1YL7

the crystal structure of mycobacterium tuberculosis dihydrodipicolinate reductase (rv2773c) in complex with nadh (crystal form c)

• Total interactions analyzed: 28
• Total true interactions: 14
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 111
  • Norm. En. per Res.: -5.4386
• Hub Node: A(4)

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	-170.1427	-37.4351	-403.38	-610.9578	122	17	12	15214	2	37	37
A-C	0.0	5.8352	-12.3327	-6.4975	27	1	1	945	0	13	10
A-D	-157.7729	-8.0958	-530.444	-696.3128	133	25	17	19588	0	67	33
A-F	-7.0668	3.8645	-31.5585	-34.7607	24	1	0	1243	0	7	10
B-C	-157.1762	-6.8124	-531.399	-695.3877	133	26	19	19634	0	68	35
B-D	0.0	5.5868	-11.7681	-6.1814	26	1	0	859	0	15	9
B-F	-18.9036	2.0864	-70.4239	-87.2412	31	1	0	2620	0	9	9
C-D	-152.5738	-30.4815	-388.901	-571.9563	124	20	10	14965	2	38	40
E-F	-172.4191	-42.5575	-388.713	-603.6896	111	18	10	14196	2	33	32
E-G	0.0	6.5347	-11.8665	-5.3318	26	1	2	1035	0	18	10
E-H	-140.3259	-8.3968	-522.722	-671.4447	133	25	17	19517	0	67	35
F-G	-151.8979	-7.8729	-522.483	-682.2538	134	25	18	19364	0	65	35
F-H	0.0	0.0	-8.2527	-8.2527	20	1	0	620	0	11	7
G-H	-168.254	-38.2844	-402.743	-609.2814	119	22	10	14874	2	38	37

Interface residues

• A-B: ALA106A, ALA106B, ALA109A, ALA109B, ALA116A, ALA116B, ALA119A, ALA119B, ALA120A, ALA120B, ALA192A, ALA192B, ARG121A, ARG121B, ARG18A, ARG18B, ARG208A, ARG208B, ARG214A, ARG214B, ARG227A, ARG227B, ASN104A, ASN104B, ASP124A, ASP124B, ASP210A, ASP210B, ASP213A, ASP213B, ASP243A, ASP243B, GLN118A, GLN118B, GLN194A, GLN194B, GLU195A, GLU195B, GLU201A, GLU201B, GLU203A, GLU203B, GLU239A, GLU239B, GLY108A, GLY108B, GLY199A, GLY199B, GLY202A, GLY202B, GLY220A, GLY220B, HIS114A, HIS114B, HIS193A, HIS193B, HIS209A, HIS209B, HIS245A, ILE107A, ILE107B, ILE207A, ILE207B, LEU111A, LEU111B, LEU197A, LEU197B, LEU205A, LEU205B, LEU212A, LEU212B, LEU223A, LEU223B, LEU238A, LEU238B, LEU241A, LEU241B, LEU242A, LEU242B, LEU244A, LEU244B, LYS117A, LYS117B, MET113A, MET113B, PHE105A, PHE105B, PHE115A, PHE115B, PHE122A, PHE122B, PHE123A, PHE123B, PHE198A, PHE198B, PHE217A, PHE217B, PRO219A, PRO219B, SER112A, SER112B, SER211A, SER211B, SER216A, SER216B, THR15A, THR200A, THR200B, THR204A, THR204B, THR206A, THR206B, THR215A, THR215B, VAL110A, VAL110B, VAL191A, VAL191B, VAL196A, VAL196B, VAL218A, VAL218B
• A-C: ALA188A, ALA188C, ALA192A, ALA192C, ARG208A, ARG208C, ASP210A, ASP210C, ASP213A, ASP213C, GLY189A, GLY189C, HIS133A, HIS193A, HIS193C, LEU187C, LEU190A, LEU190C, LEU212A, LEU212C, SER211A, SER211C, SER216A, THR215A, THR215C, VAL191A, VAL191C
