2FLO

crystal structure of exopolyphosphatase (ppx) from e. coli o157:h7

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 70
  • Norm. En. per Res.: -3.0524
• 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	0.0	61.0094	-354.51	-293.5006	175	15	5	13954	1	36	42
A-C	-26.1537	9.3996	-196.702	-213.4561	122	17	0	8324	7	54	56
B-C	-42.0874	-64.8544	-106.725	-213.6668	70	4	0	4458	6	29	19
C-D	0.0	63.4658	-361.88	-298.4142	171	16	6	13903	0	35	40

Interface residues

• A-B: ALA190A, ALA193A, ALA193B, ALA194A, ALA194B, ALA195A, ALA195B, ALA284A, ALA284B, ALA386A, ALA386B, ALA451A, ALA451B, ALA480A, ALA480B, ARG123A, ARG123B, ARG165A, ARG165B, ARG166A, ARG166B, ARG189A, ARG189B, ARG191A, ARG191B, ARG206A, ARG206B, ARG335A, ARG335B, ARG383A, ARG383B, ARG410A, ARG410B, ARG413A, ARG413B, ARG449A, ARG449B, ASN119A, ASN119B, ASN375A, ASN375B, ASN377A, ASN377B, ASN391A, ASN391B, ASN446A, ASN446B, ASN447A, ASN447B, ASP283A, ASP283B, ASP329A, ASP329B, ASP393A, ASP393B, ASP485A, ASP485B, GLN188A, GLN188B, GLN196A, GLN196B, GLN204A, GLN204B, GLN325A, GLN325B, GLN332A, GLN332B, GLN390A, GLN390B, GLN402A, GLN402B, GLN448A, GLN448B, GLN450A, GLN450B, GLU163A, GLU163B, GLU199A, GLU199B, GLU371A, GLU371B, GLU487A, GLU487B, GLU489A, GLU489B, GLY118A, GLY118B, GLY280A, GLY280B, GLY373A, GLY373B, GLY380A, GLY380B, HIS327A, HIS327B, HIS378A, HIS378B, HIS382A, HIS382B, HIS384A, HIS384B, ILE160A, ILE207A, ILE207B, ILE376A, ILE376B, ILE388A, ILE388B, LEU161A, LEU198A, LEU198B, LEU201A, LEU201B, LEU322A, LEU322B, LEU374A, LEU374B, LEU381A, LEU381B, LEU389A, LEU389B, LEU394A, LEU394B, LEU444A, LEU444B, LEU445B, LEU481A, LEU481B, LEU483A, LEU483B, LEU484A, LEU484B, LEU486A, LEU486B, LYS197A, LYS197B, LYS414A, LYS414B, LYS488A, LYS488B, PHE205A, SER117A, SER117B, SER164A, SER164B, SER379A, SER379B, SER385A, SER385B, SER392A, SER392B, THR200A, THR200B, THR202A, THR202B, THR452A, THR452B, TRP203A, TRP203B, TYR176A, TYR176B, TYR326A, TYR326B, TYR387A, TYR387B, TYR492A, TYR492B, VAL162A, VAL162B, VAL372A, VAL372B, VAL443A, VAL443B, VAL482A, VAL482B
• A-C: ALA213A, ALA286A, ALA319A, ALA323A, ALA323C, ALA333A, ALA333C, ALA34C, ALA355C, ALA361C, ARG138A, ARG206A, ARG241A, ARG288A, ARG291A, ARG29C, ARG308C, ARG310C, ARG317A, ARG334A, ARG334C, ARG335A, ARG335C, ARG348C, ARG364A, ARG364C, ARG449A, ASN156A, ASN156C, ASN211A, ASN324A, ASN324C, ASN375A, ASP234A, ASP329A, ASP329C, ASP32C, ASP338A, ASP338C, GLN204A, GLN208A, GLN312C, GLN325A, GLN332A, GLN332C, GLN342C, GLN346C, GLN36C, GLN450A, GLU130C, GLU135A, GLU155A, GLU158A, GLU158C, GLU289A, GLU306C, GLU331A, GLU331C, GLU345C, GLU349C, GLU360C, GLY137A, GLY154A, GLY209A, GLY307C, GLY33C, HIS131C, HIS311