2O2D

crystal structure of phosphoglucose isomerase from trypanosoma brucei complexed with citrate

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 524
  • Norm. En. per Res.: -4.4423
• 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	-7.8633	-19.3005	-74.4604	-101.6242	39	7	0	2681	6	22	26
B-C	-216.3923	-99.7512	-2011.62	-2327.7634	524	89	47	77692	25	169	151

Interface residues

• A-B: ARG134A, ARG137A, ARG144A, ARG178B, ARG185B, ASN143A, ASN171B, ASP162A, ASP165A, ASP175B, GLN130A, GLN176B, GLN224B, GLU136A, GLU182B, GLU188B, GLU344B, GLY135A, GLY163A, GLY187B, GLY342B, ILE159A, LEU174B, LYS164A, LYS183B, LYS190B, MET177B, PHE180B, PRO145A, PRO158A, SER131A, SER179B, SER181B, THR140A, THR186B, TRP189B, TYR160A, TYR343B, VAL161A
• B-C: ALA218B, ALA218C, ALA241B, ALA241C, ALA270B, ALA270C, ALA273B, ALA273C, ALA276B, ALA276C, ALA386B, ALA386C, ALA390B, ALA390C, ALA403B, ALA403C, ALA436B, ALA436C, ALA443B, ALA443C, ALA44B, ALA462B, ALA462C, ALA482B, ALA482C, ALA486B, ALA486C, ALA513B, ALA513C, ALA574B, ALA574C, ARG225B, ARG225C, ARG275B, ARG275C, ARG326B, ARG326C, ARG38B, ARG400B, ARG400C, ARG419B, ARG419C, ARG506C, ARG524B, ARG524C, ARG582B, ARG582C, ARG81B, ARG81C, ARG84B, ARG84C, ASN143B, ASN143C, ASN234B, ASN234C, ASN269B, ASN269C, ASN382B, ASN382C, ASN413B, ASN413C, ASN439B, ASN439C, ASN453B, ASN453C, ASN467B, ASN467C, ASN479B, ASN479C, ASN512B, ASN512C, ASN527B, ASN527C, ASN589B, ASN589C, ASN595B, ASN595C, ASN599B, ASN599C, ASN602B, ASN602C, ASN97B, ASN97C, ASP102B, ASP102C, ASP209B, ASP209C, ASP236B, ASP236C, ASP395B, ASP395C, ASP409B, ASP409C, ASP45B, ASP471B, ASP471C, ASP560B, ASP560C, ASP563B, ASP563C, ASP591B, ASP591C, ASP68C, ASP78B, ASP78C, ASP95B, ASP95C, GLN264B, GLN264C, GLN396B, GLN396C, GLN406B, GLN406C, GLN407B, GLN407C, GLN441B, GLN441C, GLN446B, GLN446C, GLN450B, GLN450C, GLN464B, GLN464C, GLN466B, GLN466C, GLN483B, GLN483C, GLN564B, GLN564C, GLN580B, GLN580C, GLN83B, GLN83C, GLU142B, GLU142C, GLU217B, GLU217C, GLU242B, GLU242C, GLU265B, GLU265C, GLU411B, GLU411C, GLU435B, GLU435C, GLU485B, GLU485C, GLU495B, GLU495C, GLU499B, GLU499C, GLU568B, GLU568C, GLU603B, GLU603C, GLU64C, GLU76B, GLU76C, GLU80B, GLU80C, GLU96B, GLU96C, GLY204B, GLY204C, GLY206B, GLY206C, GLY207B, GLY207C, GLY237B, GLY237C, GLY325B, GLY325C, GLY385B, GLY385C, GLY414B, GLY414C, GLY41B, GLY421B, GLY421C, GLY429B, GLY429C, GLY434B, GLY434C, GLY437B, GLY437C, GLY43B, GLY440B, GLY440C, GLY451B, GLY451C, GLY461B, GLY461C, GLY470B, GLY470C, GLY490B, GLY490C, GLY522B, GLY522C, GLY558B, GLY558C, GLY566B, GLY566C, GLY570B, GLY570C, GLY596B, GLY596C, GLY67C, GLY82B, GLY82C, HIS107C, HIS239B, HIS239C, HIS389B, HIS389C, HIS442B, HIS442C, HIS449B, HIS449C, HIS472B, HIS472C, HIS473B, HIS473C, HIS517B, HIS517C, HIS590B, HIS590C, HIS606B, HIS606C, HIS74B, HIS74C, ILE203B, ILE203C, ILE205B, ILE205C, ILE240B, ILE240C, ILE267B, ILE267C, ILE381B, ILE381C, ILE391B, ILE431B, ILE431C, ILE432B, ILE432C, ILE448B, ILE448C, ILE455B, ILE455C, ILE463B, ILE463C, ILE469B, ILE469C, ILE475B, ILE475C, ILE489B, ILE489C, ILE521B, ILE521C, ILE531B, ILE531C, ILE559B, ILE559C, ILE577B, ILE577C, ILE598B, ILE598C, ILE71B, ILE71C, LEU101B, LEU101C, LEU210B, LEU210C, LEU244B, LEU244C, LEU271B, LEU271C, LEU392B, LEU392C, LEU398B, LEU398C, LEU39B, LEU405B, LEU405C, LEU408B, LEU408C, LEU427B, LEU427C, LEU447B, LEU447C, LEU454B, LEU454C, LEU487B, LEU487C, LEU500B, LEU500C, LEU514B, LEU514C, LEU515B, LEU515C, LEU529B, LEU529C, LEU530B, LEU530C, LEU534B, LEU534C, LEU569B, LEU569C, LEU573B, LEU573C, LEU578B, LEU578C, LEU581B, LEU581C, LEU597B, LEU597C, LEU604B, LEU604C, LYS105B, LYS105C, LYS220B, LYS220C, LYS245B, LYS245C, LYS40B, LYS415B, LYS415C, LYS422B, LYS422C, LYS468B, LYS468C, LYS474B, LYS474C, LYS491B, LYS491C, LYS510B, LYS510C, LYS518B, LYS518C, LYS532B, LYS532C, LYS571B, LYS571C, LYS575B, LYS575C, LYS72B, LYS72C, LYS88B, LYS88C, MET410B, MET410C, MET477B, MET477C, MET488B, MET488C, MET600B, MET600C, PHE100B, PHE100C, PHE231B, PHE231C, PHE383C, PHE384C, PHE433B, PHE433C, PHE444B, PHE444C, PHE459B, PHE459C, PHE476B, PHE476C, PHE480B, PHE480C, PHE481B, PHE481C, PHE520B, PHE520C, PHE601B, PHE601C, PHE75B, PHE75C, PHE98B, PHE98C, PRO221B, PRO221C, PRO393B, PRO393C, PRO402B, PRO402C, PRO430B, PRO430C, PRO456B, PRO493C, PRO516B, PRO516C, PRO579B, PRO579C, PRO583B, PRO583C, PRO70C, SER104B, SER104C, SER106B, SER106C, SER208B, SER208C, SER223C, SER233B, SER233C, SER246B, SER246C, SER272B, SER272C, SER412B, SER412C, SER420B, SER420C, SER425B, SER425C, SER465B, SER465C, SER478B, SER478C, SER492B, SER492C, SER494C, SER526B, SER526C, SER533B, SER533C, SER561B, SER561C, SER576B, SER576C, SER592B, SER592C, SER593B, SER593C, SER605B, SER605C, SER79B, SER79C, SER86B, SER86C, THR140B, THR140C, THR141B, THR141C, THR238B, THR238C, THR263B, THR263C, THR266B, THR266C, THR268B, THR268C, THR388B, THR388C, THR418B, THR418C, THR423B, THR423C, THR426B, THR426C, THR428B, THR428C, THR438B, THR438C, THR452B, THR452C, THR484B, THR484C, THR519B, THR519C, THR528B, THR528C, THR594B, THR594C, TRP399B, TRP399C, TRP557B, TRP557C, TRP565B, TRP565C, TYR103B, TYR103C, TYR394B, TYR394C, TYR397B, TYR397C, TYR404B, TYR404C, TYR416B, TYR416C, TYR445B, TYR445C, TYR63C, TYR85B, TYR85C, VAL213B, VAL213C, VAL232B, VAL232C, VAL235B, VAL235C, VAL243B, VAL243C, VAL387B, VAL387C, VAL417B, VAL417C, VAL424B, VAL424C, VAL42B, VAL496B, VAL496C, VAL567B, VAL567C, VAL572B, VAL572C, VAL587B, VAL587C, VAL87B, VAL87C