3BJ8

spermine/spermidine n1-acetyltransferase from mouse: crystal structure of a ternary complex reveals solvent-mediated spermine binding

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 216
  • Norm. En. per Res.: -6.3161
• 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	-198.8331	-35.8518	-1068.94	-1303.6248	216	75	30	39115	5	69	65
A-C	-3.4585	-11.9714	-16.6195	-32.0494	16	1	0	791	0	11	7
B-C	0.0	-9.8659	-18.5898	-28.4557	18	0	0	768	0	10	13
C-D	-241.0868	-68.4521	-1054.73	-1364.2689	216	53	30	37842	3	67	68

Interface residues

• A-B: ALA117A, ALA117B, ALA130A, ALA130B, ALA145A, ALA145B, ALA168A, ALA168B, ALA169A, ALA25A, ALA25B, ARG121A, ARG121B, ARG142A, ARG142B, ARG143A, ARG143B, ARG155A, ARG155B, ASN112A, ASN112B, ASN133A, ASN133B, ASN138A, ASN138B, ASP147A, ASP147B, ASP160A, ASP160B, ASP32A, ASP32B, ASP40A, ASP40B, ASP44A, ASP44B, ASP82A, ASP82B, ASP93A, ASP93B, CYS120A, CYS120B, CYS122A, CYS122B, CYS54A, GLN115A, GLN115B, GLN33A, GLN33B, GLN42A, GLN42B, GLU108A, GLU108B, GLU131A, GLU131B, GLU134A, GLU134B, GLU162A, GLU162B, GLU28A, GLU28B, GLU31A, GLU31B, GLU43A, GLU43B, GLU92A, GLU92B, GLY106B, GLY144A, GLY144B, GLY153A, GLY153B, GLY45A, GLY45B, GLY86A, GLY86B, HIS126A, HIS126B, HIS49A, HIS49B, HIS53A, HIS53B, ILE109B, ILE137A, ILE137B, ILE159A, ILE159B, ILE17A, ILE17B, ILE21A, ILE21B, ILE35A, ILE35B, ILE85A, ILE85B, LEU110A, LEU110B, LEU113A, LEU113B, LEU128A, LEU128B, LEU148A, LEU148B, LEU156A, LEU156B, LEU164A, LEU164B, LEU165A, LEU165B, LEU18A, LEU18B, LEU20A, LEU20B, LEU24A, LEU24B, LEU36A, LEU36B, LEU41A, LEU41B, LEU88A, LEU88B, LEU89A, LEU89B, LEU91A, LEU91B, LYS111A, LYS111B, LYS119A, LYS119B, LYS141A, LYS141B, LYS158A, LYS158B, LYS161A, LYS161B, LYS166A, LYS166B, LYS22A, LYS22B, LYS26A, LYS26B, LYS39B, LYS87A, LYS87B, MET118A, MET118B, MET125A, MET125B, MET167A, MET167B, MET30A, MET30B, MET76A, MET76B, PHE127A, PHE127B, PHE139A, PHE139B, PHE157A, PHE157B, PHE46B, PHE51A, PHE51B, PHE74A, PHE74B, PHE79A, PHE79B, PHE94A, PHE94B, PRO50A, PRO50B, PRO83A, PRO83B, SER107A, SER107B, SER114A, SER114B, SER123A, SER123B, SER124A, SER124B, SER136A, SER136B, SER146A, SER146B, THR37A, THR37B, THR80A, THR80B, TRP132A, TRP132B, TRP154A, TRP154B, TRP84A, TRP84B, TYR140A, TYR140B, TYR163A, TYR163B, TYR27B, TYR29B, TYR52A, TYR52B, TYR77A, TYR77B, TYR78A, TYR78B, TYR81A, TYR81B, TYR90A, TYR90B, VAL116A, VAL116B, VAL129A, VAL129B, VAL34A, VAL34B
• A-C: ARG121A, ASP32C, GLN115A, GLN33C, GLU31C, GLU38C, ILE35C, LEU18C, LEU36C, LYS111A, LYS119A, LYS22C, LYS26C, MET118A, THR37C, VAL34C
• B-C: ALA168B, ASP160C, ASP32C, GLN33C, GLU162B, GLU162C, GLU31C, ILE35C, LEU164B, LEU165B, LYS161B, LYS161C, LYS166B, LYS26C, LYS39B, MET30C, TYR29C, VAL34C
• C-D: ALA117C, ALA117D, ALA130C, ALA130D, ALA145C, ALA145D, ALA168C, ALA169C, ALA25C, ALA25D, ARG121C, ARG121D, ARG142C, ARG142D, ARG143C, ARG143D, ARG155C, ARG155D, ASN112C, ASN112D, ASN133C, ASN133D, ASN138C, ASN138D, ASP147C, ASP147D, ASP160C, ASP160D, ASP32C, ASP32D, ASP40C, ASP40D, ASP44C, ASP44D, ASP82C, ASP82D, ASP93C, ASP93D, CYS120C, CYS120D, CYS122C, CYS122D, CYS54C, GLN115C, GLN115D, GLN33C, GLN33D, GLN42C, GLN42D, GLU108C, GLU108D, GLU131C, GLU131D, GLU134C, GLU162C, GLU162D, GLU28C, GLU28D, GLU31C, GLU31D, GLU43C, GLU43D, GLU48C, GLU92C, GLU92D, GLY144C, GLY144D, GLY153C, GLY153D, GLY45C, GLY45D, GLY86C, GLY86D, HIS126C, HIS126D, HIS49C, HIS49D, HIS53C, HIS53D, ILE137C, ILE137D, ILE159C, ILE159D, ILE17C, ILE17D, ILE21C, ILE21D, ILE35C, ILE35D, ILE85C, ILE85D, LEU110C, LEU110D, LEU113C, LEU113D, LEU128C, LEU128D, LEU148C, LEU148D, LEU156C, LEU156D, LEU164C, LEU164D, LEU165C, LEU165D, LEU18C, LEU18D, LEU20C, LEU20D, LEU24C, LEU24D, LEU36C, LEU36D, LEU41C, LEU41D, LEU88C, LEU88D, LEU89C, LEU89D, LEU91C, LEU91D, LYS111C, LYS111D, LYS119C, LYS119D, LYS141C, LYS141D, LYS158C, LYS158D, LYS161C, LYS161D, LYS166C, LYS166D, LYS22C, LYS22D, LYS26C, LYS26D, LYS39C, LYS39D, LYS87C, LYS87D, MET118C, MET118D, MET125C, MET125D, MET167C, MET167D, MET30C, MET30D, MET76C, MET76D, PHE127C, PHE127D, PHE139C, PHE139D, PHE157C, PHE157D, PHE46D, PHE51C, PHE51D, PHE74C, PHE74D, PHE79C, PHE79D, PHE94C, PHE94D, PRO50C, PRO50D, PRO83C, PRO83D, SER107C, SER107D, SER114C, SER114D, SER123C, SER123D, SER124C, SER124D, SER136C, SER136D, SER146C, SER146D, THR37C, THR37D, THR80C, THR80D, TRP132C, TRP132D, TRP154C, TRP154D, TRP84C, TRP84D, TYR140C, TYR140D, TYR163C, TYR163D, TYR27C, TYR27D, TYR29C, TYR29D, TYR52C, TYR52D, TYR77C, TYR77D, TYR78C, TYR78D, TYR81C, TYR81D, TYR90C, TYR90D, VAL116C, VAL116D, VAL129C, VAL129D, VAL34C, VAL34D