1MBX

crystal structure analysis of clpsn with transition metal ion bound

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 77
  • Norm. En. per Res.: -3.2767
• 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-C	-35.9812	15.2766	-197.155	-217.8595	80	12	2	7994	6	21	20
A-D	0.0	15.5176	-95.0474	-79.5298	39	2	2	4092	2	6	15
B-D	-53.6616	-6.0014	-192.641	-252.3041	77	10	3	7665	6	15	17

Interface residues

• A-C: ALA120A, ALA121A, ALA21C, ALA78C, ALA81C, ALA86C, ARG125A, ARG76A, ARG86A, ASP20C, ASP77A, GLN116A, GLN119A, GLN48C, GLN64A, GLN79A, GLN85A, GLU115A, GLU117A, GLU128A, GLU23A, GLU28A, GLU73A, GLU75A, GLU79C, GLU82C, HIS127A, HIS29A, ILE62A, LEU103C, LEU123A, LEU124A, LEU22C, LEU30A, LEU69A, LEU82A, LYS105C, LYS126A, LYS23C, LYS49C, LYS84C, LYS90C, MET25A, MET27C, MET87C, PHE24A, PHE50C, PHE51C, PHE61A, PHE76C, PHE84A, PRO24C, PRO25C, PRO67A, PRO70A, PRO80A, SER118A, SER26C, SER52C, SER72A, SER83A, THR26A, THR65A, THR66A, THR77C, THR78A, THR81A, THR83C, TYR122A, TYR28C, TYR91C, VAL129A, VAL27A, VAL46C, VAL68A, VAL75C, VAL80C, VAL85C, VAL87A, VAL88C
• A-D: ALA13A, ALA15A, ALA17A, ALA58D, ARG16A, ARG18A, ARG21A, ARG57D, ASN11A, ASN3A, ASP45D, ASP54D, ASP77A, GLN48D, GLN4A, GLN60D, GLU19A, GLU41D, GLU56D, GLU5A, GLU7A, HIS20A, HIS66D, ILE44D, LEU10A, LEU2A, LEU63D, LEU6A, LEU8A, MET12A, MET40D, MET62D, PHE14A, PHE42D, SER36A, SER9A, THR59D, TYR67D, VAL55D
• B-D: ALA120B, ALA121B, ALA21D, ALA78D, ALA81D, ALA86D, ARG125B, ARG76B, ARG86B, ASP77B, GLN116B, GLN119B, GLN48D, GLN64B, GLN79B, GLN85B, GLU115B, GLU117B, GLU128B, GLU23B, GLU28B, GLU73B, GLU75B, GLU79D, GLU82D, HIS127B, HIS29B, ILE62B, LEU103D, LEU123B, LEU124B, LEU22D, LEU30B, LEU69B, LEU82B, LYS105D, LYS126B, LYS23D, LYS49D, LYS84D, LYS90D, MET25B, MET27D, MET87D, PHE24B, PHE50D, PHE51D, PHE61B, PHE76D, PHE84B, PRO24D, PRO25D, PRO67B, PRO70B, PRO80B, SER118B, SER26D, SER52D, SER83B, THR26B, THR65B, THR66B, THR77D, THR81B, THR83D, TYR122B, TYR28D, TYR53D, VAL129B, VAL27B, VAL46D, VAL68B, VAL75D, VAL80D, VAL85D, VAL87B, VAL88D