1OZH

the crystal structure of klebsiella pneumoniae acetolactate synthase with enzyme-bound cofactor and with an unusual intermediate.

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 267
  • Norm. En. per Res.: -3.9742
• 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-B	-120.7653	-160.0332	-780.326	-1061.1245	267	29	6	29917	16	74	56
A-C	0.0	8.106	-13.056	-4.95	32	0	4	1262	0	17	17
A-D	-115.4416	-105.9209	-320.015	-541.3775	140	27	0	12608	13	23	33
B-C	-53.4473	-90.719	-225.217	-369.3833	120	18	0	9095	8	25	33
B-D	0.0	9.2723	-10.991	-1.7187	28	0	2	970	0	12	15
C-D	-135.5324	-138.5823	-768.673	-1042.7877	269	24	6	29631	16	80	60

Interface residues

• A-B: ALA112A, ALA112B, ALA126A, ALA126B, ALA14A, ALA14B, ALA35A, ALA35B, ALA481A, ALA481B, ALA503A, ALA503B, ALA505A, ALA505B, ALA510A, ALA510B, ALA58A, ALA58B, ALA93A, ALA93B, ARG312A, ARG312B, ARG462A, ARG462B, ARG490A, ARG490B, ARG55A, ARG55B, ASN417A, ASN417B, ASN475A, ASN475B, ASN59A, ASN59B, ASN87A, ASN87B, ASN96A, ASN96B, ASP113A, ASP113B, ASP123A, ASP123B, ASP15A, ASP15B, ASP173A, ASP173B, ASP38A, ASP38B, ASP42A, ASP42B, ASP447A, ASP447B, ASP46A, ASP46B, ASP474A, ASP500A, ASP500B, CYS85A, CYS85B, GLN169A, GLN169B, GLN419A, GLN419B, GLN420A, GLN420B, GLN452A, GLN452B, GLN483A, GLN483B, GLN489A, GLN489B, GLU289A, GLU289B, GLU456A, GLU456B, GLU458A, GLU458B, GLU484A, GLU484B, GLU485A, GLU485B, GLU495A, GLU495B, GLU506A, GLU506B, GLU57A, GLU57B, GLY31A, GLY31B, GLY34A, GLY34B, GLY418A, GLY418B, GLY423A, GLY423B, GLY446A, GLY446B, GLY448A, GLY448B, GLY449A, GLY449B, GLY476A, GLY476B, GLY493A, GLY493B, GLY497A, GLY497B, GLY509A, GLY509B, GLY82A, GLY82B, GLY84A, GLY84B, GLY91A, GLY91B, HIS12A, HIS12B, HIS56A, HIS56B, ILE32A, ILE32B, ILE37A, ILE37B, ILE471A, ILE471B, ILE51A, ILE51B, ILE52A, ILE52B, ILE558A, ILE558B, ILE89A, ILE89B, LEU44A, LEU44B, LEU451A, LEU451B, LEU457A, LEU457B, LEU45A, LEU45B, LEU491A, LEU491B, LEU555A, LEU555B, LEU559B, LEU78A, LEU78B, LEU88A, LEU88B, LYS110A, LYS114A, LYS36A, LYS36B, LYS39A, LYS39B, LYS487A, LYS487B, LYS502A, LYS502B, MET122A, MET122B, MET127A, MET127B, MET394A, MET394B, MET422A, MET422B, MET455A, MET455B, MET479A, MET479B, MET499A, MET499B, MET92A, MET92B, PHE128A, PHE128B, PHE41A, PHE41B, PHE450A, PHE450B, PHE496A, PHE496B, PHE501A, PHE501B, PHE508A, PHE508B, PHE62A, PHE62B, PRO130A, PRO130B, PRO33A, PRO33B, PRO498A, PRO498B, PRO53A, PRO53B, PRO83A, PRO83B, SER121A, SER121B, SER129A, SER129B, SER43A, SER43B, SER453A, SER453B, SER454A, SER454B, SER47A, SER47B, SER492A, SER492B, SER507A, SER507B, SER81A, SER81B, SER86A, SER86B, SER97A, SER97B, THR124A, THR124B, THR132A, THR132B, THR421A, THR421B, THR459A, THR459B, THR80A, THR80B, THR90A, THR90B, THR94A, THR94B, TYR477A, TYR477B, TYR488A, TYR488B, TYR504A, TYR504B, VAL109A, VAL109B, VAL125A, VAL125B, VAL131A, VAL131B, VAL172A, VAL172B, VAL18A, VAL18B, VAL286A, VAL286B, VAL40A, VAL40B, VAL424A, VAL424B, VAL461A, VAL461B, VAL473A, VAL480A, VAL480B, VAL494A, VAL494B, VAL54A, VAL54B
