3AOE

crystal structure of hetero-hexameric glutamate dehydrogenase from thermus thermophilus (leu bound form)

• Total interactions analyzed: 15
• Total true interactions: 15
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 135
  • Norm. En. per Res.: -3.6318
• Hub Node: A(5)

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	-112.041	-138.3859	-187.372	-437.7989	180	55	10	19386	7	55	38
A-E	-27.5708	-49.5727	-238.921	-316.0644	102	8	7	9360	2	20	20
A-F	0.0	0.0	-8.6751	-8.6751	32	0	0	773	0	11	13
A-C	-34.9097	-29.6671	-230.173	-294.7497	98	6	6	9289	2	16	14
A-D	0.0	0.0	-8.7691	-8.7691	4	0	0	350	0	0	0
B-E	0.0	0.0	-9.2861	-9.2861	4	0	0	350	0	0	0
B-F	-33.0723	-51.4219	-258.774	-343.2682	104	4	6	9858	2	18	15
B-C	0.0	0.0	-9.004	-9.004	34	0	0	800	0	9	12
B-D	-22.533	-40.3866	-242.355	-305.2746	104	7	7	9569	2	21	23
E-F	-81.9246	-81.5326	-299.496	-462.9532	136	22	5	14408	4	22	37
E-C	-20.8576	-24.857	-218.663	-264.3776	103	8	6	9203	1	19	19
E-D	0.0	0.0	-8.6555	-8.6555	36	0	0	776	0	4	9
F-C	0.0	0.0	-10.3899	-10.3899	4	1	0	341	0	0	0
F-D	-23.8288	-27.2896	-234.32	-285.4384	103	7	6	9879	1	21	19
C-D	-102.1391	-81.0639	-307.085	-490.288	135	16	6	14075	3	22	37

Interface residues

• A-B: ALA34A, ALA37A, ALA37B, ALA405A, ALA409A, ALA410A, ALA61A, ALA61B, ARG118A, ARG118B, ARG131A, ARG131B, ARG134A, ARG134B, ARG135A, ARG135B, ARG148A, ARG148B, ARG25A, ARG412A, ARG417A, ARG417B, ARG420A, ARG420B, ARG42A, ARG42B, ARG45A, ARG45B, ARG54A, ARG54B, ARG67A, ARG67B, ASN172A, ASN172B, ASP120A, ASP12A, ASP24A, ASP50A, ASP50B, ASP57A, GLN22A, GLU128A, GLU139A, GLU139B, GLU38A, GLU38B, GLU4A, GLU4B, GLU64A, GLU64B, GLU86A, GLU86B, GLY10A, GLY10B, GLY141A, GLY141B, GLY421A, GLY421B, GLY58A, GLY58B, GLY65A, GLY65B, HIS69A, HIS69B, HIS70A, HIS70B, ILE101A, ILE140A, ILE140B, ILE142A, ILE142B, ILE48A, ILE48B, LEU124A, LEU132A, LEU143A, LEU143B, LEU30A, LEU33A, LEU36A, LEU36B, LEU40A, LEU40B, LEU414A, LEU422A, LEU422B, LEU47A, LEU47B, LEU55A, LEU55B, LEU6A, LEU6B, LEU89A, LEU89B, LEU9A, LEU9B, LYS123A, LYS2B, LYS41A, LYS41B, LYS44A, LYS44B, MET171A, MET171B, MET1B, MET93A, MET93B, PHE3B, PHE63A, PHE63B, PRO121A, PRO28A, PRO35A, PRO35B, PRO424A, PRO424B, PRO43A, PRO43B, PRO52A, PRO52B, PRO5A, PRO5B, PRO85A, PRO85B, SER138A, SER138B, SER39A, SER39B, SER3A, SER3B, SER59A, SER59B, SER7A, SER7B, SER90A, SER90B, THR137A, THR137B, THR168A, THR168B, THR403A, THR411A, THR72A, THR72B, THR88A, THR88B, TYR136A, TYR136B, TYR29A, TYR406A, TYR423A, TYR423B, TYR62A, TYR62B, TYR66A, TYR66B, TYR8A, TYR8B, VAL119A, VAL119B, VAL23A, VAL26A, VAL27A, VAL407A, VAL408A, VAL413A, VAL46A, VAL46B, VAL49A, VAL49B, VAL51A, VAL51B, VAL53A, VAL53B, VAL60A, VAL60B, VAL68A, VAL68B, VAL87A, VAL87B
