3UJH

crystal structure of substrate-bound glucose-6-phosphate isomerase from toxoplasma gondii

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 536
  • Norm. En. per Res.: -4.7557
• Hub Node: A(1)

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	-265.8064	-429.1734	-1854.1	-2549.0798	536	60	38	73542	32	209	185

Interface residues

• A-B: ALA168A, ALA168B, ALA170A, ALA170B, ALA171A, ALA171B, ALA175A, ALA175B, ALA176A, ALA176B, ALA179A, ALA179B, ALA188A, ALA188B, ALA198A, ALA198B, ALA219A, ALA219B, ALA225A, ALA225B, ALA333A, ALA333B, ALA342A, ALA342B, ALA347A, ALA347B, ALA349A, ALA349B, ALA355A, ALA355B, ALA35A, ALA35B, ALA419A, ALA419B, ALA439A, ALA439B, ALA443A, ALA443B, ALA445A, ALA445B, ALA522A, ALA522B, ARG182A, ARG182B, ARG200A, ARG200B, ARG226A, ARG226B, ARG229A, ARG229B, ARG277A, ARG277B, ARG28A, ARG28B, ARG352A, ARG352B, ARG368A, ARG368B, ARG36A, ARG36B, ARG404A, ARG404B, ARG418A, ARG418B, ARG472A, ARG472B, ARG526A, ARG526B, ARG532A, ARG532B, ARG533A, ARG533B, ARG54A, ARG54B, ARG551A, ARG551B, ASN189A, ASN189B, ASN224A, ASN224B, ASN332A, ASN332B, ASN340A, ASN340B, ASN365A, ASN365B, ASN37A, ASN37B, ASN391A, ASN391B, ASN429A, ASN429B, ASN436A, ASN436B, ASN508A, ASN508B, ASN92A, ASN92B, ASP191A, ASP191B, ASP194A, ASP194B, ASP230A, ASP230B, ASP33A, ASP33B, ASP372A, ASP372B, ASP379A, ASP379B, ASP38A, ASP38B, ASP431A, ASP431B, ASP442A, ASP442B, ASP511A, ASP511B, ASP51A, ASP51B, CYS414A, CYS414B, CYS475A, CYS475B, CYS547A, CYS547B, GLN183A, GLN292A, GLN348A, GLN348B, GLN358A, GLN358B, GLN359A, GLN359B, GLN393A, GLN393B, GLN398A, GLN398B, GLN402A, GLN402B, GLN417A, GLN417B, GLN440A, GLN440B, GLN46B, GLN512A, GLN512B, GLN530A, GLN530B, GLN559A, GLN559B, GLN560A, GLN560B, GLN89A, GLN89B, GLU163A, GLU163B, GLU172A, GLU172B, GLU177A, GLU177B, GLU199A, GLU199B, GLU220A, GLU220B, GLU34A, GLU34B, GLU363A, GLU363B, GLU382A, GLU382B, GLU387A, GLU387B, GLU424A, GLU424B, GLU425A, GLU425B, GLU432A, GLU432B, GLU452A, GLU452B, GLU456A, GLU456B, GLU460A, GLU460B, GLU481A, GLU481B, GLU516A, GLU516B, GLU534A, GLU534B, GLU555A, GLU555B, GLU91A, GLU91B, GLY154A, GLY154B, GLY156A, GLY156B, GLY157A, GLY157B, GLY173A, GLY173B, GLY181A, GLY181B, GLY201A, GLY276A, GLY276B, GLY337A, GLY337B, GLY366A, GLY366B, GLY373A, GLY373B, GLY381A, GLY381B, GLY386A, GLY386B, GLY389A, GLY389B, GLY392A, GLY392B, GLY403A, GLY403B, GLY412A, GLY412B, GLY447A, GLY447B, GLY470A, GLY470B, GLY47A, GLY47B, GLY506A, GLY506B, GLY514A, GLY514B, GLY518A, GLY518B, GLY524A, GLY524B, GLY527A, GLY527B, HIS166A, HIS180A, HIS180B, HIS234A, HIS356A, HIS356B, HIS