2JI2

x-ray structure of e114a mutant of superoxide reductase from desulfoarculus baarsii in the native, reduced form

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 129
  • Norm. En. per Res.: -5.9612
• 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	-224.7883	-21.7004	-522.509	-768.9977	129	27	15	18464	2	20	25
A-D	0.0	-0.9723	-1.8339	-2.8062	15	0	0	277	0	6	10
C-D	-214.0409	-16.4003	-520.247	-750.6882	129	29	15	18245	1	21	24

Interface residues

• A-B: ALA101A, ALA101B, ALA84A, ALA84B, ARG113A, ARG113B, ARG4A, ARG4B, ASN117A, ASN117B, ASN15A, ASN15B, ASN21A, ASN21B, ASN31A, ASN31B, ASP33A, ASP33B, ASP85A, ASP85B, ASP86A, ASP86B, CYS10A, CYS10B, CYS13A, CYS13B, CYS29A, CYS29B, CYS30A, CYS30B, CYS88A, CYS88B, GLN32A, GLN32B, GLN6A, GLN6B, GLN78A, GLN78B, GLN91A, GLN91B, GLN97A, GLN97B, GLU106A, GLU106B, GLU18A, GLU18B, GLU26A, GLU26B, GLU3A, GLU3B, GLU81A, GLU81B, GLY14A, GLY14B, GLY22A, GLY22B, GLY23A, GLY23B, GLY25A, GLY25B, GLY58A, GLY58B, GLY59A, GLY59B, HIS121A, HIS121B, ILE105A, ILE105B, ILE16A, ILE16B, ILE24A, ILE24B, ILE80A, ILE80B, LEU104A, LEU104B, LEU20A, LEU20B, LEU27A, LEU27B, LEU5A, LEU5B, LEU82A, LEU82B, LEU83A, LEU83B, LEU93A, LEU93B, LYS87A, LYS87B, LYS94A, LYS94B, LYS9A, LYS9B, MET1A, MET34A, MET34B, MET37A, MET37B, PHE103A, PHE103B, PHE92A, PHE92B, PRO2A, PRO2B, THR90A, THR90B, TRP79A, TRP79B, TYR115A, TYR115B, TYR76A, TYR76B, TYR89A, TYR89B, TYR8A, TYR8B, VAL102A, VAL102B, VAL12A, VAL12B, VAL17A, VAL17B, VAL19A, VAL19B, VAL28A, VAL28B, VAL7A, VAL7B
• A-D: ALA107A, ALA108A, ASN31D, ASP33D, ASP57A, CYS30D, GLN32D, GLU106A, GLU11D, GLU26D, GLY58A, GLY59A, ILE56A, LYS55A, VAL12D
• C-D: ALA101C, ALA101D, ALA84C, ALA84D, ARG113C, ARG113D, ARG4C, ARG4D, ASN117C, ASN117D, ASN15C, ASN15D, ASN21C, ASN21D, ASN31C, ASN31D, ASP33C, ASP33D, ASP85C, ASP85D, ASP86C, ASP86D, CYS10C, CYS10D, CYS13C, CYS13D, CYS29C, CYS29D, CYS30C, CYS30D, CYS88C, CYS88D, GLN32C, GLN32D, GLN6C, GLN6D, GLN78C, GLN78D, GLN91C, GLN91D, GLN97C, GLN97D, GLU106C, GLU106D, GLU18C, GLU18D, GLU26C, GLU26D, GLU3C, GLU3D, GLU81C, GLU81D, GLY14C, GLY14D, GLY22C, GLY22D, GLY23C, GLY23D, GLY25C, GLY25D, GLY58C, GLY58D, GLY59C, GLY59D, HIS121C, HIS121D, ILE105C, ILE105D, ILE16C, ILE16D, ILE24C, ILE24D, ILE80C, ILE80D, LEU104C, LEU104D, LEU20C, LEU20D, LEU27C, LEU27D, LEU5C, LEU5D, LEU82C, LEU82D, LEU83C, LEU83D, LEU93C, LEU93D, LYS87C, LYS87D, LYS94C, LYS94D, LYS9C, LYS9D, MET1C, MET34C, MET34D, MET37C, MET37D, PHE103C, PHE103D, PHE92C, PHE92D, PRO2C, PRO2D, THR90C, THR90D, TRP79C, TRP79D, TYR115C, TYR115D, TYR76C, TYR76D, TYR89C, TYR89D, TYR8C, TYR8D, VAL102C, VAL102D, VAL12C, VAL12D, VAL17C, VAL17D, VAL19C, VAL19D, VAL28C, VAL28D, VAL7C, VAL7D