• A-C: ALA112A, ALA112C, ALA115C, ALA140A, ALA140C, ALA143A, ALA143C, ARG111A, ARG111C, ASN150A, ASP113A, ASP113C, ASP123C, ASP142A, ASP142C, GLU137A, GLU137C, GLU146A, ILE136A, ILE136C, LEU144A, LYS110C, LYS114A, LYS114C, LYS116C, PRO141A, PRO141C, THR139A, THR139C, VAL125A, VAL138A, VAL147A
• A-D: ALA140A, ALA140D, ALA143A, ALA143D, ALA145A, ALA145D, ALA154D, ALA183A, ALA183D, ALA186A, ALA186D, ALA191A, ALA191D, ALA192A, ALA192D, ALA196A, ALA196D, ALA308A, ALA308D, ARG153A, ARG153D, ARG312A, ARG312D, ASN150A, ASN150D, ASN294D, ASN297D, ASN313A, ASN313D, ASP142A, ASP142D, ASP194A, ASP194D, ASP195A, ASP195D, ASP198D, ASP304A, ASP304D, ASP317A, ASP317D, ASP323A, ASP323D, GLN157A, GLN157D, GLN188A, GLN188D, GLN199D, GLN20A, GLN20D, GLN24A, GLN24D, GLU146A, GLU146D, GLU310A, GLU310D, GLU311A, GLU311D, GLU319A, GLU319D, GLY158A, GLY158D, GLY178A, GLY178D, GLY185A, GLY185D, GLY190A, GLY190D, GLY296A, GLY296D, GLY322A, GLY322D, GLY326A, HIS302A, HIS302D, ILE197A, ILE197D, LEU144A, LEU144D, LEU16A, LEU181A, LEU181D, LEU306A, LEU306D, LEU320A, LEU320D, LYS179A, LYS179D, LYS330A, LYS330D, MET189A, MET189D, PRO141A, PRO141D, PRO182A, PRO182D, PRO187A, PRO187D, PRO193A, PRO193D, PRO285D, PRO307A, PRO307D, PRO316A, PRO316D, SER149A, SER149D, SER177A, SER177D, SER184A, SER184D, SER295A, SER295D, THR139A, THR315A, THR315D, THR327A, THR327D, TYR134A, TYR134D, TYR309A, TYR309D, TYR314A, TYR314D, VAL138A, VAL138D, VAL147A, VAL147D, VAL176A, VAL176D, VAL180A, VAL180D, VAL200D, VAL305A, VAL305D, VAL318A, VAL318D, VAL321A, VAL321D, VAL7A, VAL7D
• B-C: ALA140B, ALA140C, ALA143B, ALA143C, ALA145B, ALA145C, ALA183B, ALA183C, ALA186B, ALA186C, ALA191B, ALA191C, ALA192B, ALA192C, ALA196B, ALA196C, ALA308B, ALA308C, ARG153B, ARG153C, ARG312B, ARG312C, ASN150B, ASN150C, ASN313B, ASN313C, ASP142B, ASP142C, ASP194B, ASP194C, ASP195B, ASP195C, ASP198C, ASP304B, ASP304C, ASP317B, ASP317C, ASP323B, ASP323C, GLN157B, GLN157C, GLN188B, GLN199C, GLN20B, GLU146B, GLU146C, GLU310B, GLU310C, GLU311B, GLU311C, GLU319B, GLU319C, GLY158B, GLY158C, GLY178B, GLY178C, GLY185B, GLY185C, GLY190C, GLY322B, GLY322C, GLY326B, HIS302C, ILE197B, ILE197C, LEU144B, LEU144C, LEU181B, LEU181C, LEU203C, LEU306B, LEU306C, LEU320B, LEU320C, LYS179B, LYS179C, MET189B, MET189C, PRO141B, PRO141C, PRO182B, PRO182C, PRO187B, PRO193B, PRO193C, PRO307B, PRO307C, PRO316B, PRO316C, SER149B, SER149C, SER177B, SER177C, SER184B, SER184C, SER295B, SER295C, THR139C, THR315B, THR315C, TYR309B, TYR309C, TYR314B, TYR314C, VAL138B, VAL138C, VAL147B, VAL147C, VAL180B, VAL180C, VAL200C, VAL301C, VAL305B, VAL305C, VAL318B, VAL318C, VAL321B, VAL321C, VAL7B, VAL7C