• A-D: ALA126A, ALA126D, ALA137A, ALA137D, ALA139A, ALA139D, ALA144A, ALA144D, ALA145A, ALA145D, ALA148A, ALA148D, ALA164A, ALA164D, ALA172A, ALA172D, ALA175A, ALA175D, ALA184A, ALA184D, ALA188A, ALA188D, ARG155A, ARG155D, ARG173A, ARG173D, ARG186A, ARG186D, ARG208A, ARG208D, ASN161A, ASN161D, ASP124A, ASP124D, ASP138A, ASP138D, ASP163A, ASP163D, ASP176A, ASP176D, ASP178A, ASP178D, GLU127A, GLU127D, GLU130A, GLU130D, GLU195A, GLU195D, GLU201A, GLU201D, GLU203A, GLU203D, GLY171A, GLY171D, GLY174A, GLY174D, GLY189A, GLY189D, GLY199A, GLY199D, GLY202A, GLY202D, HIS132A, HIS132D, HIS133A, HIS133D, HIS135A, HIS135D, HIS183A, HIS183D, HIS193A, HIS193D, ILE129A, ILE129D, LEU131A, LEU131D, LEU169A, LEU169D, LEU187A, LEU187D, LEU190A, LEU190D, LEU197A, LEU197D, LEU205A, LEU205D, LYS136A, LYS136D, LYS149A, PHE123A, PHE123D, PHE198A, PHE198D, PRO134A, PRO134D, PRO140A, PRO140D, PRO162A, PRO162D, PRO170A, PRO170D, PRO181A, PRO181D, SER125A, SER125D, SER141A, SER141D, SER166A, SER166D, SER168A, SER168D, THR165A, THR165D, THR167A, THR167D, THR200A, THR200D, THR204A, THR204D, THR206A, THR206D, VAL128A, VAL128D, VAL177A, VAL177D, VAL182A, VAL182D, VAL185A, VAL185D, VAL191A, VAL191D, VAL196A, VAL196D
• A-F: ALA224A, ALA229A, ALA93F, ARG226A, ARG227A, ASP243A, ASP24A, ASP25A, GLN85F, GLN86F, GLU230A, GLU88F, LEU222A, LEU223A, LEU241A, LEU26A, LEU91F, LYS94F, PRO232F, PRO95F, SER89F, TRP90F, VAL225A, VAL92F
• B-C: ALA126B, ALA126C, ALA137B, ALA137C, ALA139B, ALA139C, ALA144C, ALA145B, ALA145C, ALA148B, ALA148C, ALA164B, ALA164C, ALA172B, ALA172C, ALA175B, ALA175C, ALA184B, ALA184C, ALA188B, ALA188C, ARG155B, ARG155C, ARG173B, ARG173C, ARG186B, ARG186C, ARG208B, ARG208C, ASN161B, ASN161C, ASP124B, ASP124C, ASP138B, ASP138C, ASP163B, ASP163C, ASP176B, ASP176C, ASP178B, ASP178C, GLU127B, GLU127C, GLU130B, GLU130C, GLU195B, GLU195C, GLU201B, GLU201C, GLU203B, GLU203C, GLY171B, GLY171C, GLY174B, GLY174C, GLY189B, GLY189C, GLY199B, GLY199C, GLY202B, GLY202C, HIS132B, HIS132C, HIS133B, HIS133C, HIS135B, HIS135C, HIS183B, HIS183C, HIS193B, HIS193C, ILE129B, ILE129C, ILE180C, LEU131B, LEU131C, LEU169B, LEU169C, LEU187B, LEU187C, LEU190B, LEU190C, LEU197B, LEU197C, LEU205B, LEU205C, LYS136B, LYS136C, LYS149C, PHE123B, PHE123C, PHE198B, PHE198C, PRO134B, PRO134C, PRO140B, PRO140C, PRO162B, PRO162C, PRO170B, PRO170C, PRO181B, PRO181C, SER125B, SER125C, SER141B, SER141C, SER166B, SER166C, SER168B, SER168C, THR165B, THR165C, THR167B, THR167C, THR200B, THR200C, THR204B, THR204C, THR206B, THR206C, VAL128B, VAL128C, VAL177B, VAL177C, VAL182B, VAL182C, VAL185B, VAL185C, VAL191B, VAL191C, VAL196B, VAL196C
• B-D: ALA188B, ALA188D, ALA192B, ARG208B, ARG208D, ASP210B, ASP210D, ASP213B, ASP213D, GLY189B, GLY189D, HIS133B, HIS193B, HIS193D, LEU187D, LEU190B, LEU190D, LEU212B, LEU212D, SER211B, SER211D, SER216D, THR215B, THR215D, VAL191B, VAL191D
• B-F: ALA152B, ALA154B, ALA93F, ARG121B, ARG155B, ASN45F, ASN68F, ASN96F, ASP67F, GLU153B, GLY157B, GLY69F, HIS71F, ILE66F, ILE70F, LEU158B, LEU65F, LEU91F, LYS156B, LYS94F, PHE122B, PHE64F, PRO159B, PRO160B, PRO232F, PRO95F, SER98F, THR42F, THR46F, THR97F, VAL92F