• A-E: ALA163A, ALA187A, ALA411E, ALA72E, ALA76E, ARG131A, ARG134A, ARG135A, ARG160A, ARG175A, ARG373E, ARG377E, ARG378A, ARG380E, ARG407E, ARG413E, ARG415E, ARG44E, ARG73E, ASN172A, ASN361E, ASN366A, ASP106E, ASP146E, ASP148E, ASP167A, ASP359E, ASP364A, ASP409E, GLN358E, GLN363A, GLU130A, GLU159A, GLU369E, GLU372A, GLU373A, GLU374A, GLU406E, GLU410E, GLY110E, GLY141E, GLY144E, GLY174A, GLY189A, GLY416E, GLY74E, ILE143E, ILE149E, ILE186A, ILE71E, LEU107E, LEU142E, LEU188A, LEU192A, LEU350E, LEU354E, LEU360E, LEU408E, LEU414E, LYS184A, LYS43E, MET162A, MET165A, MET166A, MET171A, MET362E, PHE109E, PHE363E, PHE365A, PHE369A, PRO108E, PRO145E, PRO146A, PRO178A, PRO185A, PRO419E, PRO75E, SER138A, SER147E, SER170A, SER367A, THR137A, THR168A, THR176A, THR371A, THR376E, THR412E, TRP164A, TRP356E, TRP365E, TRP370A, TYR168E, TYR169A, TYR353E, TYR368A, TYR38E, TYR418E, VAL173A, VAL177A, VAL357E, VAL362A, VAL417E
• A-F: ALA137F, ARG130F, ARG131A, ARG133F, ARG134A, ARG134F, ARG135A, ARG54A, ASN172A, ASP166F, ASP167A, GLN126F, GLU129F, GLU130A, GLU138F, GLU139A, GLY141F, GLY173F, GLY174A, GLY58A, ILE142A, MET170F, MET171A, PRO51F, PRO52A, SER138A, THR171F, TRP163F, VAL140F, VAL172F, VAL173A, VAL53F
• A-C: ALA137C, ALA162C, ALA186C, ALA416A, ALA418A, ALA73A, ALA77A, ARG130C, ARG133C, ARG134C, ARG148A, ARG373C, ARG378A, ARG381A, ARG412A, ARG417A, ARG420A, ARG45A, ARG74A, ASN361C, ASN366A, ASN385A, ASP147A, ASP149A, ASP166C, ASP359C, ASP364A, GLN158C, GLN159C, GLN358C, GLN363A, GLU129C, GLU191C, GLU368C, GLU369C, GLU374A, GLU415A, GLY107A, GLY111A, GLY145A, GLY173C, GLY188C, GLY421A, GLY75A, HIS185C, ILE142A, ILE150A, ILE164C, LEU108A, LEU143A, LEU144A, LEU187C, LEU360C, LEU419A, LEU422A, LYS183C, LYS44A, MET161C, MET165C, MET170C, MET362C, PHE359A, PHE363C, PHE364C, PHE365A, PRO109A, PRO146A, PRO177C, PRO184C, PRO367C, PRO424A, PRO76A, SER169C, SER174C, SER366C, THR136C, THR167C, THR171C, THR175C, THR355A, THR72A, TRP163C, TRP361A, TRP365C, TRP370A, TYR110A, TYR168C, TYR358A, TYR368A, TYR423A, VAL140C, VAL160C, VAL172C, VAL176C, VAL362A, VAL370C, VAL382A, VAL413A