• B-D: ALA112B, ALA112D, ALA126B, ALA126D, ALA140B, ALA140D, ALA143B, ALA143D, ARG111B, ARG111D, ASP113B, ASP113D, ASP123B, ASP123D, ASP142B, ASP142D, GLU137B, GLU137D, ILE136B, LYS110B, LYS110D, LYS114D, PRO141B, PRO141D, THR139B, THR139D, VAL125B, VAL125D
• C-D: ALA112C, ALA112D, ALA115C, ALA126C, ALA126D, ALA14C, ALA14D, ALA35C, ALA35D, ALA481C, ALA481D, ALA503C, ALA503D, ALA505C, ALA505D, ALA510C, ALA510D, ALA58C, ALA58D, ALA93C, ALA93D, ARG312C, ARG312D, ARG462C, ARG462D, ARG490C, ARG490D, ARG55C, ARG55D, ASN417C, ASN417D, ASN475C, ASN475D, ASN59C, ASN59D, ASN87C, ASN87D, ASN96C, ASP113C, ASP113D, ASP123C, ASP123D, ASP15C, ASP15D, ASP173C, ASP173D, ASP38C, ASP38D, ASP42C, ASP42D, ASP447C, ASP447D, ASP46C, ASP46D, ASP474C, ASP474D, ASP500C, ASP500D, CYS85C, CYS85D, GLN169C, GLN169D, GLN419C, GLN419D, GLN420C, GLN420D, GLN452C, GLN452D, GLN483C, GLN483D, GLN489C, GLN489D, GLU289C, GLU289D, GLU310D, GLU311D, GLU456C, GLU456D, GLU458C, GLU458D, GLU484C, GLU484D, GLU485C, GLU495C, GLU495D, GLU506C, GLU506D, GLU57C, GLU57D, GLY31C, GLY31D, GLY34C, GLY34D, GLY418C, GLY418D, GLY423C, GLY423D, GLY446C, GLY446D, GLY448C, GLY448D, GLY449C, GLY449D, GLY476C, GLY476D, GLY493C, GLY493D, GLY497C, GLY497D, GLY509C, GLY509D, GLY82C, GLY82D, GLY84C, GLY84D, GLY91C, GLY91D, HIS12C, HIS12D, HIS56C, HIS56D, ILE32C, ILE32D, ILE37C, ILE37D, ILE471C, ILE471D, ILE51C, ILE51D, ILE52C, ILE52D, ILE558C, ILE89C, ILE89D, LEU44C, LEU44D, LEU451C, LEU451D, LEU457C, LEU457D, LEU45C, LEU45D, LEU491C, LEU491D, LEU555C, LEU78C, LEU78D, LEU88C, LEU88D, LYS110D, LYS114C, LYS114D, LYS116C, LYS36C, LYS36D, LYS39C, LYS39D, LYS486D, LYS487C, LYS487D, LYS502C, LYS502D, MET122C, MET122D, MET127C, MET127D, MET394C, MET394D, MET422C, MET422D, MET455C, MET455D, MET479C, MET479D, MET499C, MET499D, MET92C, MET92D, PHE128C, PHE128D, PHE41C, PHE41D, PHE450C, PHE450D, PHE496C, PHE496D, PHE501C, PHE501D, PHE508C, PHE508D, PHE62C, PHE62D, PRO130C, PRO130D, PRO285D, PRO33C, PRO33D, PRO498C, PRO498D, PRO53C, PRO53D, PRO83C, PRO83D, SER121D, SER129C, SER129D, SER43C, SER43D, SER453C, SER453D, SER454C, SER454D, SER47C, SER47D, SER492C, SER492D, SER507C, SER507D, SER81C, SER81D, SER86C, SER86D, SER97C, SER97D, THR124C, THR124D, THR132C, THR421C, THR421D, THR459C, THR459D, THR80C, THR80D, THR90C, THR90D, THR94C, THR94D, TYR309D, TYR477C, TYR477D, TYR488C, TYR488D, TYR504C, TYR504D, VAL109C, VAL109D, VAL125C, VAL125D, VAL131C, VAL131D, VAL172C, VAL172D, VAL18C, VAL18D, VAL286C, VAL286D, VAL40C, VAL40D, VAL424C, VAL424D, VAL461C, VAL461D, VAL473C, VAL480C, VAL480D, VAL494C, VAL494D, VAL54C, VAL54D