3GVK

crystal structure of endo-neuraminidase nf mutant

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 496
  • Norm. En. per Res.: -6.9814
• 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	-846.8055	-302.9038	-2300.35	-3450.0594	497	97	58	79285	21	126	113
A-C	-847.1603	-250.5893	-2264.04	-3361.7896	496	89	56	78277	21	127	108
B-C	-854.5949	-309.0017	-2299.18	-3462.7766	496	94	56	79698	22	128	106

Interface residues

• A-B: ALA307A, ALA663A, ALA734A, ALA768A, ALA768B, ALA773A, ALA773B, ALA788A, ALA788B, ALA805A, ALA805B, ALA834A, ALA852A, ALA852B, ALA859B, ALA879A, ALA879B, ALA890A, ALA890B, ALA901A, ALA901B, ARG288A, ARG293A, ARG354A, ARG421A, ARG425B, ARG660A, ARG667A, ARG672B, ARG759B, ARG762A, ARG762B, ARG765A, ARG765B, ARG772A, ARG772B, ARG784A, ARG784B, ARG804A, ARG804B, ARG812A, ARG812B, ARG837A, ARG837B, ARG865A, ARG865B, ARG866A, ARG866B, ARG897A, ARG897B, ASN272A, ASN272B, ASN274B, ASN291B, ASN326A, ASN338B, ASN458B, ASN461B, ASN500B, ASN650A, ASN687A, ASN712B, ASN725A, ASN732A, ASN758B, ASN771A, ASN771B, ASN781A, ASN781B, ASN810A, ASN810B, ASN832A, ASN832B, ASN860B, ASN861A, ASN861B, ASN870A, ASN870B, ASN885A, ASN885B, ASN887A, ASN887B, ASN896A, ASN896B, ASN906A, ASN906B, ASP285A, ASP321A, ASP321B, ASP364A, ASP364B, ASP365B, ASP377A, ASP470B, ASP690A, ASP711B, ASP722A, ASP731A, ASP736A, ASP736B, ASP741A, ASP741B, ASP746A, ASP757B, ASP763A, ASP763B, ASP779B, ASP795A, ASP795B, ASP831A, ASP831B, ASP863B, ASP872A, ASP872B, ASP880A, ASP880B, ASP886A, ASP886B, CYS749A, CYS841A, CYS841B, GLN269A, GLN313B, GLN367A, GLN367B, GLN691A, GLN694A, GLN836A, GLN836B, GLN853A, GLN853B, GLN877A, GLN877B, GLU309A, GLU310A, GLU310B, GLU315A, GLU337B, GLU373A, GLU373B, GLU649A, GLU721A, GLU791A, GLU791B, GLU814A, GLU814B, GLU818A, GLU818B, GLU820A, GLU820B, GLU844A, GLU844B, GLU873A, GLU873B, GLY268A, GLY273B, GLY275B, GLY314B, GLY346A, GLY363B, GLY366A, GLY366B, GLY469B, GLY504B, GLY695A, GLY696A, GLY730A, GLY742A, GLY742B, GLY755B, GLY767A, GLY767B, GLY782A, GLY782B, GLY794A, GLY794B, GLY797A, GLY797B, GLY799A, GLY799B, GLY819A, GLY819B, GLY822A, GLY822B, GLY825A, GLY825B, GLY835A, GLY835B, GLY842A, GLY842B, GLY843A, GLY843B, GLY845A, GLY845B, GLY851A, GLY858A, GLY858B, GLY871A, GLY871B, GLY892A, GLY892B, GLY893A, GLY893B, GLY904A, GLY904B, HIS356A, HIS428B, HIS502B, HIS508A, HIS508B, HIS723A, HIS743A, HIS800A, HIS800B, HIS874A, HIS874B, ILE271A, ILE286A, ILE290A, ILE290B, ILE319A, ILE340B, ILE641B, ILE688A, ILE692A, ILE697A, ILE714B, ILE754B, ILE803A, ILE803B, ILE811A, ILE811B, ILE824A, ILE824B, ILE828A, ILE828B, ILE838A, ILE838B, ILE839A, ILE839B, ILE854A, ILE854B, ILE867A, ILE867B, ILE908A, ILE908B, LEU283A, LEU316A, LEU375A, LEU378A, LEU427B, LEU429B, LEU747A, LEU796A, LEU796B, LEU798A, LEU798B, LEU816A, LEU816B, LEU856A, LEU856B, LEU875A, LEU875B, LEU891A, LEU891B, LEU903A, LEU903B, LYS270A, LYS270B, LYS276B, LYS318A, LYS361A, LYS361B, LYS509B, LYS662A, LYS710B, LYS739A, LYS739B, LYS751A, LYS751B, LYS753B, LYS826A, LYS826B, LYS882A, LYS882B, MET423B, MET471B, MET503B, MET752B, MET790A, MET790B, MET817A, MET817B, PHE289A, PHE294A, PHE311B, PHE317A, PHE456B, PHE459B, PHE507A, PHE507B, PHE669A, PHE718A, PHE724A, PHE738A, PHE738B, PHE764A, PHE764B, PHE777A, PHE777B, PHE778A, PHE778B, PHE792A, PHE792B, PHE823A, PHE823B, PHE840A, PHE840B, PHE876A, PHE876B, PHE898A, PHE898B, PRO284A, PRO323A, PRO323B, PRO372A, PRO666A, PRO726A, PRO737A, PRO737B, PRO744A, PRO756B, PRO770A, PRO770B, PRO775A, PRO775B, PRO787A, PRO787B, PRO789A, PRO789B, PRO829A, PRO829B, PRO833A, PRO883A, PRO883B, PRO894A, PRO894B, PRO907A, PRO907B, SER282A, SER287A, SER308A, SER358A, SER362A, SER362B, SER370A, SER370B, SER424B, SER426B, SER460B, SER506B, SER510B, SER664A, SER733A, SER740A, SER740B, SER745A, SER761B, SER806A, SER806B, SER808A, SER808B, SER809A, SER813A, SER813B, SER827A, SER827B, SER847A, SER847B, SER848A, SER848B, SER864B, SER878A, SER878B, SER895A, SER895B, SER905A, SER905B, THR292A, THR320A, THR322A, THR322B, THR368A, THR368B, THR371A, THR371B, THR376A, THR505B, THR668A, THR689A, THR728A, THR780B, THR785A, THR785B, THR793A, THR793B, THR802A, THR802B, THR807A, THR807B, THR830A, THR830B, THR846A, THR846B, THR849A, THR850A, THR855A, THR855B, THR862B, THR889A, THR889B, THR899A, THR899B, THR900A, THR900B, THR910A, THR910B, TRP359A, TRP369A, TRP369B, TRP374A, TRP419A, TRP501B, TRP512A, TRP727A, TYR296A, TYR305A, TYR306A, TYR324A, TYR324B, TYR325A, TYR336B, TYR341B, TYR344A, TYR387A, TYR661A, TYR665A, TYR693A, TYR713B, TYR729A, TYR748A, TYR750A, TYR766A, TYR766B, TYR821A, TYR821B, TYR857A, TYR857B, TYR869A, TYR869B, TYR884A, TYR884B, TYR902A, TYR902B, VAL267A, VAL312B, VAL339B, VAL357A, VAL360A, VAL360B, VAL457B, VAL636B, VAL686A, VAL698A, VAL760B, VAL769A, VAL769B, VAL774A, VAL774B, VAL776A, VAL776B, VAL783A, VAL783B, VAL786A, VAL786B, VAL801A, VAL801B, VAL815A, VAL815B, VAL868A, VAL868B, VAL881A, VAL881B, VAL888A, VAL888B, VAL909A, VAL909B
• A-C: ALA307C, ALA663C, ALA734C, ALA768A, ALA768C, ALA773A, ALA773C, ALA788A, ALA788C, ALA805A, ALA805C, ALA834C, ALA852A, ALA852C, ALA859A, ALA879A, ALA879C, ALA890A, ALA890C, ALA901A, ALA901C, ARG288C, ARG293C, ARG354C, ARG421C, ARG425A, ARG660C, ARG667C, ARG672A, ARG759A, ARG762A, ARG762C, ARG765A, ARG765C, ARG772A, ARG772C, ARG784A, ARG784C, ARG804A, ARG804C, ARG812A, ARG812C, ARG837A, ARG837C, ARG865A, ARG865C, ARG866A, ARG866C, ARG897A, ARG897C, ASN272A, ASN274A, ASN291A, ASN326C, ASN338A, ASN458A, ASN461A, ASN500A, ASN650C, ASN687C, ASN712A, ASN725C, ASN732C, ASN758A, ASN771A, ASN771C, ASN781A, ASN781C, ASN810A, ASN832A, ASN832C, ASN860A, ASN861A, ASN861C, ASN870A, ASN870C, ASN885A, ASN885C, ASN887A, ASN887C, ASN896A, ASN896C, ASN906A, ASN906C, ASP285C, ASP321A, ASP321C, ASP364A, ASP365A, ASP377C, ASP470A, ASP690C, ASP711A, ASP722C, ASP731C, ASP736A, ASP736C, ASP741A, ASP741C, ASP746C, ASP757A, ASP763A, ASP763C, ASP779A, ASP795A, ASP795C, ASP831A, ASP831C, ASP863A, ASP863C, ASP872A, ASP872C, ASP880A, ASP880C, ASP886A, ASP886C, CYS749C, CYS841A, CYS841C, GLN269C, GLN313A, GLN367A, GLN367C, GLN691C, GLN694C, GLN836A, GLN836C, GLN853A, GLN853C, GLN877A, GLN877C, GLU309C, GLU310A, GLU310C, GLU315C, GLU337A, GLU373A, GLU373C, GLU649C, GLU721C, GLU791A, GLU791C, GLU814A, GLU814C, GLU818A, GLU818C, GLU820A, GLU820C, GLU844A, GLU844C, GLU873A, GLU873C, GLY268C, GLY273A, GLY275A, GLY346C, GLY363A, GLY366A, GLY366C, GLY469A, GLY504A, GLY695C, GLY696C, GLY730C, GLY742A, GLY742C, GLY755A, GLY767A, GLY782A, GLY782C, GLY794A, GLY794C, GLY797A, GLY797C, GLY799A, GLY799C, GLY819A, GLY819C, GLY822A, GLY822C, GLY825A, GLY825C, GLY835A, GLY835C, GLY842A, GLY842C, GLY843A, GLY843C, GLY845A, GLY845C, GLY851C, GLY858A, GLY858C, GLY871A, GLY871C, GLY892A, GLY892C, GLY893A, GLY893C, GLY904A, GLY904C, HIS356C, HIS428A, HIS502A, HIS508A, HIS508C, HIS723C, HIS743C, HIS800A, HIS800C, HIS874A, HIS874C, ILE271C, ILE286C, ILE290A, ILE290C, ILE319C, ILE340A, ILE688C, ILE692C, ILE697C, ILE803A, ILE803C, ILE811A, ILE811C, ILE824A, ILE824C, ILE828A, ILE828C, ILE838A, ILE838C, ILE839A, ILE839C, ILE854A, ILE854C, ILE867A, ILE867C, ILE908A, ILE908C, LEU262C, LEU283C, LEU316A, LEU316C, LEU375C, LEU378C, LEU427A, LEU747C, LEU796A, LEU796C, LEU798A, LEU798C, LEU816A, LEU816C, LEU856A, LEU856C, LEU875A, LEU875C, LEU891A, LEU891C, LEU903A, LEU903C, LYS270C, LYS276A, LYS318A, LYS318C, LYS361A, LYS361C, LYS509A, LYS509C, LYS662C, LYS710A, LYS739A, LYS739C, LYS751A, LYS751C, LYS753A, LYS826A, LYS826C, LYS882A, LYS882C, MET423A, MET471A, MET503A, MET790A, MET790C, MET817A, MET817C, PHE289C, PHE294C, PHE311A, PHE317A, PHE317C, PHE456A, PHE459A, PHE507A, PHE507C, PHE669C, PHE718C, PHE724C, PHE738A, PHE738C, PHE764A, PHE764C, PHE777A, PHE777C, PHE778A, PHE778C, PHE792A, PHE792C, PHE823A, PHE823C, PHE840A, PHE840C, PHE876A, PHE876C, PHE898A, PHE898C, PRO266C, PRO284C, PRO323A, PRO323C, PRO372C, PRO666C, PRO726C, PRO737A, PRO737C, PRO744C, PRO756A, PRO770A, PRO770C, PRO775A, PRO775C, PRO787A, PRO787C, PRO789A, PRO789C, PRO829A, PRO829C, PRO833C, PRO883A, PRO883C, PRO894A, PRO894C, PRO907A, PRO907C, SER282C, SER287C, SER308C, SER358C, SER362A, SER362C, SER370A, SER370C, SER424A, SER426A, SER460A, SER506A, SER510A, SER664C, SER733C, SER740A, SER740C, SER745C, SER761A, SER806A, SER806C, SER808A, SER808C, SER813A, SER813C, SER827A, SER827C, SER847A, SER847C, SER848A, SER848C, SER864A, SER878A, SER878C, SER895A, SER895C, SER905A, SER905C, THR265C, THR292C, THR320C, THR322A, THR322C, THR368A, THR368C, THR371A, THR371C, THR376C, THR505A, THR668C, THR689C, THR728C, THR780A, THR785A, THR785C, THR793A, THR793C, THR802A, THR802C, THR807A, THR807C, THR830A, THR830C, THR846A, THR846C, THR849C, THR850A, THR850C, THR855A, THR855C, THR862A, THR889A, THR889C, THR899A, THR899C, THR900A, THR900C, THR910A, THR910C, TRP359C, TRP369A, TRP369C, TRP374C, TRP419C, TRP501A, TRP512C, TRP727C, TYR296C, TYR305C, TYR306C, TYR324A, TYR324C, TYR325C, TYR336A, TYR341A, TYR344C, TYR387C, TYR661C, TYR665C, TYR670A, TYR693C, TYR713A, TYR715A, TYR729C, TYR748A, TYR748C, TYR750C, TYR766A, TYR766C, TYR821A, TYR821C, TYR857A, TYR857C, TYR869A, TYR869C, TYR884A, TYR884C, TYR902A, TYR902C, VAL267C, VAL312A, VAL339A, VAL357C, VAL360A, VAL360C, VAL457A, VAL686C, VAL698C, VAL760A, VAL769A, VAL769C, VAL774A, VAL774C, VAL776A, VAL776C, VAL783A, VAL783C, VAL786A, VAL786C, VAL801A, VAL801C, VAL815A, VAL815C, VAL868A, VAL868C, VAL881A, VAL881C, VAL888A, VAL888C, VAL909A, VAL909C
• B-C: ALA307B, ALA663B, ALA734B, ALA768B, ALA768C, ALA773B, ALA773C, ALA788B, ALA788C, ALA805B, ALA805C, ALA834B, ALA852B, ALA852C, ALA859C, ALA879B, ALA879C, ALA890B, ALA890C, ALA901B, ALA901C, ARG288B, ARG293B, ARG354B, ARG421B, ARG425C, ARG660B, ARG667B, ARG672C, ARG759C, ARG762B, ARG762C, ARG765B, ARG765C, ARG772B, ARG772C, ARG784B, ARG784C, ARG804B, ARG804C, ARG812B, ARG812C, ARG837B, ARG837C, ARG865B, ARG865C, ARG866B, ARG866C, ARG897B, ARG897C, ASN272C, ASN274C, ASN291C, ASN326B, ASN338C, ASN458C, ASN461C, ASN500C, ASN650B, ASN687B, ASN712C, ASN725B, ASN732B, ASN758C, ASN771B, ASN771C, ASN781B, ASN781C, ASN810B, ASN810C, ASN832B, ASN832C, ASN860C, ASN861B, ASN861C, ASN870B, ASN870C, ASN885B, ASN885C, ASN887B, ASN887C, ASN896B, ASN896C, ASN906B, ASN906C, ASP285B, ASP321B, ASP321C, ASP364B, ASP364C, ASP365C, ASP377B, ASP470C, ASP690B, ASP711C, ASP722B, ASP731B, ASP736B, ASP736C, ASP741B, ASP741C, ASP746B, ASP757C, ASP763B, ASP763C, ASP779C, ASP795B, ASP795C, ASP831B, ASP831C, ASP863C, ASP872B, ASP872C, ASP880B, ASP880C, ASP886B, ASP886C, CYS749B, CYS841B, CYS841C, GLN269B, GLN313C, GLN367B, GLN367C, GLN691B, GLN694B, GLN836B, GLN836C, GLN853B, GLN853C, GLN877B, GLN877C, GLU309B, GLU309C, GLU310B, GLU310C, GLU315B, GLU337C, GLU373B, GLU373C, GLU649B, GLU721B, GLU791B, GLU791C, GLU814B, GLU814C, GLU818B, GLU818C, GLU820B, GLU820C, GLU844B, GLU844C, GLU873B, GLU873C, GLY268B, GLY273C, GLY275C, GLY314C, GLY346B, GLY363C, GLY366B, GLY366C, GLY469C, GLY504C, GLY695B, GLY696B, GLY730B, GLY742B, GLY742C, GLY755C, GLY767B, GLY767C, GLY782B, GLY782C, GLY794B, GLY794C, GLY797B, GLY797C, GLY799B, GLY799C, GLY819B, GLY819C, GLY822B, GLY822C, GLY825B, GLY825C, GLY835B, GLY835C, GLY842B, GLY842C, GLY843B, GLY843C, GLY845B, GLY845C, GLY851B, GLY858B, GLY858C, GLY871B, GLY871C, GLY892B, GLY892C, GLY893B, GLY893C, GLY904B, GLY904C, HIS356B, HIS428C, HIS502C, HIS508B, HIS508C, HIS723B, HIS743B, HIS800B, HIS800C, HIS874B, HIS874C, ILE271B, ILE286B, ILE290B, ILE290C, ILE319B, ILE340C, ILE688B, ILE692B, ILE697B, ILE754C, ILE803B, ILE803C, ILE811B, ILE811C, ILE824B, ILE824C, ILE828B, ILE828C, ILE838B, ILE838C, ILE839B, ILE839C, ILE854B, ILE854C, ILE867B, ILE867C, ILE908B, ILE908C, LEU262B, LEU283B, LEU316B, LEU316C, LEU375B, LEU378B, LEU427C, LEU747B, LEU796B, LEU796C, LEU798B, LEU798C, LEU816B, LEU816C, LEU856B, LEU856C, LEU875B, LEU875C, LEU891B, LEU891C, LEU903B, LEU903C, LYS270B, LYS276C, LYS318B, LYS318C, LYS361B, LYS361C, LYS509B, LYS509C, LYS662B, LYS710C, LYS739B, LYS739C, LYS751B, LYS753C, LYS826B, LYS826C, LYS882B, LYS882C, MET423C, MET471C, MET503C, MET790B, MET790C, MET817B, MET817C, PHE289B, PHE294B, PHE311C, PHE317B, PHE317C, PHE456C, PHE459C, PHE507B, PHE507C, PHE669B, PHE718B, PHE724B, PHE738B, PHE738C, PHE764B, PHE764C, PHE777B, PHE777C, PHE778B, PHE778C, PHE792B, PHE792C, PHE823B, PHE823C, PHE840B, PHE840C, PHE876B, PHE876C, PHE898B, PHE898C, PRO266B, PRO284B, PRO323B, PRO323C, PRO372B, PRO666B, PRO726B, PRO737B, PRO737C, PRO744B, PRO756C, PRO770B, PRO770C, PRO775B, PRO775C, PRO787B, PRO787C, PRO789B, PRO789C, PRO829B, PRO829C, PRO833B, PRO883B, PRO883C, PRO894B, PRO894C, PRO907B, PRO907C, SER282B, SER287B, SER308B, SER358B, SER362B, SER362C, SER370B, SER370C, SER424C, SER426C, SER460C, SER506C, SER510C, SER664B, SER733B, SER740B, SER740C, SER745B, SER761C, SER806B, SER806C, SER808B, SER808C, SER813B, SER813C, SER827B, SER827C, SER847B, SER847C, SER848B, SER848C, SER864C, SER878B, SER878C, SER895B, SER895C, SER905B, SER905C, THR265B, THR292C, THR320B, THR322B, THR322C, THR368B, THR368C, THR371B, THR371C, THR376B, THR505C, THR668B, THR689B, THR728B, THR780C, THR785B, THR785C, THR793B, THR793C, THR802B, THR802C, THR807B, THR807C, THR830B, THR830C, THR846B, THR846C, THR849B, THR850B, THR855B, THR855C, THR889B, THR889C, THR899B, THR899C, THR900B, THR900C, THR910B, THR910C, TRP359B, TRP369B, TRP369C, TRP374B, TRP419B, TRP501C, TRP512B, TRP727B, TYR296B, TYR305B, TYR306B, TYR324B, TYR324C, TYR325B, TYR336C, TYR341C, TYR344B, TYR387B, TYR661B, TYR665B, TYR713C, TYR729B, TYR748B, TYR748C, TYR750B, TYR766B, TYR766C, TYR821B, TYR821C, TYR857B, TYR857C, TYR869B, TYR869C, TYR884B, TYR884C, TYR902B, TYR902C, VAL267B, VAL312B, VAL312C, VAL339C, VAL357B, VAL360B, VAL360C, VAL457C, VAL686B, VAL698B, VAL760C, VAL769B, VAL769C, VAL774B, VAL774C, VAL776B, VAL776C, VAL783B, VAL783C, VAL786B, VAL786C, VAL801B, VAL801C, VAL815B, VAL815C, VAL868B, VAL868C, VAL881B, VAL881C, VAL888B, VAL888C, VAL909B, VAL909C