1MDK

high resolution solution nmr structure of mixed disulfide intermediate between human thioredoxin (c35a, c62a, c69a, c73a) mutant and a 13 residue peptide comprising its target site in human nfkb (residues 56-68 of the p50 subunit of nfkb)

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 53
  • Norm. En. per Res.: 10.0477
• 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	-6.1347	-47.3444	586.009	532.5299	53	21	2	6910	1	17	8

Interface residues

• A-B: ALA29A, ALA35A, ALA62A, ALA66A, ALA69A, ALA73A, ALA92A, ARG2B, ARG4B, ASN93A, ASP58A, ASP60A, ASP61A, ASP64A, CYS32A, CYS7B, GLN4A, GLN63A, GLN78A, GLU70A, GLU8B, GLY13B, GLY33A, GLY91A, GLY9B, HIS12B, ILE38A, LYS36A, LYS72A, LYS94A, MET37A, PHE1B, PHE27A, PHE3B, PHE77A, PHE89A, PRO10B, PRO34A, PRO40A, PRO75A, SER11B, SER28A, SER67A, SER90A, THR30A, THR74A, THR76A, TRP31A, TYR5B, VAL57A, VAL59A, VAL6B, VAL71A