• C-D: ALA106C, ALA106D, ALA109C, ALA109D, ALA116C, ALA116D, ALA119C, ALA119D, ALA120C, ALA120D, ALA192C, ALA192D, ALA19D, ARG121C, ARG121D, ARG18C, ARG18D, ARG208C, ARG208D, ARG214C, ARG214D, ARG227C, ARG227D, ASN104C, ASN104D, ASP124C, ASP124D, ASP210C, ASP210D, ASP213C, ASP213D, ASP243C, ASP243D, GLN118C, GLN118D, GLN194C, GLN194D, GLU195C, GLU195D, GLU201C, GLU201D, GLU203C, GLU203D, GLU239C, GLU239D, GLY108C, GLY108D, GLY199C, GLY199D, GLY202C, GLY202D, GLY220C, GLY220D, HIS114C, HIS114D, HIS193C, HIS193D, HIS209C, HIS209D, HIS245C, HIS245D, ILE107C, ILE107D, ILE207C, ILE207D, LEU111C, LEU111D, LEU197C, LEU197D, LEU205C, LEU205D, LEU212C, LEU212D, LEU223C, LEU223D, LEU238C, LEU238D, LEU241C, LEU241D, LEU242C, LEU242D, LEU244C, LEU244D, LYS117C, LYS117D, MET113C, MET113D, PHE105C, PHE105D, PHE115C, PHE115D, PHE122C, PHE122D, PHE123C, PHE123D, PHE198C, PHE198D, PHE217C, PHE217D, PRO219C, PRO219D, PRO240C, SER112C, SER112D, SER211C, SER211D, SER216C, SER216D, THR15D, THR200C, THR200D, THR204C, THR204D, THR206C, THR206D, THR215C, THR215D, VAL110C, VAL110D, VAL191D, VAL196C, VAL196D, VAL218C, VAL218D
• E-F: ALA106E, ALA106F, ALA109E, ALA109F, ALA116E, ALA116F, ALA119E, ALA119F, ALA120E, ALA120F, ALA192E, ALA192F, ARG121E, ARG121F, ARG208E, ARG208F, ARG214E, ARG214F, ARG227E, ARG227F, ASN104E, ASP210E, ASP210F, ASP213E, ASP213F, ASP243E, ASP243F, GLN118E, GLN118F, GLN194E, GLN194F, GLU195E, GLU195F, GLU201E, GLU201F, GLU203E, GLU203F, GLU239F, GLY108E, GLY108F, GLY199E, GLY199F, GLY202E, GLY202F, GLY220E, GLY220F, HIS114E, HIS114F, HIS193E, HIS193F, HIS209E, HIS209F, ILE107E, ILE107F, ILE207E, ILE207F, LEU111E, LEU111F, LEU197E, LEU197F, LEU205E, LEU205F, LEU212E, LEU212F, LEU223E, LEU223F, LEU241E, LEU241F, LEU242E, LEU242F, LEU244E, LEU244F, LYS117E, LYS117F, MET113E, MET113F, PHE105E, PHE105F, PHE115E, PHE115F, PHE122E, PHE122F, PHE123E, PHE123F, PHE198E, PHE198F, PHE217E, PHE217F, PRO219E, PRO219F, SER112E, SER112F, SER211E, SER211F, SER216E, SER216F, THR200E, THR200F, THR204E, THR204F, THR206E, THR206F, THR215E, THR215F, VAL110E, VAL110F, VAL191E, VAL191F, VAL196E, VAL196F, VAL218E
• E-G: ALA188E, ALA188G, ALA192G, ARG208E, ARG208G, ASP210E, ASP210G, ASP213E, ASP213G, GLY189E, GLY189G, HIS133G, HIS193E, HIS193G, LEU187E, LEU190E, LEU190G, LEU212E, LEU212G, SER211E, SER211G, SER216E, THR215E, THR215G, VAL191E, VAL191G
• E-H: ALA126E, ALA126H, ALA137E, ALA137H, ALA139E, ALA139H, ALA144H, ALA145E, ALA145H, ALA148E, ALA148H, ALA164E, ALA164H, ALA172E, ALA172H, ALA175E, ALA175H, ALA184E, ALA184H, ALA188E, ALA188H, ARG155E, ARG155H, ARG173E, ARG173H, ARG186E, ARG186H, ARG208E, ARG208H, ASN161E, ASN161H, ASP124E, ASP124H, ASP138E, ASP138H, ASP163E, ASP163H, ASP176E, ASP176H, ASP178E, ASP178H, GLU127E, GLU127H, GLU130E, GLU130H, GLU195E, GLU195H, GLU201E, GLU201H, GLU203E, GLU203H, GLY171E, GLY171H, GLY174E, GLY174H, GLY189E, GLY189H, GLY199E, GLY199H, GLY202E, GLY202H, HIS132E, HIS132H, HIS133E, HIS133H, HIS135E, HIS135H, HIS183E, HIS183H, HIS193E, HIS193H, ILE129E, ILE129H, LEU131E, LEU131H, LEU169E, LEU169H, LEU187E, LEU187H, LEU190E, LEU190H, LEU197E, LEU197H, LEU205E, LEU205H, LYS136E, LYS136H, LYS149E, LYS149H, PHE123E, PHE123H, PHE198E, PHE198H, PRO134E, PRO134H, PRO140E, PRO140H, PRO162E, PRO162H, PRO170E, PRO170H, PRO181E, PRO181H, SER125E, SER125H, SER141E, SER141H, SER166E, SER166H, SER168E, SER168H, THR165E, THR165H, THR167E, THR167H, THR200E, THR200H, THR204E, THR204H, THR206E, THR206H, VAL128E, VAL128H, VAL177E, VAL177H, VAL182E, VAL182H, VAL185E, VAL185H, VAL191E, VAL191H, VAL196E, VAL196H
• F-G: ALA126F, ALA126G, ALA137F, ALA137G, ALA139F, ALA139G, ALA144F, ALA144G, ALA145F, ALA145G, ALA148G, ALA164F, ALA164G, ALA172F, ALA172G, ALA175F, ALA175G, ALA184F, ALA184G, ALA188F, ALA188G, ARG155F, ARG155G, ARG173F, ARG173G, ARG186F, ARG186G, ARG208F, ARG208G, ASN161F, ASN161G, ASP124F, ASP124G, ASP138F, ASP138G, ASP163F, ASP163G, ASP176F, ASP176G, ASP178F, ASP178G, GLU127F, GLU127G, GLU130F, GLU130G, GLU195F, GLU195G, GLU201F, GLU201G, GLU203F, GLU203G, GLY142G, GLY171F, GLY171G, GLY174F, GLY174G, GLY189F, GLY189G, GLY199F, GLY199G, GLY202F, GLY202G, HIS132F, HIS132G, HIS133F, HIS133G, HIS135F, HIS135G, HIS183F, HIS183G, HIS193F, HIS193G, ILE129F, ILE129G, ILE180F, LEU131F, LEU131G, LEU169F, LEU169G, LEU187F, LEU187G, LEU190F, LEU190G, LEU197F, LEU197G, LEU205F, LEU205G, LYS136F, LYS136G, LYS149F, PHE123F, PHE123G, PHE198F, PHE198G, PRO134F, PRO134G, PRO140F, PRO140G, PRO162F, PRO162G, PRO170F, PRO170G, PRO181F, PRO181G, SER125F, SER125G, SER141F, SER141G, SER166F, SER166G, SER168F, SER168G, THR165F, THR165G, THR167F, THR167G, THR200F, THR200G, THR204F, THR204G, THR206F, THR206G, VAL128F, VAL128G, VAL177F, VAL177G, VAL182F, VAL182G, VAL185F, VAL185G, VAL191F, VAL191G, VAL196F, VAL196G
• F-H: ALA188F, ALA188H, ARG208F, ARG208H, ASP210F, ASP210H, ASP213H, GLY189F, GLY189H, HIS193F, HIS193H, LEU187F, LEU187H, LEU190F, LEU190H, LEU212F, LEU212H, THR215H, VAL191F, VAL191H
• G-H: ALA106G, ALA106H, ALA109G, ALA109H, ALA116G, ALA116H, ALA119G, ALA119H, ALA120G, ALA120H, ALA192G, ALA192H, ARG121G, ARG121H, ARG208G, ARG208H, ARG214G, ARG214H, ARG227G, ARG227H, ASN104G, ASN104H, ASP124G, ASP124H, ASP210G, ASP210H, ASP213G, ASP213H, ASP243G, ASP243H, GLN118G, GLN118H, GLN194G, GLN194H, GLU195G, GLU195H, GLU201G, GLU201H, GLU203G, GLU203H, GLU239H, GLY108G, GLY108H, GLY199G, GLY199H, GLY202G, GLY202H, GLY220G, GLY220H, HIS114G, HIS114H, HIS193G, HIS193H, HIS209G, HIS209H, HIS245H, ILE107G, ILE107H, ILE207G, ILE207H, LEU111G, LEU111H, LEU197G, LEU197H, LEU205G, LEU205H, LEU212G, LEU212H, LEU223G, LEU223H, LEU238G, LEU238H, LEU241G, LEU241H, LEU242G, LEU242H, LEU244G, LEU244H, LYS117G, LYS117H, MET113G, MET113H, PHE105G, PHE105H, PHE115G, PHE115H, PHE122G, PHE122H, PHE123G, PHE123H, PHE198G, PHE198H, PHE217G, PHE217H, PRO219G, PRO219H, SER112G, SER112H, SER211G, SER211H, SER216G, SER216H, THR15G, THR200G, THR200H, THR204G, THR204H, THR206G, THR206H, THR215G, THR215H, VAL110G, VAL110H, VAL191G, VAL191H, VAL196G, VAL196H, VAL218G, VAL218H