C, HIS327A, ILE153A, ILE160A, ILE207A, ILE236A, ILE287A, ILE328A, ILE328C, ILE37C, LEU140A, LEU285A, LEU322A, LEU337A, LEU337C, LEU374A, LEU458C, LYS136A, LYS136C, LYS139A, PHE157A, PHE157C, PHE205A, PHE309C, PRO134A, PRO134C, PRO159A, PRO352C, PRO357C, PRO455C, PRO456C, SER316A, SER316C, SER320A, SER320C, SER321A, SER330A, SER330C, THR132C, THR202A, THR238A, THR318A, THR339C, THR340C, THR454C, THR457C, TRP203A, TRP210A, TRP365C, TYR303C, TYR326A, TYR344C, VAL212A, VAL30C, VAL31C
• B-C: ALA213C, ALA451B, ARG138B, ARG138C, ARG206B, ARG206C, ARG241C, ARG288B, ARG288C, ARG291C, ARG317B, ARG317C, ASN156B, ASN156C, ASN211B, ASN211C, ASN324B, ASN324C, ASP234C, ASP329B, GLN133C, GLN204B, GLN208B, GLN208C, GLN325B, GLN325C, GLN450B, GLU135C, GLU155B, GLU155C, GLU158B, GLU158C, GLU289C, GLU331B, GLU331C, GLY137B, GLY137C, GLY154B, GLY209B, GLY209C, HIS327B, HIS327C, ILE153B, ILE160B, ILE160C, ILE207B, ILE207C, ILE236C, LEU161B, LEU322B, LYS136B, LYS136C, LYS139C, LYS233C, PHE157B, PHE157C, PHE205B, PRO134C, PRO159B, SER321B, SER330B, SER330C, THR132C, THR238C, TRP203B, TRP210B, TRP210C, TYR326B, VAL162B, VAL212C
• C-D: ALA193C, ALA193D, ALA194C, ALA194D, ALA195C, ALA195D, ALA284C, ALA284D, ALA386C, ALA386D, ALA451C, ALA451D, ALA480C, ALA480D, ARG123D, ARG165C, ARG165D, ARG166C, ARG166D, ARG189C, ARG189D, ARG191C, ARG191D, ARG206C, ARG206D, ARG335C, ARG335D, ARG383C, ARG383D, ARG410C, ARG410D, ARG413C, ARG413D, ARG449C, ARG449D, ASN119C, ASN119D, ASN375C, ASN375D, ASN377C, ASN377D, ASN391C, ASN391D, ASN446C, ASN446D, ASN447C, ASN447D, ASP283C, ASP283D, ASP329C, ASP329D, ASP393C, ASP393D, ASP485C, ASP485D, GLN188C, GLN188D, GLN196C, GLN196D, GLN204C, GLN204D, GLN325C, GLN325D, GLN332C, GLN332D, GLN390C, GLN390D, GLN402C, GLN402D, GLN448C, GLN448D, GLN450C, GLN450D, GLU163C, GLU163D, GLU199C, GLU199D, GLU331C, GLU371C, GLU371D, GLU487C, GLU487D, GLU489C, GLU489D, GLY280C, GLY280D, GLY373C, GLY373D, GLY380C, GLY380D, HIS327C, HIS327D, HIS378C, HIS378D, HIS382C, HIS382D, HIS384C, HIS384D, ILE207C, ILE207D, ILE376C, ILE376D, ILE388C, ILE388D, LEU161D, LEU198C, LEU198D, LEU201C, LEU201D, LEU322C, LEU322D, LEU374C, LEU374D, LEU381C, LEU381D, LEU389C, LEU389D, LEU394C, LEU394D, LEU444C, LEU444D, LEU445C, LEU481C, LEU481D, LEU483C, LEU483D, LEU484C, LEU484D, LEU486C, LEU486D, LYS197C, LYS197D, LYS414C, LYS414D, LYS488C, LYS488D, PHE205D, SER117C, SER117D, SER164C, SER164D, SER379C, SER379D, SER385C, SER385D, SER392C, SER392D, THR200C, THR200D, THR202C, THR202D, THR452C, THR452D, TRP203C, TRP203D, TYR176C, TYR176D, TYR326C, TYR326D, TYR387C, TYR387D, TYR492C, TYR492D, VAL162C, VAL162D, VAL372C, VAL372D, VAL443C, VAL443D, VAL482C, VAL482D