2YFD

structural and functional insights of dr2231 protein, the mazg-like nucleoside triphosphate pyrophosphohydrolase from deinococcus radiodurans, complexed with mg and dump

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 236
  • Norm. En. per Res.: -4.4196
• Hub Node: A(3)

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	-80.4131	-126.572	-836.029	-1043.0141	236	17	58	35980	8	84	83
A-C	-4.5846	22.939	-44.5735	-26.2191	25	1	0	1388	0	12	7
A-D	-3.3299	-27.8543	-30.1436	-61.3278	24	0	0	1422	1	11	11
B-C	-2.6483	-27.1456	-28.6032	-58.3971	23	0	0	1386	1	11	11
B-D	0.0	-21.3395	-5.2584	-26.5979	23	0	1	396	1	26	18
C-D	-66.3724	-97.3148	-103.812	-267.4993	238	22	58	35918	6	84	82

Interface residues

• A-B: ALA100A, ALA100B, ALA103A, ALA103B, ALA108A, ALA108B, ALA113A, ALA113B, ALA119A, ALA11A, ALA11B, ALA132A, ALA132B, ALA20A, ALA20B, ALA23B, ALA49A, ALA49B, ALA53A, ALA53B, ALA60A, ALA60B, ALA63A, ALA63B, ALA67A, ALA67B, ALA70A, ALA70B, ALA74A, ALA74B, ALA77A, ALA77B, ALA81A, ALA81B, ALA90A, ALA90B, ALA98A, ALA98B, ARG107A, ARG107B, ARG117A, ARG118A, ARG135A, ARG135B, ARG13A, ARG13B, ARG19A, ARG19B, ARG28A, ARG28B, ARG38A, ARG38B, ARG40A, ARG40B, ARG52A, ARG52B, ARG61A, ASN109A, ASN109B, ASN10A, ASN10B, ASP120A, ASP133A, ASP133B, ASP45A, ASP45B, ASP56A, ASP56B, ASP72A, ASP72B, ASP82A, ASP82B, ASP92A, ASP92B, ASP97A, ASP97B, ASP99A, ASP99B, GLN123A, GLN142A, GLN142B, GLN41A, GLN41B, GLN62A, GLN62B, GLN93A, GLN93B, GLU104A, GLU104B, GLU12A, GLU12B, GLU139A, GLU139B, GLU16A, GLU16B, GLU35A, GLU35B, GLU46A, GLU46B, GLU47A, GLU47B, GLU50B, GLU54A, GLU54B, GLU66A, GLU66B, GLU79A, GLU79B, GLY115A, GLY115B, GLY121A, GLY136A, GLY136B, GLY22A, GLY22B, GLY71A, GLY71B, GLY89A, GLY89B, GLY95A, GLY95B, HIS106A, HIS106B, HIS143A, HIS15A, HIS15B, HIS18A, HIS18B, HIS57A, HIS57B, HIS78A, HIS78B, ILE138A, ILE138B, ILE21A, ILE21B, ILE55A, ILE55B, ILE96A, ILE96B, LEU110A, LEU110B, LEU124A, LEU141A, LEU141B, LEU14A, LEU14B, LEU36A, LEU36B, LEU37A, LEU37B, LEU39A, LEU39B, LEU43B, LEU44A, LEU44B, LEU58A, LEU58B, LEU59A, LEU59B, LEU68A, LEU68B, LEU73A, LEU73B, LEU76A, LEU76B, LEU80A, LEU80B, LEU83A, LEU83B, LEU84A, LEU84B, LEU91A, LEU91B, LEU94A, LEU94B, LYS112A, LYS112B, LYS122A, LYS125A, PHE102A, PHE102B, PHE17A, PHE17B, PRO131A, PRO131B, PRO29A, PRO29B, PRO31A, PRO31B, PRO32A, PRO32B, PRO33A, PRO33B, PRO34A, PRO34B, PRO75A, PRO75B, PRO7A, PRO7B, PRO8A, PRO8B, SER111A, SER111B, SER114A, SER114B, SER48A, SER48B, SER69A, SER69B, THR30A, THR30B, THR42A, THR42B, THR87A, THR87B, THR9A, THR9B, TRP129A, TRP129B, TYR85A, TYR85B, TYR88A, TYR88B, VAL101A, VAL101B, VAL105A, VAL105B, VAL134A, VAL134B, VAL137A, VAL137B, VAL51A, VAL51B, VAL86A, VAL86B
