2ES4

crystal structure of the burkholderia glumae lipase- specific foldase in complex with its cognate lipase

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 36
  • Norm. En. per Res.: -3.292
• Hub Node: A(3)

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-D	-118.9784	-88.6385	-611.742	-819.3589	268	23	23	26082	10	55	59
A-B	-51.6661	0.0	-66.8448	-118.5109	36	6	0	2007	0	4	7
A-E	0.0	0.0	-9.4974	-9.4974	23	0	0	709	0	3	3
D-B	0.0	0.0	-3.9331	-3.9331	18	0	0	361	0	3	3
D-E	-8.5497	0.1707	-34.8806	-43.2597	46	3	7	1933	2	15	17
B-E	-101.9619	-107.1891	-627.554	-836.705	280	28	31	27430	11	53	63

Interface residues

• A-D: ALA100A, ALA140D, ALA141A, ALA156D, ALA157D, ALA161D, ALA198D, ALA1A, ALA229D, ALA232D, ALA236D, ALA237A, ALA241D, ALA246A, ALA24A, ALA265D, ALA266D, ALA267D, ALA269D, ALA270D, ALA298A, ALA300A, ALA305A, ALA317D, ALA321D, ALA324D, ALA325D, ALA331D, ALA42A, ALA47A, ALA57D, ALA62D, ALA64D, ALA67A, ALA68D, ALA74A, ALA75A, ALA78A, ALA84D, ALA95D, ALA97A, ALA98A, ARG165D, ARG177A, ARG186D, ARG187D, ARG189D, ARG194D, ARG196D, ARG268D, ARG290D, ARG296A, ARG308A, ARG311D, ARG313A, ARG323D, ARG329D, ARG70D, ARG83D, ARG86D, ARG94A, ASN144A, ASN178A, ASN199D, ASN238A, ASN25A, ASN290A, ASN299A, ASN312A, ASN48A, ASN59A, ASP137D, ASP151D, ASP154D, ASP183D, ASP191D, ASP21A, ASP235A, ASP235D, ASP241A, ASP242D, ASP275D, ASP276D, ASP28A, ASP2A, ASP302A, ASP328D, ASP36A, ASP55A, ASP56A, ASP90D, GLN102A, GLN115D, GLN159D, GLN164D, GLN185D, GLN188D, GLN226D, GLN227D, GLN233D, GLN234D, GLN244D, GLN271D, GLN273D, GLN275A, GLN291A, GLN317A, GLN34A, GLN38A, GLN64A, GLN71A, GLN96D, GLU184D, GLU193D, GLU223D, GLU264D, GLU301A, GLU320D, GLU63A, GLU87D, GLU98D, GLY150D, GLY200A, GLY201A, GLY232A, GLY294A, GLY297A, GLY319D, GLY32A, GLY330D, GLY332D, GLY57A, GLY60A, GLY61D, GLY62A, GLY65D, GLY77A, GLY97D, HIS190D, HIS231D, HIS282A, HIS310A, HIS40A, HIS67D, ILE12A, ILE195D, ILE197D, ILE240D, ILE257D, ILE277A, ILE307A, ILE322D, ILE33A, LEU103A, LEU139D, LEU149A, LEU149D, LEU153D, LEU160D, LEU162D, LEU168D, LEU192D, LEU212D, LEU230D, LEU234A, LEU243D, LEU245A, LEU248A, LEU261D, LEU292A, LEU293A, LEU314A, LEU316A, LEU327D, LEU37A, LEU63D, LEU66A, LEU73A, LEU93D, LEU99D, LYS152D, LYS22A, LYS239D, LYS245D, LYS315A, LYS43A, LYS70A, MET158D, MET253D, MET272D, PHE136D, PHE179A, PHE181D, PHE23A, PHE52A, PHE88D, PHE89D, PRO101A, PRO10A, PRO155D, PRO180A, PRO242A, PRO303A, PRO318D, PRO56D, PRO58A, PRO60D, PRO69D, SER202A, SER230A, SER243A, SER278A, SER280A, SER326D, SER35A, SER39A, SER54A, SER66D, THR148A, THR174A, THR231A, THR233A, THR238D, THR240A, THR244A, THR279A, THR309A, THR316D, THR3A, THR76A, THR79A, THR94D, TRP209A, TRP279D, TRP283A, TRP30A, TYR132D, TYR135D, TYR175A, TYR207A, TYR281A, TYR283D, TYR31A, TYR45A, TYR4A, TYR68A, TYR91D, TYR95A, VAL11A, VAL145A, VAL148D, VAL199A, VAL236A, VAL237D, VAL239A, VAL26A, VAL276A, VAL27A, VAL295A, VAL304A, VAL306A, VAL311A, VAL44A, VAL46A, VAL69A, VAL72A, VAL96A, VAL99A
• A-B: ALA160A, ALA160B, ALA24A, ASN144A, ASN144B, ASN155A, ASN155B, ASP130A, ASP130B, ASP157A, ASP157B, ASP159A, ASP159B, GLN158A, GLN158B, GLY147A, GLY147B, HIS154A, HIS154B, LEU134B, PRO131A, PRO131B, SER151A, SER153A, SER153B, THR129B, THR132A, THR132B, THR148A, THR148B, THR156A, THR156B, VAL143A, VAL143B, VAL150A, VAL150B
