3H73

crystal structure of streptococcus pneumoniae d39 neuraminidase a precursor (nana) in complex with dana

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 137
  • Norm. En. per Res.: -3.2271
• 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	-117.2517	-12.75	-312.111	-442.1128	137	18	1	13172	4	87	87

Interface residues

• A-B: ALA452A, ALA452B, ALA472A, ALA472B, ALA560A, ALA560B, ALA621A, ALA621B, ALA672A, ALA672B, ARG466A, ARG466B, ARG529A, ARG529B, ARG605A, ARG605B, ARG626A, ARG626B, ASN593A, ASN593B, ASN594A, ASN594B, ASN623A, ASN623B, ASN625A, ASN625B, ASN639A, ASN639B, ASN640A, ASN640B, ASP485A, ASP485B, ASP561A, ASP561B, ASP624A, ASP624B, ASP676A, ASP676B, ASP684A, ASP684B, GLN448A, GLN448B, GLN627A, GLN627B, GLN631A, GLN631B, GLU450A, GLU450B, GLU451A, GLU451B, GLU467A, GLU467B, GLU469A, GLU469B, GLU620A, GLU620B, GLU682A, GLU682B, GLY468A, GLY468B, GLY471A, GLY471B, GLY619B, HIS597A, HIS597B, HIS617B, HIS634A, HIS634B, ILE456A, ILE456B, ILE463A, ILE463B, ILE633A, ILE633B, ILE685A, ILE685B, LEU464A, LEU464B, LYS449A, LYS449B, LYS454A, LYS454B, LYS455A, LYS455B, LYS470A, LYS470B, LYS532A, LYS532B, LYS559B, LYS564A, LYS564B, LYS632A, LYS632B, LYS675A, LYS675B, LYS683A, LYS683B, MET563A, MET563B, MET638A, MET638B, PRO484A, PRO484B, SER446A, SER446B, SER447A, SER447B, SER596A, SER596B, SER635A, SER635B, SER636A, SER636B, SER674B, THR637A, THR637B, THR673A, THR673B, THR680A, THR680B, TRP562A, TRP562B, TRP681A, TRP681B, TYR453A, TYR465A, TYR465B, TYR473A, TYR473B, VAL595A, VAL595B, VAL622A, VAL622B, VAL628A, VAL628B, VAL679A, VAL679B