• A-C: ARG130A, ARG130C, ARG135A, ARG135C, ASP133A, ASP133C, GLN142A, GLN142C, GLU127A, GLU127C, GLU139A, GLU139C, GLY128A, GLY128C, GLY136A, GLY136C, HIS143A, LYS125A, LYS125C, PRO126A, PRO126C, PRO131A, PRO131C, TRP129A, TRP129C
• A-D: ALA119A, ALA60D, ALA63D, ALA64D, ALA67D, ALA70D, ARG117A, ARG118A, ARG61D, ASP120A, ASP72D, GLN62D, GLU127A, GLU66D, GLY121A, GLY128A, GLY65D, GLY71D, LEU124A, LEU68D, LYS122A, LYS125A, PRO116A, SER69D
• B-C: ALA119C, ALA60B, ALA63B, ALA64B, ALA67B, ARG117C, ARG118C, ARG61B, ASP120C, ASP72B, GLN62B, GLU127C, GLU66B, GLY121C, GLY128C, GLY65B, GLY71B, LEU124C, LEU68B, LYS122C, LYS125C, PRO116C, SER69B
• B-D: ALA49B, ALA49D, ALA53B, ALA53D, ALA60B, ALA60D, ALA64B, ALA64D, ARG61B, ARG61D, GLU46B, GLU46D, GLU47B, GLU50B, GLU50D, GLU54B, GLU54D, GLU66B, GLU66D, HIS57B, HIS57D, THR42B, THR42D
• C-D: ALA100C, ALA100D, ALA103C, ALA103D, ALA108C, ALA108D, ALA113C, ALA113D, ALA119C, ALA11C, ALA11D, ALA132C, ALA132D, ALA20C, ALA20D, ALA23D, ALA49C, ALA49D, ALA53C, ALA53D, ALA60C, ALA60D, ALA63C, ALA63D, ALA67C, ALA67D, ALA70C, ALA70D, ALA74C, ALA74D, ALA77C, ALA77D, ALA81C, ALA81D, ALA90C, ALA90D, ALA98C, ALA98D, ARG107C, ARG107D, ARG117C, ARG118C, ARG135C, ARG135D, ARG13C, ARG13D, ARG19C, ARG19D, ARG28C, ARG28D, ARG38C, ARG38D, ARG40C, ARG40D, ARG52C, ARG52D, ARG61C, ARG61D, ASN109C, ASN109D, ASN10C, ASN10D, ASP120C, ASP133C, ASP133D, ASP45C, ASP45D, ASP56C, ASP56D, ASP72C, ASP72D, ASP82C, ASP82D, ASP92C, ASP92D, ASP97C, ASP97D, ASP99C, ASP99D, CYS6C, CYS6D, GLN123C, GLN142C, GLN142D, GLN41C, GLN41D, GLN62C, GLN62D, GLN93C, GLN93D, GLU104C, GLU104D, GLU12C, GLU12D, GLU139C, GLU139D, GLU16C, GLU16D, GLU35C, GLU35D, GLU46D, GLU47C, GLU47D, GLU50D, GLU54C, GLU54D, GLU66C, GLU79C, GLU79D, GLY115C, GLY115D, GLY121C, GLY136C, GLY136D, GLY22C, GLY22D, GLY71C, GLY71D, GLY89C, GLY89D, GLY95C, GLY95D, HIS106C, HIS106D, HIS15C, HIS15D, HIS18C, HIS18D, HIS57C, HIS57D, HIS78C, HIS78D, ILE138C, ILE138D, ILE21C, ILE21D, ILE55C, ILE55D, ILE96C, ILE96D, LEU110C, LEU110D, LEU124C, LEU141C, LEU141D, LEU14C, LEU14D, LEU36C, LEU36D, LEU37C, LEU37D, LEU39C, LEU39D, LEU43D, LEU44C, LEU44D, LEU58C, LEU58D, LEU59C, LEU59D, LEU68C, LEU68D, LEU73C, LEU73D, LEU76C, LEU76D, LEU80C, LEU80D, LEU83C, LEU83D, LEU84C, LEU84D, LEU91C, LEU91D, LEU94C, LEU94D, LYS112C, LYS112D, LYS122C, LYS125C, PHE102C, PHE102D, PHE17C, PHE17D, PRO116C, PRO131C, PRO131D, PRO26D, PRO29C, PRO29D, PRO31C, PRO31D, PRO32C, PRO32D, PRO33C, PRO33D, PRO34C, PRO34D, PRO75C, PRO75D, PRO7C, PRO7D, PRO8C, PRO8D, SER111C, SER111D, SER114C, SER114D, SER48C, SER48D, SER69C, SER69D, THR30C, THR30D, THR42C, THR42D, THR87C, THR87D, THR9C, THR9D, TRP129C, TRP129D, TYR85C, TYR85D, TYR88C, TYR88D, VAL101C, VAL101D, VAL105C, VAL105D, VAL134C, VAL134D, VAL137C, VAL137D, VAL51C, VAL51D, VAL86C, VAL86D