• A-D: PRO419D, PRO424A, TYR418D, TYR423A
• B-E: PRO419E, PRO424B, TYR418E, TYR423B
• B-F: ALA137F, ALA162F, ALA186F, ALA377B, ALA416B, ALA418B, ALA73B, ALA77B, ARG130F, ARG133F, ARG134F, ARG148B, ARG373F, ARG378B, ARG381B, ARG412B, ARG417B, ARG420B, ARG45B, ARG74B, ASN361F, ASN366B, ASN385B, ASP147B, ASP149B, ASP166F, ASP359F, ASP364B, GLN158F, GLN159F, GLN358F, GLN363B, GLU129F, GLU138F, GLU191F, GLU368F, GLU369F, GLU374B, GLU415B, GLY107B, GLY111B, GLY145B, GLY173F, GLY188F, GLY189F, GLY421B, GLY75B, HIS185F, ILE142B, ILE150B, ILE164F, LEU108B, LEU143B, LEU144B, LEU187F, LEU360F, LEU379B, LEU419B, LEU422B, LYS183F, LYS44B, MET161F, MET165F, MET170F, MET362F, PHE359B, PHE363F, PHE364F, PHE365B, PRO109B, PRO145F, PRO146B, PRO177F, PRO184F, PRO367F, PRO424B, PRO76B, SER169F, SER174F, SER366F, THR136F, THR167F, THR171F, THR175F, THR355B, THR411B, THR72B, TRP163F, TRP361B, TRP365F, TRP370B, TYR110B, TYR168F, TYR358B, TYR368B, TYR423B, VAL140F, VAL160F, VAL172F, VAL176F, VAL362B, VAL370F, VAL382B, VAL413B
• B-C: ALA137C, ARG130C, ARG131B, ARG133C, ARG134B, ARG134C, ARG135B, ARG54B, ASN172B, ASP166C, ASP167B, ASP56B, GLN126C, GLU129C, GLU130B, GLU138C, GLU139B, GLY141C, GLY173C, GLY174B, GLY58B, ILE142B, LEU55B, MET170C, MET171B, PRO51C, PRO52B, SER138B, THR171C, TRP163C, VAL140C, VAL172C, VAL173B, VAL53C
• B-D: ALA163B, ALA187B, ALA411D, ALA72D, ALA76D, ARG131B, ARG134B, ARG135B, ARG160B, ARG175B, ARG373D, ARG377D, ARG378B, ARG380D, ARG407D, ARG413D, ARG415D, ARG44D, ARG73D, ASN172B, ASN361D, ASN366B, ASP106D, ASP146D, ASP148D, ASP167B, ASP359D, ASP364B, ASP409D, GLN358D, GLN363B, GLU130B, GLU159B, GLU161B, GLU369D, GLU372B, GLU373B, GLU374B, GLU406D, GLU410D, GLY110D, GLY141D, GLY144D, GLY174B, GLY189B, GLY416D, GLY74D, ILE143D, ILE149D, ILE186B, ILE71D, LEU107D, LEU142D, LEU188B, LEU192B, LEU350D, LEU354D, LEU360D, LEU408D, LEU414D, LYS184B, LYS43D, MET162B, MET165B, MET166B, MET171B, MET362D, PHE109D, PHE363D, PHE365B, PHE369B, PRO108D, PRO145D, PRO146B, PRO178B, PRO185B, PRO419D, PRO75D, SER138B, SER147D, SER170B, SER367B, THR137B, THR168B, THR176B, THR371B, THR376D, THR412D, TRP164B, TRP356D, TRP365D, TRP370B, TYR168D, TYR169B, TYR353D, TYR368B, TYR38D, TYR418D, VAL173B, VAL177B, VAL357D, VAL362B, VAL370D, VAL417D
