3MYP

crystal structure of tagatose-1,6-bisphosphate aldolase from staphylococcus aureus

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 96
  • Norm. En. per Res.: -4.5179
• Hub Node: B(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-C	-55.1381	-46.8603	-331.72	-433.7183	96	12	5	12134	12	52	52
B-C	0.0	22.1233	-66.0132	-43.8899	82	2	0	3704	0	31	28
B-D	-59.823	-52.7952	-305.942	-418.5603	97	18	5	12059	8	53	53

Interface residues

• A-C: ALA113A, ALA113C, ALA144A, ALA144C, ALA155A, ALA155C, ARG115A, ARG115C, ARG148A, ARG148C, ARG198A, ARG198C, ASN139A, ASN139C, ASN200A, ASN200C, ASP106A, ASP106C, ASP157A, ASP157C, CYS107A, CYS107C, CYS153A, CYS153C, GLN141A, GLN141C, GLU110A, GLU110C, GLU118A, GLU118C, GLU136A, GLU136C, GLU137A, GLU137C, GLU147A, GLU147C, GLU152A, GLU152C, GLU156A, GLU156C, GLU196A, GLU92A, GLU92C, GLY150A, GLY150C, ILE138A, ILE138C, ILE140A, ILE140C, ILE146A, ILE146C, ILE149A, ILE149C, ILE158C, LEU104A, LEU104C, LEU108A, LEU108C, LEU116A, LEU116C, LEU193A, LEU193C, LYS114A, LYS114C, LYS117A, LYS117C, LYS142A, LYS142C, LYS143A, LYS143C, LYS7C, LYS93A, LYS93C, PHE126A, PHE126C, PHE194A, PHE194C, PHE199A, PHE199C, PRO105C, PRO197A, PRO197C, SER112A, SER112C, SER151A, SER151C, TRP111A, TRP111C, TYR145A, TYR145C, TYR91A, TYR91C, VAL109A, VAL109C, VAL154A, VAL154C
• B-C: ALA219C, ALA254C, ALA279C, ALA284C, ALA319B, ALA80B, ALA9B, ARG278C, ARG34C, ARG81B, ASN122B, ASN16B, ASN174C, ASN17B, ASN211C, ASN5B, ASN82B, ASP173C, ASP317B, ASP79B, ASP84B, CYS85B, GLN119B, GLN13B, GLN286C, GLN324B, GLN40C, GLN62B, GLN6B, GLU118B, GLU12B, GLU18B, GLU220C, GLU222C, GLU255C, GLU290C, GLU58B, GLY120B, GLY175C, GLY19B, GLY221C, GLY251C, GLY283C, HIS265B, HIS39C, ILE20B, ILE8B, LEU256C, LEU315B, LYS117B, LYS213C, LYS270B, LYS313B, LYS316B, LYS323B, LYS38C, LYS83B, PHE218C, PHE257C, PRO172C, SER176C, SER253C, SER282C, SER321B, SER78B, THR280C, THR303C, THR318B, THR320B, THR41C, THR61B, TRP281C, TRP299C, TRP322B, TYR214C, TYR96C, VAL177C, VAL252C, VAL285C, VAL287C, VAL314B, VAL98C
• B-D: ALA113B, ALA113D, ALA144B, ALA144D, ALA155B, ALA155D, ARG115B, ARG115D, ARG148B, ARG148D, ARG198B, ARG198D, ASN139B, ASN139D, ASN200B, ASN200D, ASP106B, ASP106D, ASP157B, ASP157D, CYS107B, CYS107D, CYS153B, CYS153D, GLN141B, GLN141D, GLU110B, GLU110D, GLU118B, GLU118D, GLU136B, GLU136D, GLU137B, GLU137D, GLU147B, GLU147D, GLU152B, GLU152D, GLU156B, GLU156D, GLU196B, GLU92B, GLU92D, GLY150B, GLY150D, ILE138B, ILE138D, ILE140B, ILE140D, ILE146B, ILE146D, ILE149B, ILE149D, ILE158B, ILE158D, LEU104B, LEU104D, LEU108B, LEU108D, LEU116B, LEU116D, LEU193B, LEU193D, LYS114B, LYS114D, LYS117B, LYS117D, LYS142B, LYS142D, LYS143B, LYS143D, LYS93B, LYS93D, PHE126B, PHE126D, PHE194B, PHE194D, PHE199B, PHE199D, PRO105B, PRO105D, PRO197B, PRO197D, SER112B, SER112D, SER151B, SER151D, TRP111B, TRP111D, TYR145B, TYR145D, TYR91B, TYR91D, VAL109B, VAL109D, VAL154B, VAL154D