3QXG

crystal structure of pyrophosphatase from bacteroides thetaiotaomicron complexed with calcium, a closed cap conformation

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 81
  • Norm. En. per Res.: -1.0496
• 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	-11.9886	35.0082	-108.035	-85.0155	81	0	0	5508	0	35	40

Interface residues

• A-B: ALA164A, ALA164B, ALA179A, ALA179B, ALA183A, ALA183B, ARG49A, ARG49B, ARG61A, ARG61B, ASN149A, ASN149B, ASN56A, ASN56B, ASP202A, ASP202B, GLN60A, GLN60B, GLU151A, GLU151B, GLU178A, GLU178B, GLU42B, GLU62A, GLU62B, GLU66A, GLU66B, GLY180A, GLY180B, GLY184A, GLY184B, GLY64A, GLY64B, HIS181A, HIS181B, HIS46A, HIS46B, ILE185A, ILE185B, ILE57A, ILE57B, LEU154A, LEU154B, LEU157A, LEU157B, LEU162A, LEU162B, LEU175A, LEU175B, LEU63A, LEU63B, LYS144A, LYS144B, LYS158A, LYS158B, LYS163A, LYS163B, LYS182A, LYS182B, LYS65A, LYS65B, MET155A, MET155B, MET45A, MET45B, PHE59A, PHE59B, PRO148A, PRO148B, PRO150A, PRO150B, PRO152A, PRO152B, SER53A, SER53B, TYR145A, TYR145B, TYR153A, TYR153B, VAL58A, VAL58B