C, LEU93C, LYS100C, LYS111C, LYS124A, LYS165A, LYS195A, LYS41A, LYS65A, MET102C, MET129C, MET1A, MET84C, PHE168A, PHE19A, PHE66A, PHE91C, PHE94C, PRO103C, PRO109C, PRO10A, PRO130C, PRO160A, PRO160C, PRO3A, PRO5A, PRO71A, PRO90C, SER144A, SER144C, SER200A, SER36A, SER40A, SER68A, SER87C, THR172A, THR74C, THR88C, TRP121A, TRP181A, TRP182A, TRP98C, TYR153A, TYR35A, TYR37A, TYR38A, TYR52C, TYR89C, TYR9A, VAL120A, VAL127C, VAL140A, VAL145A, VAL145C, VAL146C, VAL147C, VAL17A
• B-C: ALA138C, ALA141C, ALA142C, ALA161B, ALA161C, ALA80B, ARG167C, ARG83B, ASN143B, ASN143C, ASN14C, ASN159B, ASN159C, ASN162C, ASN190C, ASN192C, ASN199C, ASN4C, ASN81B, ASN92B, ASN96B, ASP119C, ASP125B, ASP125C, ASP187C, ASP194C, ASP198C, ASP39C, ASP85B, CYS67C, GLN107B, GLN18C, GLN49B, GLU12C, GLU191C, GLU34C, GLU99B, GLY123C, GLY137C, GLY157C, GLY158B, GLY158C, GLY2C, GLY70C, GLY79B, GLY86B, GLY95B, GLY97B, HIS101B, HIS82B, ILE11C, ILE122C, ILE128B, ILE139C, ILE164C, ILE186C, ILE189C, ILE193C, ILE196C, ILE201C, ILE69C, ILE76B, LEU155C, LEU176C, LEU197C, LEU51B, LEU93B, LYS100B, LYS104B, LYS124C, LYS165C, LYS195C, LYS41C, LYS65C, LYS7C, MET102B, MET129B, MET1C, MET84B, PHE168C, PHE19C, PHE66C, PHE91B, PHE94B, PRO103B, PRO10C, PRO130B, PRO160B, PRO160C, PRO3C, PRO5C, PRO71C, PRO90B, SER144B, SER144C, SER200C, SER36C, SER68C, SER87B, THR172C, THR74B, THR88B, TRP121C, TRP181C, TRP182C, TRP98B, TYR153C, TYR35C, TYR37C, TYR38C, TYR52B, TYR54B, TYR89B, TYR9C, VAL120C, VAL126B, VAL127B, VAL140C, VAL145B, VAL145C, VAL146B, VAL147B, VAL17C