2ZHY

crystal structure of a pduo-type atp:cobalamin adenosyltransferase from burkholderia thailandensis

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 128
  • Norm. En. per Res.: -5.627
• 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	-86.1131	-221.6281	-370.405	-678.1462	128	15	9	14087	16	54	55
A-C	-23.6859	-122.8128	-183.059	-329.5577	77	12	6	7559	7	24	23
B-C	-80.5264	-256.6599	-383.071	-720.2573	128	18	9	14547	17	53	52

Interface residues

• A-B: ALA115A, ALA118A, ALA119A, ALA121A, ALA131B, ALA137A, ALA140A, ALA146A, ALA147A, ALA31B, ALA34B, ALA35B, ALA51B, ALA64B, ALA87A, ALA90A, ALA97A, ALA9B, ARG116A, ARG116B, ARG11B, ARG125A, ARG129A, ARG130A, ARG130B, ARG133A, ARG149A, ARG150A, ARG154A, ARG25B, ARG27B, ARG32B, ARG59B, ARG91A, ASN100A, ASN145A, ASN153A, ASN43B, ASP14B, ASP157A, ASP15B, ASP29B, ASP30B, ASP38B, ASP40B, ASP68B, ASP71B, ASP86A, ASP93A, CYS124A, CYS124B, CYS128A, GLN45A, GLN45B, GLN66B, GLU108A, GLU132A, GLU41A, GLU41B, GLU52B, GLY113A, GLY114A, GLY117A, GLY139A, GLY13B, GLY16B, GLY37B, GLY47B, GLY94A, HIS122A, HIS67B, HIS88A, ILE110A, ILE135A, ILE33B, ILE36B, ILE46B, ILE65B, ILE78B, ILE8B, LEU111A, LEU120A, LEU120B, LEU138A, LEU155A, LEU158A, LEU176A, LEU42B, LEU49B, LEU50B, LEU62B, LEU69B, LEU89A, LEU92A, LEU96A, LYS28B, LYS7B, PHE109A, PHE160A, PHE70B, PRO112A, PRO53B, SER134A, SER134B, SER141A, SER156A, SER44B, SER63B, SER6B, THR10B, THR126A, THR12B, THR17B, THR18B, THR85A, TYR151A, VAL123A, VAL123B, VAL127A, VAL127B, VAL136A, VAL152A, VAL161A, VAL175A, VAL26B, VAL39B, VAL48A, VAL48B
• A-C: ALA115C, ALA118C, ALA119C, ALA121C, ALA131A, ALA137C, ALA140C, ALA31A, ALA34A, ALA35A, ALA51A, ALA64A, ARG116A, ARG116C, ARG125C, ARG129C, ARG130A, ARG130C, ARG133C, ARG32A, ARG59A, ASN43A, ASP30A, ASP30A5, ASP38A, ASP40A, ASP68A, ASP71A, CB7.19761-10.94721, CYS124C, CYS128C, GLN45A, GLN45C, GLN66A, GLU108C, GLU132C, GLU41A, GLU41C, GLU52A, GLU52C, GLY113C, GLY114C, GLY117C, GLY37A, GLY47A, HIS122C, HIS67A, ILE110C, ILE33A, ILE36A, ILE46A, ILE65A, LEU111C, LEU120A, LEU120C, LEU42A, LEU49A, LEU50A, LEU62A, LEU69A, PHE109C, PHE160C, PHE70A, PRO112C, PRO53A, SER134A, SER44A, SER63A, THR126C, VAL123A, VAL123C, VAL127A, VAL127C, VAL136C, VAL39A, VAL48A, VAL48C
• B-C: ALA115B, ALA118B, ALA119B, ALA121B, ALA131C, ALA137B, ALA140B, ALA146B, ALA147B, ALA31C, ALA34C, ALA35C, ALA51C, ALA64C, ALA87B, ALA90B, ALA97B, ALA9C, ARG116B, ARG116C, ARG11C, ARG125B, ARG129B, ARG130B, ARG130C, ARG133B, ARG149B, ARG150B, ARG154B, ARG25C, ARG27C, ARG32C, ARG59C, ARG91B, ASN100B, ASN153B, ASN43C, ASP14C, ASP157B, ASP15C, ASP29C, ASP30C, ASP38B, ASP38C, ASP40C, ASP68C, ASP71C, ASP86B, ASP93B, CYS124B, CYS128B, GLN45B, GLN45C, GLN66C, GLU108B, GLU132B, GLU41B, GLU41C, GLU52B, GLU52C, GLY113B, GLY114B, GLY117B, GLY139B, GLY13C, GLY16C, GLY37C, GLY47C, GLY94B, HIS122B, HIS67C, HIS88B, ILE110B, ILE135B, ILE33C, ILE36C, ILE46C, ILE65C, ILE8C, LEU111B, LEU120B, LEU120C, LEU138B, LEU155B, LEU158B, LEU176B, LEU42C, LEU49C, LEU50C, LEU5C, LEU62C, LEU69C, LEU89B, LEU92B, LEU96B, LYS28C, LYS7C, PHE109B, PHE160B, PHE70C, PRO112B, PRO53C, SER134B, SER134C, SER141B, SER156B, SER44C, SER63C, SER6C, THR10C, THR126B, THR12C, THR17C, THR18C, THR85B, TYR151B, VAL123B, VAL123C, VAL127B, VAL127C, VAL136B, VAL152B, VAL161B, VAL175B, VAL26C, VAL39C, VAL48B, VAL48C