2DH1

crystal structure of peanut lectin lactose-azobenzene-4,4'- dicarboxylic acid-lactose complex

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 6
  • Norm. En. per Res.: -0.0393
• 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	0.0	0.0	-0.2357	-0.2357	6	0	0	37	0	0	0
A-D	0.0	0.0	-1.5216	-1.5216	50	0	0	576	0	0	0
B-C	0.0	0.0	-1.1511	-1.1511	44	0	0	469	0	0	0

Interface residues

• A-B: ASN131A, ASN131B, GLU129A, GLU129B, LYS112A, LYS112B
• A-D: ALA177A, ALA177D, ALA189A, ALA189D, ALA1A, ALA1D, ASP168A, ASP168D, ASP184A, ASP184D, GLU2A, GLY183A, GLY183D, ILE166A, ILE166D, ILE185A, ILE185D, ILE188A, ILE188D, LEU66A, LEU66D, PHE65A, PHE65D, SER169A, SER169D, SER170A, SER170D, SER175A, SER175D, SER227A, SER227D, SER5A, SER64A, SER64D, THR171A, THR171D, THR173D, THR186A, THR186D, THR187A, THR187D, THR226A, THR226D, THR228A, THR228D, THR3A, THR3D, TYR167A, TYR167D, VAL176D
• B-C: ALA177B, ALA177C, ALA189B, ALA189C, ALA1B, ALA1C, ASP168B, ASP168C, ASP184B, ASP184C, GLY183B, ILE166B, ILE166C, ILE185B, ILE185C, ILE188B, ILE188C, LEU66C, PHE65B, PHE65C, SER169B, SER169C, SER170B, SER170C, SER175B, SER175C, SER227B, SER227C, SER64B, SER64C, THR171B, THR171C, THR186B, THR187B, THR187C, THR226B, THR226C, THR228B, THR228C, THR3B, THR3C, TYR167B, TYR167C, VAL176C