1XJF

structural mechanism of allosteric substrate specificity in a ribonucleotide reductase: datp complex

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 130
  • Norm. En. per Res.: -3.0353
• 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	-45.4353	-47.1576	-302.0	-394.5929	130	20	18	14658	6	25	43

Interface residues

• A-B: ALA149A, ALA149B, ALA154A, ALA154B, ALA178A, ALA178B, ALA184A, ALA184B, ALA197A, ALA197B, ALA97A, ARG171B, ARG208B, ARG26A, ASN126A, ASN126B, ASN195A, ASN195B, ASN96A, ASN96B, ASP31A, GLN203A, GLN203B, GLU144A, GLU144B, GLU145A, GLU145B, GLU148A, GLU148B, GLU152A, GLU152B, GLY160A, GLY160B, GLY174B, GLY179A, GLY179B, GLY182A, GLY182B, GLY186A, GLY186B, GLY204A, GLY204B, HIS127A, HIS127B, HIS129A, HIS129B, HIS181A, HIS181B, HIS192A, HIS192B, ILE143A, ILE143B, ILE146A, ILE146B, ILE156A, ILE156B, ILE198A, ILE198B, ILE376A, ILE376B, LEU128A, LEU128B, LEU131A, LEU155A, LEU155B, LEU170A, LEU32A, LEU32B, LEU99A, LEU99B, LYS151A, LYS151B, LYS158A, LYS158B, LYS173A, LYS173B, LYS183A, LYS183B, LYS202A, LYS202B, LYS30A, MET130A, MET130B, MET191A, MET191B, MET29A, MET29B, PHE147A, PHE147B, PHE176A, PHE176B, PHE190A, PHE190B, PHE194A, PHE194B, PHE95A, PHE95B, PRO187A, PRO92A, PRO92B, SER142A, SER142B, SER185A, SER185B, SER189A, SER189B, SER196A, SER196B, SER199A, SER199B, THR157A, THR157B, THR180A, THR180B, TYR153A, TYR153B, VAL150A, VAL150B, VAL159A, VAL159B, VAL177A, VAL177B, VAL188A, VAL188B, VAL193A, VAL193B, VAL200A, VAL200B, VAL201A, VAL201B