2YA7

crystal structure of streptococcus pneumoniae nana (tigr4) in complex with zanamivir

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 126
  • Norm. En. per Res.: -2.7819
• 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	-78.17	-5.643	-266.709	-350.522	126	7	1	11677	5	80	83
A-D	-14.6478	-37.7037	-20.2297	-72.5812	31	2	0	1087	2	9	22
B-C	0.0	2.6007	-7.8826	-5.2819	38	0	0	1098	0	26	24
B-D	-3.1761	-3.4735	-46.9556	-53.6052	33	2	0	1868	2	30	32
C-D	-53.101	-10.2852	-265.699	-329.0852	123	13	1	11388	3	79	84

Interface residues

• A-B: ALA437B, ALA457A, ALA457B, ALA545A, ALA545B, ALA606A, ALA606B, ALA657A, ALA657B, ARG451A, ARG451B, ARG514A, ARG514B, ARG590A, ARG590B, ARG611A, ARG611B, ASN578A, ASN578B, ASN579A, ASN579B, ASN608A, ASN608B, ASN610A, ASN610B, ASN624A, ASN624B, ASN625A, ASN625B, ASP470A, ASP470B, ASP546A, ASP546B, ASP609A, ASP609B, ASP661A, ASP661B, ASP669A, ASP669B, GLN433A, GLN433B, GLN612A, GLN612B, GLN616A, GLN616B, GLU435A, GLU435B, GLU436A, GLU436B, GLU452A, GLU452B, GLU454A, GLU454B, GLU605A, GLU605B, GLU667A, GLU667B, GLY453A, GLY453B, GLY456A, GLY456B, HIS582A, HIS582B, HIS619A, HIS619B, ILE448A, ILE448B, ILE618A, ILE618B, ILE670A, ILE670B, LEU449A, LYS434A, LYS434B, LYS439A, LYS439B, LYS440A, LYS440B, LYS455A, LYS455B, LYS549A, LYS549B, LYS617A, LYS617B, LYS660A, LYS660B, LYS668A, LYS668B, MET548A, MET548B, MET623A, MET623B, PRO469A, PRO469B, SER431A, SER431B, SER432A, SER432B, SER581A, SER581B, SER620A, SER620B, SER621A, SER621B, SER659A, SER659B, THR622A, THR622B, THR658A, THR658B, THR665A, THR665B, TRP547A, TRP547B, TRP666A, TRP666B, TYR450A, TYR450B, VAL580A, VAL580B, VAL607A, VAL607B, VAL613A, VAL613B, VAL664A, VAL664B
• A-D: ALA473A, ARG461A, ARG715D, ASN463A, ASP442A, ASP470A, GLN675D, GLU462A, GLU691D, GLU694D, GLU717D, GLY443A, GLY471A, GLY692D, HIS690D, ILE441A, LEU725D, LYS440A, LYS444A, LYS472A, LYS693D, LYS726D, LYS776D, SER775D, THR465A, THR723D, TRP724D, TRP771D, TYR467A, TYR695D, VAL716D
• B-C: ALA473C, ARG451C, ASN371B, ASN745B, ASP340B, ASP370B, ASP470C, ASP475C, ASP497C, ASP527B, ASP528B, GLN407B, GLN498C, GLU369B, GLU410B, GLU452C, GLY342B, GLY744B, LEU500C, LEU743B, LYS338B, LYS341B, LYS373B, LYS389C, LYS412B, LYS472C, LYS495C, LYS509C, PRO469C, PRO512C, THR339B, THR343B, THR411B, THR468C, THR474C, THR510C, TYR458C, TYR476C
• B-D: ARG562B, ARG569B, ASN563B, ASN640D, ASN719D, ASP595B, ASP596B, ASP642D, ASP669D, GLU410B, GLU667D, GLU717D, GLU718D, GLU721D, GLY564B, GLY568B, GLY720D, HIS566B, HIS597B, HIS602B, LEU561B, LEU722D, LYS567B, LYS599B, LYS660D, LYS668D, LYS671D, PRO565B, SER594B, THR600B, THR723D, TYR593B, TYR673D
• C-D: ALA457C, ALA457D, ALA545C, ALA545D, ALA606C, ALA606D, ALA657C, ALA657D, ARG451C, ARG451D, ARG514C, ARG514D, ARG590C, ARG590D, ARG611C, ARG611D, ASN578C, ASN578D, ASN579C, ASN579D, ASN608C, ASN608D, ASN610C, ASN610D, ASN624C, ASN624D, ASN625C, ASN625D, ASP470C, ASP470D, ASP546C, ASP546D, ASP609C, ASP609D, ASP661C, ASP661D, ASP669C, ASP669D, GLN433C, GLN433D, GLN612C, GLN612D, GLN616C, GLN616D, GLU435C, GLU435D, GLU436C, GLU436D, GLU452C, GLU452D, GLU454C, GLU454D, GLU605C, GLU605D, GLU667C, GLU667D, GLY453C, GLY453D, GLY456C, GLY456D, HIS566D, HIS582C, HIS582D, HIS619C, HIS619D, ILE448C, ILE448D, ILE618C, ILE618D, ILE670C, ILE670D, LEU449C, LEU449D, LYS434C, LYS434D, LYS439C, LYS439D, LYS455C, LYS455D, LYS549C, LYS549D, LYS617C, LYS617D, LYS660C, LYS660D, LYS668C, LYS668D, MET548C, MET548D, MET623C, MET623D, PRO469C, PRO469D, SER431C, SER431D, SER432C, SER432D, SER581C, SER581D, SER620C, SER620D, SER621C, SER621D, THR622C, THR622D, THR658C, THR658D, THR665C, THR665D, TRP547C, TRP547D, TRP666C, TRP666D, TYR450C, TYR450D, VAL580C, VAL580D, VAL607C, VAL607D, VAL613C, VAL613D, VAL664C, VAL664D