2E89

crystal structure of aquifex aeolicus tils in a complex with atp, magnesium ion, and l-lysine

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 166
  • Norm. En. per Res.: -3.7118
• 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	-37.0395	-119.5313	-459.589	-616.1598	166	20	14	21725	9	81	100
A-C	-7.2921	-12.4514	-69.1755	-88.919	41	6	0	3101	1	22	26
C-D	-24.4682	-107.9461	-485.651	-618.0653	169	17	13	22057	7	81	97

Interface residues

• A-B: ALA232A, ALA232B, ALA241A, ALA241B, ALA265A, ALA265B, ARG148A, ARG148B, ARG201A, ARG201B, ARG203A, ARG203B, ARG207A, ARG207B, ARG214A, ARG214B, ARG231A, ARG231B, ARG234A, ARG234B, ARG268A, ARG268B, ARG269A, ARG269B, ARG272A, ARG272B, ARG287A, ASN202A, ASN202B, ASN216A, ASN216B, ASN218A, ASN218B, ASP153A, ASP153B, ASP17A, ASP17B, ASP221A, ASP221B, ASP279A, ASP279B, GLN267A, GLN267B, GLU140A, GLU140B, GLU211A, GLU211B, GLU217A, GLU217B, GLU220A, GLU220B, GLU233A, GLU233B, GLU235A, GLU235B, GLU238A, GLU238B, GLU239A, GLU239B, GLU240A, GLU240B, GLU281A, GLU281B, GLU284A, GLU284B, GLY149A, GLY149B, GLY151A, GLY151B, GLY154A, GLY154B, HIS206A, HIS206B, ILE156A, ILE156B, ILE199A, ILE199B, ILE204A, ILE204B, ILE209A, ILE209B, ILE215A, ILE215B, LEU138A, LEU138B, LEU139A, LEU139B, LEU143A, LEU143B, LEU144A, LEU144B, LEU152A, LEU152B, LEU155A, LEU155B, LEU212A, LEU212B, LEU219A, LEU219B, LEU224A, LEU224B, LEU230A, LEU230B, LEU237A, LEU237B, LEU244A, LEU244B, LEU264A, LEU264B, LEU266A, LEU266B, LYS213A, LYS213B, LYS225A, LYS225B, LYS228A, LYS228B, LYS243A, LYS243B, LYS262A, LYS262B, LYS278A, LYS278B, LYS282A, MET226A, MET226B, PHE145A, PHE145B, PHE146A, PHE146B, PHE223A, PHE223B, PHE236A, PHE236B, PRO200A, PRO200B, PRO210A, PRO210B, PRO263A, PRO263B, SER142A, SER142B, SER198A, SER198B, THR141A, THR141B, THR147A, THR147B, THR150A, THR150B, THR222A, THR222B, TYR171A, TYR171B, TYR280A, TYR280B, VAL197A, VAL197B, VAL208A, VAL208B, VAL227A, VAL227B, VAL229A, VAL229B, VAL283A, VAL283B
• A-C: ARG309C, ASN252C, ASN297A, ASP255C, CYS253C, CYS312C, GLU281A, GLU295A, GLU308C, GLU316A, GLY251C, GLY293A, GLY294A, GLY299A, GLY301A, LEU254C, LEU285A, LEU298A, LEU311C, LYS246C, LYS249C, LYS250C, LYS282A, LYS292A, LYS300A, LYS302A, LYS305A, LYS305C, LYS307C, PHE274C, PHE313C, PRO315A, SER288A, SER314A, SER314C, TRP310C, TYR245C, VAL248C, VAL296A, VAL303A, VAL317A
• C-D: ALA232C, ALA232D, ALA241C, ALA241D, ALA265C, ALA265D, ARG148C, ARG148D, ARG201C, ARG201D, ARG203C, ARG203D, ARG205C, ARG205D, ARG207C, ARG207D, ARG214C, ARG214D, ARG231C, ARG231D, ARG234C, ARG234D, ARG268C, ARG268D, ARG269C, ARG269D, ARG272C, ARG272D, ARG287C, ARG287D, ASN202C, ASN202D, ASN216C, ASN216D, ASN218C, ASN218D, ASP153C, ASP153D, ASP221C, ASP221D, ASP279C, ASP279D, GLN267C, GLN267D, GLU106D, GLU140C, GLU140D, GLU211C, GLU211D, GLU217C, GLU217D, GLU220C, GLU220D, GLU233C, GLU233D, GLU235C, GLU235D, GLU238C, GLU238D, GLU239C, GLU239D, GLU240C, GLU240D, GLU281C, GLU281D, GLU284C, GLU284D, GLY149C, GLY149D, GLY151C, GLY151D, GLY154C, GLY154D, HIS206C, HIS206D, ILE156C, ILE156D, ILE199C, ILE199D, ILE204C, ILE204D, ILE209C, ILE209D, ILE215C, ILE215D, LEU138C, LEU138D, LEU139C, LEU139D, LEU143C, LEU143D, LEU144C, LEU144D, LEU152C, LEU152D, LEU155C, LEU155D, LEU212C, LEU212D, LEU219C, LEU219D, LEU224C, LEU224D, LEU230C, LEU230D, LEU237C, LEU237D, LEU244C, LEU244D, LEU264C, LEU264D, LEU266C, LEU266D, LYS213C, LYS213D, LYS225C, LYS225D, LYS228C, LYS228D, LYS243C, LYS243D, LYS262C, LYS262D, LYS278C, LYS278D, LYS282C, LYS282D, MET226C, MET226D, PHE145C, PHE145D, PHE146C, PHE146D, PHE223C, PHE223D, PHE236C, PHE236D, PRO200C, PRO200D, PRO210C, PRO210D, PRO263C, PRO263D, SER142C, SER142D, SER198C, SER198D, THR141C, THR141D, THR147C, THR147D, THR150C, THR150D, THR222C, THR222D, TYR171C, TYR171D, TYR280C, TYR280D, VAL197C, VAL197D, VAL208C, VAL208D, VAL227C, VAL227D, VAL229C, VAL229D, VAL283C, VAL283D