2FGK

crystal structure of the abc-cassette e631q mutant of hlyb with bound atp

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 157
  • Norm. En. per Res.: -3.4695
• 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	-49.1277	-89.9674	-408.643	-547.7382	160	27	4	15278	5	58	52
A-C	-5.0618	20.1013	-165.426	-150.3865	67	16	0	6826	1	14	14
C-D	-55.4305	-94.4279	-394.859	-544.7175	157	32	4	14858	5	60	52

Interface residues

• A-B: ALA584B, ALA604A, ALA604B, ALA635A, ALA635B, ALA661A, ALA661B, ARG476A, ARG476B, ARG503A, ARG503B, ARG592A, ARG592B, ARG611A, ARG611B, ARG613A, ARG613B, ARG646A, ARG646B, ARG663A, ARG663B, ASN552A, ASN552B, ASN669A, ASN669B, ASP480A, ASP480B, ASP551A, ASP551B, ASP637A, ASP637B, ASP707A, ASP707B, GLN550A, GLN550B, GLN602A, GLN602B, GLN610A, GLN610B, GLN612A, GLN612B, GLN631A, GLN631B, GLN703A, GLN703B, GLN705A, GLN705B, GLU590A, GLU590B, GLU639A, GLU639B, GLU641A, GLU641B, GLY502A, GLY502B, GLY505A, GLY505B, GLY507A, GLY507B, GLY583A, GLY583B, GLY600B, GLY603A, GLY605A, GLY605B, GLY608A, GLY608B, GLY609A, GLY609B, HIS642A, HIS642B, HIS662A, HIS662B, HIS687A, HIS687B, ILE484A, ILE484B, ILE598A, ILE598B, LEU549A, LEU549B, LEU591A, LEU591B, LEU606A, LEU606B, LEU636A, LEU636B, LEU664A, LEU664B, LEU691A, LEU697A, LEU697B, LEU701A, LEU701B, LEU704A, LEU704B, LYS478A, LYS478B, LYS508A, LYS508B, LYS513A, LYS513B, LYS668A, LYS668B, LYS678A, LYS678B, LYS688B, MET645B, PHE587A, PHE587B, PRO479A, PRO479B, PRO482A, PRO482B, SER481A, SER481B, SER504A, SER504B, SER506A, SER506B, SER509A, SER509B, SER607A, SER607B, SER634A, SER634B, SER640A, SER640B, SER665A, SER665B, SER699A, SER706A, SER706B, THR510A, THR510B, THR633A, THR633B, THR666A, THR666B, TYR477A, TYR477B, TYR519A, TYR519B, TYR638A, TYR638B, TYR698A, TYR698B, TYR700A, TYR700B, TYR702A, TYR702B, VAL483A, VAL483B, VAL501A, VAL501B, VAL553A, VAL553B, VAL643A, VAL643B, VAL667B
• A-C: ALA566A, ALA566C, ARG542A, ARG542C, ARG543A, ARG543C, ARG557A, ARG557C, ARG618A, ARG618C, ASN539A, ASN539C, ASN556A, ASN556C, ASN562A, ASN562C, ASN567A, ASN567C, ASN596A, ASN596C, ASN622A, ASN622C, ASP537A, ASP537C, ASP561A, ASP561C, GLU593A, GLU593C, GLY569A, GLY569C, GLY600A, GLY600C, ILE559A, ILE560A, ILE560C, ILE563A, ILE563C, ILE598A, ILE598C, LEU555A, LEU555C, LEU565A, LEU565C, MET570A, MET570C, PRO538A, PRO538C, PRO568A, PRO568C, SER558A, SER558C, SER564A, SER564C, SER571A, SER571C, THR597A, THR597C, TRP540A, TRP540C, TYR595A, TYR595C, VAL572A, VAL572C, VAL575A, VAL575C, VAL599A, VAL599C
• C-D: ALA584D, ALA604C, ALA604D, ALA635C, ALA635D, ALA661C, ALA661D, ARG476C, ARG476D, ARG503C, ARG503D, ARG592C, ARG592D, ARG611C, ARG611D, ARG613C, ARG613D, ARG646C, ARG646D, ARG663C, ARG663D, ASN669C, ASN669D, ASP480C, ASP480D, ASP551C, ASP551D, ASP637C, ASP637D, ASP707C, ASP707D, GLN550C, GLN550D, GLN602C, GLN602D, GLN610C, GLN610D, GLN612C, GLN612D, GLN631C, GLN631D, GLN703C, GLN703D, GLN705C, GLN705D, GLU590C, GLU590D, GLU639C, GLU639D, GLU641C, GLU641D, GLY502C, GLY502D, GLY505C, GLY505D, GLY507C, GLY507D, GLY583C, GLY583D, GLY600D, GLY605C, GLY605D, GLY608C, GLY608D, GLY609C, GLY609D, HIS642C, HIS642D, HIS662C, HIS662D, HIS687C, HIS687D, ILE484C, ILE484D, ILE598C, ILE598D, LEU549C, LEU549D, LEU591C, LEU591D, LEU606C, LEU606D, LEU636C, LEU636D, LEU664C, LEU664D, LEU691C, LEU697C, LEU697D, LEU701C, LEU701D, LEU704C, LEU704D, LYS478C, LYS478D, LYS508C, LYS508D, LYS513C, LYS513D, LYS668C, LYS668D, LYS678C, LYS678D, LYS688D, MET645D, PHE587C, PHE587D, PRO479C, PRO479D, PRO482C, PRO482D, SER481C, SER481D, SER504C, SER504D, SER506C, SER506D, SER509C, SER509D, SER607C, SER607D, SER634C, SER634D, SER640C, SER640D, SER665C, SER665D, SER699C, SER706C, SER706D, THR510C, THR510D, THR633C, THR633D, THR666C, THR666D, TYR477C, TYR477D, TYR519C, TYR519D, TYR638C, TYR638D, TYR698C, TYR698D, TYR700C, TYR700D, TYR702C, TYR702D, VAL483C, VAL483D, VAL501C, VAL501D, VAL553C, VAL553D, VAL643C, VAL643D, VAL667D