394A, HIS394B, HIS401A, HIS401B, HIS430A, HIS430B, HIS465A, HIS465B, HIS486A, HIS486B, HIS556A, HIS556B, ILE155A, ILE155B, ILE357A, ILE357B, ILE383A, ILE383B, ILE400A, ILE400B, ILE406A, ILE406B, ILE411A, ILE411B, ILE41A, ILE41B, ILE420A, ILE420B, ILE458A, ILE458B, ILE482A, ILE482B, ILE507A, ILE507B, ILE528A, ILE528B, ILE553A, ILE553B, LEU160A, LEU160B, LEU167A, LEU167B, LEU169A, LEU169B, LEU187A, LEU187B, LEU197A, LEU197B, LEU233A, LEU233B, LEU31A, LEU31B, LEU350A, LEU350B, LEU351A, LEU351B, LEU360A, LEU360B, LEU376A, LEU376B, LEU399A, LEU399B, LEU39A, LEU39B, LEU40A, LEU40B, LEU422A, LEU422B, LEU433A, LEU433B, LEU444A, LEU444B, LEU453A, LEU453B, LEU462A, LEU462B, LEU477A, LEU477B, LEU478A, LEU478B, LEU50A, LEU50B, LEU517A, LEU517B, LEU521A, LEU521B, LEU529A, LEU529B, LEU546A, LEU546B, LEU554A, LEU554B, LYS32A, LYS32B, LYS367A, LYS367B, LYS374A, LYS374B, LYS415A, LYS415B, LYS421A, LYS421B, LYS423A, LYS423B, LYS448A, LYS448B, LYS461A, LYS461B, LYS466A, LYS466B, LYS519A, LYS519B, LYS523A, LYS523B, LYS531A, LYS531B, LYS552A, LYS552B, LYS562A, LYS562B, MET222A, MET222B, MET223A, MET223B, MET362A, MET362B, MET371A, MET371B, MET434A, MET434B, MET476A, MET476B, PHE186A, PHE186B, PHE378A, PHE378B, PHE384A, PHE384B, PHE385A, PHE385B, PHE396A, PHE396B, PHE410A, PHE410B, PHE413A, PHE413B, PHE437A, PHE437B, PHE438A, PHE438B, PHE446A, PHE446B, PHE468A, PHE468B, PHE479A, PHE479B, PHE52A, PHE52B, PRO192A, PRO192B, PRO345A, PRO345B, PRO354A, PRO354B, PRO388A, PRO388B, PRO407A, PRO407B, PRO426A, PRO426B, PRO441A, PRO441B, PRO450A, PRO450B, PRO464A, PRO464B, PRO469A, PRO469B, PRO480A, PRO480B, SER158A, SER158B, SER227A, SER227B, SER329A, SER329B, SER339A, SER339B, SER364A, SER364B, SER395A, SER395B, SER416A, SER416B, SER428A, SER428B, SER435A, SER435B, SER43A, SER43B, SER509B, SER53A, SER53B, SER544B, SER548A, SER548B, SER549A, SER549B, SER561A, SER561B, THR218A, THR218B, THR221A, THR221B, THR334A, THR334B, THR361A, THR361B, THR370A, THR370B, THR375A, THR375B, THR390A, THR390B, THR449A, THR449B, THR44A, THR44B, THR467A, THR467B, THR550A, THR550B, THR90A, THR90B, TRP196A, TRP196B, TRP231A, TRP231B, TRP505A, TRP505B, TRP513A, TRP513B, TYR159A, TYR159B, TYR293A, TYR293B, TYR338A, TYR338B, TYR346A, TYR346B, TYR397A, TYR397B, TYR49A, TYR49B, TYR557A, TYR557B, VAL190A, VAL190B, VAL193A, VAL193B, VAL195A, VAL195B, VAL228A, VAL228B, VAL330A, VAL330B, VAL341A, VAL341B, VAL369A, VAL369B, VAL380A, VAL380B, VAL405A, VAL405B, VAL427A, VAL427B, VAL463A, VAL463B, VAL48A, VAL48B, VAL515A, VAL515B, VAL520A, VAL520B, VAL525A, VAL525B, VAL558A, VAL558B