3D63

crystal structure of inorganic pyrophosphatase from burkholderia pseudomallei

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 46
  • Norm. En. per Res.: -1.711
• 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	-15.3877	-28.2112	-35.1055	-78.7044	46	3	0	1652	6	23	29
A-C	-29.534	28.2217	-32.2572	-33.5695	30	3	0	1333	1	28	22
B-C	-16.2907	-12.575	-50.0713	-78.937	47	1	0	2087	2	42	46

Interface residues

• A-B: ALA104B, ALA161B, ALA162B, ALA171A, ALA171B, ASN172A, ASN172B, ASP103B, ASP157A, ASP157B, ASP160B, ASP168A, ASP168B, ASP66A, ASP66B, ASP68A, GLU154B, GLU165A, GLU165B, GLY101A, GLY101B, GLY158B, GLY169A, GLY65A, GLY65B, GLY67A, GLY67B, LEU63A, LEU63B, LYS164A, LYS164B, LYS174A, LYS175A, LYS175B, LYS95A, LYS95B, MET93B, SER100A, SER100B, SER64A, THR167A, THR167B, THR97B, TRP156B, VAL102A, VAL102B
• A-C: ALA171A, ALA171C, ASP11A, ASP11C, ASP15A, ASP15C, ASP160A, ASP160C, ASP168A, ASP168C, GLN14A, GLN14C, HIS163A, HIS163C, ILE159C, LEU12A, LEU12C, LYS10A, LYS10C, LYS164A, LYS164C, LYS174A, LYS174C, LYS175A, PRO13A, PRO13C, THR167A, THR167C, VAL170A, VAL170C
• B-C: ALA-19C, ALA104C, ALA161B, ALA161C, ALA171B, ALA171C, ASN172C, ASP11B, ASP157C, ASP15B, ASP160B, ASP168B, ASP168C, ASP66C, GLN14B, GLU154C, GLU165B, GLU165C, GLY101C, GLY65C, GLY9B, HIS-14C, HIS-15C, HIS-16C, HIS-17C, HIS-18C, HIS163B, ILE159B, LEU12B, LYS10B, LYS122B, LYS152C, LYS164B, LYS164C, LYS174B, LYS175C, LYS95C, MET93C, PRO13B, SER100C, SER64C, THR167B, THR167C, THR97C, TRP150C, VAL102C, VAL170B