3KE5

crystal structure of a pduo-type atp:cob(i)alamin adenosyltransferase from bacillus cereus in a complex with atp

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 139
  • Norm. En. per Res.: -5.3161
• 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	-69.523	-243.6679	-452.689	-765.8799	152	28	9	17596	22	67	62
A-C	-50.3229	-226.0048	-426.285	-702.6127	150	23	9	16923	19	68	60
B-C	-75.7145	-250.0624	-413.164	-738.9409	139	25	9	15825	20	62	59

Interface residues

• A-B: ALA117A, ALA118A, ALA119A, ALA124A, ALA124B, ALA131B, ALA161A, ALA181A, ALA29B, ALA36B, ALA43A, ALA43B, ARG125A, ARG129A, ARG130A, ARG130B, ARG133A, ARG154A, ARG164A, ARG179A, ARG26B, ARG94A, ASN153A, ASN167A, ASN178A, ASN37B, ASN61B, ASP157A, ASP21B, ASP23B, ASP24B, ASP34B, ASP68B, ASP72B, ASP97A, ASP9B, CYS69B, GLN139A, GLN48B, GLN63B, GLU101A, GLU107A, GLU116A, GLU116B, GLU132A, GLU146A, GLU176A, GLU28A, GLU28B, GLU35A, GLU35B, GLU60B, GLU65B, GLU90A, GLU93A, GLY113A, GLY114A, GLY11B, GLY31B, GLY41B, GLY70B, GLY71B, GLY8B, HIS122A, HIS39A, HIS39B, HIS64B, ILE100A, ILE110A, ILE121A, ILE123A, ILE123B, ILE135A, ILE144A, ILE162A, ILE16B, ILE25A, ILE25B, ILE33B, ILE40B, ILE62B, ILE80B, ILE86A, ILE96A, LEU106A, LEU111A, LEU138A, LEU149A, LEU155A, LEU159A, LEU3B, LEU59B, LEU66B, LEU92A, LEU98A, LYS10B, LYS140A, LYS150A, LYS22B, LYS2B, LYS46A, LYS46B, LYS6B, LYS83B, LYS95A, MET1B, MET44B, MET88B, PHE109A, PHE160A, PHE67B, PRO105A, PRO112A, SER115A, SER134A, SER134B, SER137A, SER156A, SER38B, THR120A, THR120B, THR126A, THR12B, THR13B, THR32A, THR32B, THR45B, THR5B, THR7B, THR85B, TYR151A, TYR158A, TYR177A, TYR30B, TYR42A, TYR42B, TYR4B, TYR56B, TYR82B, TYR99A, VAL127A, VAL127B, VAL136A, VAL147A, VAL152A, VAL172A, VAL175A, VAL182A, VAL20B, VAL27B, VAL84B, VAL89A
• A-C: ALA103C, ALA117C, ALA118C, ALA119C, ALA124A, ALA124C, ALA131A, ALA161C, ALA181C, ALA29A, ALA36A, ALA43A, ALA43C, ARG108C, ARG125C, ARG129C, ARG130A, ARG130C, ARG133C, ARG154C, ARG164C, ARG179C, ARG26A, ARG94C, ASN153C, ASN178C, ASN37A, ASN61A, ASP157C, ASP21A, ASP23A, ASP24A, ASP34A, ASP68A, ASP97C, ASP9A, CYS69A, GLN139C, GLN48A, GLN63A, GLU101C, GLU102C, GLU116A, GLU116C, GLU132C, GLU141C, GLU146C, GLU176C, GLU28A, GLU35A, GLU35C, GLU60A, GLU65A, GLU90C, GLU93C, GLY113C, GLY114C, GLY11A, GLY31A, GLY41A, GLY71A, GLY8A, HIS122C, HIS39A, HIS39C, HIS64A, ILE100C, ILE110C, ILE121C, ILE123A, ILE123C, ILE135C, ILE144C, ILE162C, ILE25A, ILE25C, ILE33A, ILE40A, ILE62A, ILE86C, ILE96C, LEU106C, LEU111C, LEU138C, LEU149C, LEU155C, LEU3A, LEU66A, LEU92C, LEU98C, LYS10A, LYS140C, LYS150C, LYS22A, LYS2A, LYS46A, LYS46C, LYS6A, LYS83A, LYS95C, MET1A, MET44A, MET88A, PHE109C, PHE160C, PHE67A, PRO104C, PRO105C, PRO112C, SER115C, SER134A, SER134C, SER137C, SER156C, SER180C, SER38A, THR120A, THR120C, THR126C, THR12A, THR13A, THR32A, THR32C, THR45A, THR45C, THR5A, THR7A, THR85A, TYR151A, TYR151C, TYR158C, TYR177C, TYR30A, TYR42A, TYR42C, TYR4A, TYR56A, TYR99C, VAL127A, VAL127C, VAL128C, VAL136C, VAL147C, VAL152C, VAL172C, VAL175C, VAL20A, VAL27A, VAL84A, VAL89C
• B-C: ALA117B, ALA118B, ALA119B, ALA124B, ALA124C, ALA131C, ALA161B, ALA29C, ALA36C, ALA43B, ALA43C, ARG108B, ARG125B, ARG129B, ARG130B, ARG130C, ARG133B, ARG154B, ARG164B, ARG179B, ARG26C, ARG94B, ASN153B, ASN178B, ASN37C, ASN61C, ASP157B, ASP21C, ASP23C, ASP24C, ASP34C, ASP68C, ASP97B, ASP9C, CYS69C, GLN139B, GLN48C, GLN63C, GLU116B, GLU116C, GLU132B, GLU146B, GLU176B, GLU28B, GLU28C, GLU35B, GLU35C, GLU60C, GLU65C, GLU90B, GLU93B, GLY113B, GLY114B, GLY11C, GLY31C, GLY41C, GLY71C, GLY8C, HIS122B, HIS39B, HIS39C, HIS64C, ILE100B, ILE110B, ILE121B, ILE123B, ILE123C, ILE135B, ILE144B, ILE16C, ILE25B, ILE25C, ILE33C, ILE40C, ILE62C, ILE86B, ILE96B, LEU106B, LEU111B, LEU138B, LEU149B, LEU155B, LEU3C, LEU59C, LEU66C, LEU92B, LEU98B, LYS10C, LYS140B, LYS150B, LYS22C, LYS46B, LYS46C, LYS6C, LYS83C, LYS95B, MET44C, MET88C, PHE109B, PHE160B, PHE67C, PRO112B, SER115B, SER134B, SER134C, SER137B, SER156B, SER38C, THR120B, THR120C, THR126B, THR12C, THR13C, THR32B, THR32C, THR45C, THR5C, THR7C, THR85C, TYR151B, TYR158B, TYR177B, TYR30C, TYR42B, TYR42C, TYR4C, TYR56C, VAL127B, VAL127C, VAL128B, VAL136B, VAL147B, VAL152B, VAL172B, VAL175B, VAL20C, VAL27C, VAL84C, VAL89B