3NRD

crystal structure of a histidine triad (hit) protein (smc02904) from sinorhizobium meliloti 1021 at 2.06 a resolution

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 126
  • Norm. En. per Res.: -5.4248
• Hub Node: A(1)

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	-154.387	-96.8284	-432.304	-683.5194	126	23	11	16020	7	30	27
B-C	-31.2556	31.2793	-115.226	-115.2023	66	3	0	4238	6	29	22
C-D	-128.1819	-71.9331	-405.051	-605.1659	123	20	11	15125	5	30	25

Interface residues

• A-B: ALA57A, ALA57B, ALA67A, ALA67B, ALA68A, ALA68B, ALA76A, ALA76B, ALA83A, ALA83B, ALA97A, ALA97B, ARG89A, ARG89B, ARG98A, ARG98B, ARG99A, ARG99B, ASN104A, ASN104B, ASN64A, ASN64B, ASN80A, ASN80B, ASN86A, ASN86B, ASP102A, ASP102B, ASP55A, ASP55B, GLN56A, GLN56B, GLN90A, GLN90B, GLU100A, GLU100B, GLU47A, GLU47B, GLU50A, GLU50B, GLU62B, GLU77A, GLU77B, GLY107A, GLY107B, GLY111A, GLY111B, GLY69A, GLY69B, GLY82A, GLY82B, GLY85A, GLY85B, HIS92A, HIS92B, HIS94A, HIS94B, ILE45A, ILE45B, ILE79A, ILE79B, ILE81A, ILE81B, ILE87A, ILE87B, ILE96A, ILE96B, LEU51A, LEU51B, LEU54B, LEU59A, LEU59B, LEU65A, LEU65B, LEU70A, LEU70B, LEU84A, LEU84B, LEU91A, LEU91B, LYS46A, LYS46B, LYS71A, LYS71B, LYS72A, LYS72B, LYS78A, LYS78B, PHE112A, PHE112B, PHE49A, PHE49B, PHE61A, PHE61B, PRO103A, PRO103B, PRO106A, PRO106B, PRO108A, PRO108B, PRO53A, PRO53B, THR52A, THR52B, THR60A, THR60B, THR63A, THR63B, TRP105A, TRP105B, TRP110A, TRP110B, TRP33A, TRP33B, VAL109A, VAL109B, VAL48A, VAL48B, VAL66A, VAL66B, VAL88A, VAL88B, VAL93A, VAL93B, VAL95A, VAL95B
• B-C: ALA127B, ALA127C, ALA128B, ALA128C, ALA43B, ALA43C, ARG124B, ARG124C, ARG12B, ARG12C, ARG26B, ARG26C, ARG42B, ASP13C, ASP7B, ASP7C, CYS23B, CYS23C, GLN24B, GLN24C, GLN41B, GLN41C, GLU11B, GLU11C, GLU120B, GLU120C, GLU132B, GLU132C, GLU8B, GLU8C, GLY14B, GLY14C, GLY18B, GLY18C, GLY21B, GLY21C, HIS123B, HIS123C, ILE130B, ILE130C, ILE15B, ILE15C, ILE17B, ILE17C, LEU10B, LEU10C, LEU134B, LEU134C, LEU20B, LEU20C, LEU27B, LEU27C, LEU6B, LEU6C, PHE4B, PHE4C, PRO16B, PRO16C, THR19B, THR19C, THR2B, THR2C, THR3B, THR3C, THR5B, THR5C
• C-D: ALA57C, ALA57D, ALA67C, ALA67D, ALA68C, ALA68D, ALA76C, ALA76D, ALA83C, ALA83D, ALA97C, ALA97D, ARG89C, ARG89D, ARG98C, ARG98D, ARG99C, ARG99D, ASN104C, ASN104D, ASN64C, ASN64D, ASN80C, ASN80D, ASN86C, ASN86D, ASP102C, ASP102D, ASP55C, ASP55D, GLN56C, GLN56D, GLN90C, GLN90D, GLU100C, GLU100D, GLU47C, GLU47D, GLU50C, GLU50D, GLU77C, GLU77D, GLY107C, GLY107D, GLY111C, GLY111D, GLY69C, GLY69D, GLY82C, GLY82D, GLY85C, GLY85D, HIS92C, HIS92D, HIS94C, HIS94D, ILE45C, ILE45D, ILE79C, ILE79D, ILE81C, ILE81D, ILE87C, ILE87D, ILE96C, ILE96D, LEU51C, LEU51D, LEU54C, LEU59C, LEU59D, LEU65C, LEU65D, LEU70C, LEU70D, LEU84C, LEU84D, LEU91C, LEU91D, LYS46C, LYS46D, LYS71C, LYS71D, LYS72C, LYS72D, LYS78C, LYS78D, PHE112C, PHE112D, PHE49C, PHE49D, PHE61C, PHE61D, PRO103C, PRO106C, PRO106D, PRO108C, PRO108D, PRO53C, PRO53D, THR52C, THR52D, THR60C, THR60D, THR63C, THR63D, TRP105C, TRP105D, TRP110C, TRP110D, TRP33C, VAL109C, VAL109D, VAL48C, VAL48D, VAL66C, VAL66D, VAL88C, VAL88D, VAL93C, VAL93D, VAL95C, VAL95D