• A-E: ALA198E, ALA24A, ASN199E, ASN25A, ASN48A, ASP200E, ASP21A, GLN207E, GLU206E, LEU203E, LYS208E, LYS22A, PRO205E, SER151A, SER152A, SER153A, SER204E, SER50A, THR201E, THR202E, THR20A, VAL26A, VAL27A
• D-B: ALA198D, ASN199D, ASN25B, ASN48B, ASP200D, ASP21B, GLN64B, HIS154B, LEU203D, LEU49B, LYS208D, LYS22B, SER152B, SER204D, SER50B, THR202D, THR20B, VAL26B
• D-E: ALA198D, ALA209D, ALA209E, ALA210D, ALA210E, ALA213D, ALA213E, ALA214D, ALA241E, ARG194D, ARG194E, ARG211D, ARG211E, ASP216D, ASP235D, ASP242D, ASP242E, GLN207D, GLN207E, GLN227D, GLN234D, GLN234E, GLU206E, HIS190D, HIS231D, HIS231E, ILE195D, ILE197D, LEU203D, LEU203E, LEU212D, LEU212E, LEU215D, LEU219D, LYS208D, LYS208E, LYS245D, LYS245E, PRO205E, SER204D, SER204E, THR201E, THR202D, THR202E, THR238D, THR238E
• B-E: ALA100B, ALA140B, ALA140E, ALA141B, ALA147E, ALA156E, ALA157E, ALA161E, ALA198E, ALA1B, ALA225E, ALA229E, ALA232E, ALA236E, ALA237B, ALA241E, ALA246B, ALA249B, ALA24B, ALA265E, ALA266E, ALA267E, ALA269E, ALA270E, ALA298B, ALA300B, ALA305B, ALA308E, ALA317E, ALA321E, ALA324E, ALA325E, ALA42B, ALA47B, ALA57E, ALA62E, ALA64E, ALA67B, ALA68E, ALA74B, ALA75B, ALA78B, ALA84E, ALA95E, ALA97B, ALA98B, ARG165E, ARG177B, ARG186E, ARG187E, ARG189E, ARG194E, ARG196E, ARG268E, ARG290E, ARG296B, ARG308B, ARG311E, ARG313B, ARG323E, ARG329E, ARG70E, ARG83E, ARG86E, ARG94B, ASN144B, ASN178B, ASN199E, ASN238B, ASN25B, ASN290B, ASN299B, ASN312B, ASN48B, ASN59B, ASP137E, ASP145E, ASP151E, ASP154E, ASP191E, ASP21B, ASP222E, ASP235B, ASP235E, ASP241B, ASP242E, ASP275E, ASP276E, ASP28B, ASP2B, ASP302B, ASP328E, ASP36B, ASP55B, ASP56B, ASP90E, GLN102B, GLN115E, GLN141E, GLN159E, GLN164E, GLN188E, GLN226E, GLN227E, GLN233E, GLN234E, GLN244E, GLN271E, GLN273E, GLN275B, GLN291B, GLN317B, GLN34B, GLN38B, GLN71B, GLN96E, GLU184E, GLU193E, GLU223E, GLU264E, GLU301B, GLU320E, GLU63B, GLU87E, GLU98E, GLY144E, GLY146E, GLY150E, GLY200B, GLY201B, GLY232B, GLY294B, GLY297B, GLY319E, GLY32B, GLY330E, GLY57B, GLY60B, GLY61E, GLY62B, GLY65E, GLY77B, GLY97E, HIS190E, HIS231E, HIS282B, HIS310B, HIS40B, HIS67E, ILE12B, ILE139B, ILE195E, ILE197E, ILE240E, ILE257E, ILE277B, ILE307B, ILE322E, ILE33B, LEU103B, LEU104E, LEU139E, LEU142E, LEU149B, LEU149E, LEU153E, LEU160E, LEU162E, LEU192E, LEU212E, LEU230E, LEU234B, LEU243E, LEU245B, LEU247B, LEU248B, LEU261E, LEU292B, LEU293B, LEU314B, LEU316B, LEU327E, LEU63E, LEU66B, LEU73B, LEU93E, LEU99E, LYS152E, LYS22B, LYS239E, LYS245E, LYS315B, LYS43B, LYS70B, MET158E, MET253E, MET272E, PHE136E, PHE142B, PHE146B, PHE179B, PHE181E, PHE23B, PHE52B, PHE88E, PHE89E, PRO101B, PRO10B, PRO143E, PRO155E, PRO180B, PRO242B, PRO303B, PRO318E, PRO56E, PRO58B, PRO60E, PRO69E, SER202B, SER230B, SER243B, SER278B, SER280B, SER326E, SER35B, SER39B, SER54B, SER66E, THR137B, THR148B, THR174B, THR212B, THR231B, THR233B, THR238E, THR240B, THR244B, THR250B, THR279B, THR309B, THR76B, THR79B, THR94E, TRP209B, TRP279E, TRP283B, TYR132E, TYR135E, TYR175B, TYR207B, TYR281B, TYR283E, TYR31B, TYR45B, TYR4B, TYR68B, TYR91E, TYR95B, VAL11B, VAL138B, VAL143B, VAL145B, VAL148E, VAL199B, VAL236B, VAL237E, VAL239B, VAL26B, VAL276B, VAL27B, VAL295B, VAL304B, VAL306B, VAL311B, VAL44B, VAL46B, VAL69B, VAL72B, VAL96B, VAL99B