3LL5

crystal structure of t. acidophilum isopentenyl phosphate kinase product complex

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 138
  • Norm. En. per Res.: -3.1119
• 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	-7.6304	10.7585	-93.4464	-90.3183	71	2	0	4678	0	38	29
A-C	-10.0509	-9.9755	-409.421	-429.4475	138	15	7	17137	8	41	49
B-D	-6.4893	5.9344	-406.841	-407.3959	136	12	7	17137	4	42	49

Interface residues

• A-B: ALA179A, ALA179B, ALA24B, ARG175B, ARG183A, ARG183B, ARG21B, ARG230B, ARG245A, ASN176B, ASN188A, ASN218A, ASN224B, ASN226B, ASP13B, ASP157A, ASP164B, ASP166B, ASP172B, ASP178A, ASP178B, ASP184A, ASP186A, ASP233A, GLU229B, GLU237A, GLY219A, GLY225B, GLY235A, HIS227B, ILE168A, ILE185A, ILE234A, ILE240A, ILE240B, ILE244A, LEU181A, LEU181B, LEU182A, LYS14B, LYS171B, LYS174B, LYS213A, LYS217A, LYS236A, LYS30B, PHE239A, PRO173B, PRO177A, PRO177B, PRO228B, SER15B, SER170A, SER170B, SER238A, SER27B, SER9B, THR12B, THR187A, TYR169A, TYR169B, TYR221A, TYR23B, VAL10B, VAL158A, VAL165B, VAL180A, VAL180B, VAL216A, VAL220A, VAL243A
• A-C: ALA102A, ALA102C, ALA120A, ALA120C, ALA87A, ALA87C, ARG104A, ARG104C, ARG108A, ARG116A, ARG116C, ARG18A, ARG26C, ARG65A, ARG65C, ARG75A, ARG75C, ARG94A, ARG94C, ASN63A, ASN63C, ASN79A, ASN79C, ASP106A, ASP106C, ASP110A, ASP110C, ASP119A, ASP119C, ASP129A, ASP129C, ASP134A, ASP134C, ASP76A, ASP76C, ASP81A, ASP81C, ASP86A, ASP86C, GLU135A, GLU135C, GLU78A, GLU78C, GLU90A, GLU90C, GLY107A, GLY107C, GLY121A, GLY121C, GLY139C, GLY69A, GLY69C, GLY92A, GLY92C, HIS136C, HIS74A, HIS74C, ILE100A, ILE100C, ILE115A, ILE118A, ILE118C, ILE132A, ILE132C, ILE68A, ILE68C, ILE72A, ILE72C, ILE85A, ILE85C, ILE89A, ILE89C, ILE96A, ILE96C, LEU103A, LEU103C, LEU114A, LEU114C, LEU58A, LEU58C, LEU80A, LEU80C, LEU82A, LEU82C, LYS133C, LYS62A, LYS62C, PHE109A, PHE109C, PHE122A, PHE122C, PHE56A, PRO113A, PRO113C, PRO64A, PRO64C, PRO95A, PRO95C, PRO99A, PRO99C, SER101A, SER101C, SER137C, SER66A, SER66C, SER67A, SER67C, SER71A, SER71C, SER97A, SER97C, THR112A, THR112C, TYR105A, TYR105C, TYR111A, TYR111C, TYR117A, TYR117C, TYR127A, TYR127C, TYR131A, TYR131C, TYR138A, TYR138C, TYR17A, TYR70A, TYR70C, VAL123A, VAL123C, VAL130A, VAL130C, VAL73A, VAL73C, VAL84A, VAL84C, VAL98A, VAL98C
• B-D: ALA102B, ALA102D, ALA120B, ALA120D, ALA87B, ALA87D, ARG104B, ARG104D, ARG108B, ARG108D, ARG116B, ARG116D, ARG18B, ARG65B, ARG65D, ARG75B, ARG75D, ARG94B, ARG94D, ASN63B, ASN63D, ASN79B, ASN79D, ASP106B, ASP106D, ASP110B, ASP110D, ASP119B, ASP119D, ASP129B, ASP129D, ASP134B, ASP134D, ASP76B, ASP76D, ASP81B, ASP81D, ASP86B, ASP86D, GLU135B, GLU135D, GLU78B, GLU78D, GLU90B, GLU90D, GLY107B, GLY107D, GLY121B, GLY121D, GLY69B, GLY69D, GLY92B, GLY92D, HIS74B, HIS74D, ILE100B, ILE100D, ILE115B, ILE118B, ILE118D, ILE132B, ILE132D, ILE68B, ILE68D, ILE72B, ILE72D, ILE85B, ILE85D, ILE89B, ILE89D, ILE96B, ILE96D, LEU103B, LEU103D, LEU114B, LEU114D, LEU58B, LEU58D, LEU80B, LEU80D, LEU82B, LEU82D, LYS133D, LYS52D, LYS62B, LYS62D, PHE109B, PHE109D, PHE122B, PHE122D, PHE56D, PRO113B, PRO113D, PRO64B, PRO64D, PRO95B, PRO95D, PRO99B, PRO99D, SER101B, SER101D, SER137D, SER66B, SER66D, SER67B, SER67D, SER71B, SER71D, SER97B, SER97D, THR112B, THR112D, TYR105B, TYR105D, TYR111B, TYR111D, TYR117B, TYR117D, TYR127B, TYR127D, TYR131B, TYR131D, TYR138B, TYR138D, TYR70B, TYR70D, VAL123B, VAL123D, VAL130B, VAL130D, VAL73B, VAL73D, VAL84B, VAL84D, VAL98B, VAL98D