2NYB

crystal structure of e.coli iron superoxide dismutase q69e at 1.1 angstrom resolution

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 94
  • Norm. En. per Res.: -4.5429
• 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	-46.6239	-100.404	-281.531	-428.5589	95	10	1	8970	8	29	32
A-C	0.0	-0.8542	-19.9174	-20.7717	33	0	0	1505	0	8	3
B-C	-11.6682	-25.8388	-101.022	-138.529	56	2	4	3889	5	20	20
B-D	-11.8431	-7.6514	-16.3496	-35.8441	33	1	0	1312	1	8	5
C-D	-48.1082	-100.6505	-278.278	-427.0367	94	13	1	8953	6	27	30

Interface residues

• A-B: ALA141A, ALA141B, ALA161A, ALA161B, ALA169A, ALA169B, ALA68A, ALA68B, ARG167A, ARG167B, ARG170A, ARG170B, ASN117A, ASN117B, ASN140A, ASN140B, ASN168A, ASN168B, ASN37A, ASN37B, ASN65A, ASN65B, ASN66A, ASN66B, ASN72A, ASN72B, ASP165A, ASP165B, GLN32B, GLU159A, GLU159B, GLU21A, GLU21B, GLU24A, GLU24B, GLU69A, GLU69B, GLY119A, GLY119B, GLY121A, GLY121B, GLY142A, GLY142B, GLY28A, GLY28B, GLY61A, GLY61B, GLY62A, GLY62B, HIS160A, HIS160B, HIS26A, HIS26B, HIS30A, HIS30B, HIS31A, HIS73A, HIS73B, ILE115B, ILE164A, ILE164B, LEU41A, LYS116A, LYS116B, LYS29A, LYS29B, PHE118A, PHE118B, PHE64A, PHE64B, SER120A, SER120B, SER139A, SER139B, SER19B, THR22A, THR22B, THR33A, THR33B, TRP122A, TRP158A, TRP158B, TYR162A, TYR162B, TYR163A, TYR163B, TYR166A, TYR166B, TYR25A, TYR25B, TYR34A, TYR34B, VAL157A, VAL157B, VAL70A
• A-C: ALA134C, ALA97C, ALA98C, ASN128C, ASN37A, ASN39A, ASN40A, ASP105C, ASP130C, GLN109C, GLN32A, GLU3A, GLU94C, GLY101C, GLY28A, HIS30A, ILE135C, ILE96C, LEU133C, LEU4A, LYS132C, LYS29A, LYS43A, PHE100C, PHE103C, PHE2A, SER102C, SER1A, SER99C, THR33A, THR36A, TYR25A, VAL35A
• B-C: ALA104B, ALA104C, ALA108B, ALA108C, ALA113B, ALA113C, ALA169B, ALA169C, ALA97B, ALA97C, ARG167B, ARG167C, ARG170B, ARG170C, ASN168B, ASN168C, ASP105B, ASP105C, ASP112B, ASP112C, GLN109B, GLN109C, GLU175B, GLU175C, GLU87B, GLU87C, GLY101B, GLY101C, GLY172B, GLY172C, HIS176B, HIS176C, ILE115B, ILE115C, LEU174B, LEU174C, LYS107B, LYS107C, LYS116B, LYS116C, PHE100B, PHE100C, PHE103B, PHE103C, PHE106B, PHE106C, PRO171B, PRO171C, SER102B, SER102C, THR111B, THR111C, TYR166B, TYR166C, TYR173B, TYR173C
• B-D: ALA134B, ALA97B, ALA98B, ASN128B, ASN37D, ASN39D, ASN40D, ASP105B, ASP130B, GLN109B, GLN32D, GLU3D, GLU94B, GLY101B, GLY28D, HIS30D, ILE135B, ILE96B, LEU133B, LEU4D, LYS132B, LYS29D, LYS43D, PHE100B, PHE103B, PHE2D, SER102B, SER1D, SER99B, THR33D, THR36D, TYR25D, VAL35D
• C-D: ALA141C, ALA141D, ALA161C, ALA161D, ALA169C, ALA169D, ALA68C, ALA68D, ARG167C, ARG167D, ARG170C, ARG170D, ASN117C, ASN117D, ASN140C, ASN140D, ASN168C, ASN168D, ASN37C, ASN37D, ASN65C, ASN65D, ASN66C, ASN66D, ASN72C, ASN72D, ASP165C, ASP165D, GLN32C, GLN32D, GLU159C, GLU159D, GLU21C, GLU21D, GLU24C, GLU24D, GLU69C, GLU69D, GLY119C, GLY119D, GLY121C, GLY121D, GLY142C, GLY142D, GLY28C, GLY28D, GLY61C, GLY61D, GLY62C, GLY62D, HIS160C, HIS160D, HIS26C, HIS26D, HIS30C, HIS30D, HIS73C, HIS73D, ILE164C, ILE164D, LEU41D, LYS116C, LYS116D, LYS29C, LYS29D, PHE118C, PHE118D, PHE64C, PHE64D, SER120C, SER120D, SER139C, SER139D, SER19D, THR22C, THR22D, THR33C, THR33D, TRP122D, TRP158C, TRP158D, TYR162C, TYR162D, TYR163C, TYR163D, TYR166C, TYR166D, TYR25C, TYR25D, TYR34C, TYR34D, VAL157C, VAL157D, VAL70D