• E-F: ALA137E, ALA137F, ALA40E, ALA40F, ALA5E, ALA5F, ARG130E, ARG130F, ARG133E, ARG133F, ARG134E, ARG134F, ARG415E, ARG44E, ARG44F, ARG60E, ARG60F, ARG66E, ARG66F, ARG7E, ARG7F, ASP11E, ASP11F, GLN63E, GLN63F, GLU10E, GLU10F, GLU138E, GLU138F, GLU37E, GLU37F, GLY141E, GLY141F, GLY416E, GLY416F, GLY57E, GLY57F, GLY64E, GLY64F, GLY89E, GLY89F, HIS32E, HIS41E, HIS41F, HIS69E, HIS69F, ILE61E, ILE61F, ILE71E, ILE71F, LEU139E, LEU139F, LEU142E, LEU142F, LEU36E, LEU36F, LEU39E, LEU39F, LEU3F, LEU45E, LEU45F, LEU48E, LEU48F, LEU50E, LEU50F, LEU88E, LEU88F, LYS43E, LYS43F, LYS4E, LYS4F, LYS58E, LYS58F, MET170E, MET170F, MET54E, MET54F, PHE62E, PHE62F, PRO33E, PRO33F, PRO419E, PRO419F, PRO42E, PRO42F, PRO51E, PRO51F, PRO8E, PRO8F, PRO9E, PRO9F, SER49E, SER49F, THR136E, THR136F, THR167E, THR167F, THR171E, THR171F, THR34E, THR34F, THR35E, THR35F, THR412E, THR412F, THR47E, THR47F, THR87E, THR87F, TRP15E, TYR135E, TYR135F, TYR38E, TYR38F, TYR418E, TYR418F, TYR65E, TYR65F, TYR6E, TYR6F, VAL140E, VAL140F, VAL417E, VAL417F, VAL46E, VAL46F, VAL52E, VAL52F, VAL53E, VAL53F, VAL59E, VAL59F, VAL67E, VAL67F, VAL68E, VAL68F
• E-C: ALA137E, ALA162E, ALA186E, ALA411C, ALA72C, ALA76C, ARG130E, ARG133E, ARG134E, ARG373C, ARG373E, ARG377C, ARG380C, ARG407C, ARG413C, ARG415C, ARG44C, ARG73C, ASN361C, ASN361E, ASP106C, ASP146C, ASP148C, ASP166E, ASP359E, ASP409C, GLN158E, GLN159E, GLN358C, GLN358E, GLU129E, GLU138E, GLU191E, GLU368E, GLU369E, GLU406C, GLU410C, GLY110C, GLY141C, GLY144C, GLY173E, GLY188E, GLY416C, GLY74C, HIS185E, ILE143C, ILE149C, ILE164E, ILE71C, LEU107C, LEU142C, LEU187E, LEU350C, LEU354C, LEU360C, LEU360E, LEU408C, LEU414C, LYS183E, LYS43C, MET161E, MET165E, MET170E, MET362C, MET362E, PHE109C, PHE363C, PHE363E, PHE364E, PRO108C, PRO125E, PRO145C, PRO145E, PRO177E, PRO184E, PRO367E, PRO419C, PRO75C, SER147C, SER169E, SER174E, SER366E, THR136E, THR167E, THR171E, THR175E, THR376C, THR412C, TRP163E, TRP356C, TRP365C, TRP365E, TYR168E, TYR353C, TYR38C, TYR418C, VAL140E, VAL160E, VAL172E, VAL176E, VAL357C, VAL357E, VAL417C
• E-D: ALA137D, ALA137E, ARG130D, ARG130E, ARG133D, ARG133E, ARG134D, ARG134E, ASP166D, ASP166E, ASP55E, GLN126D, GLN126E, GLU129D, GLU129E, GLU138D, GLU138E, GLY141D, GLY141E, GLY173D, GLY173E, GLY57D, GLY57E, MET170D, MET170E, MET54E, PRO51D, PRO51E, THR171D, THR171E, VAL140D, VAL140E, VAL172D, VAL172E, VAL53D, VAL53E
• F-C: PRO419C, PRO419F, TYR418C, TYR418F
• F-D: ALA137D, ALA162D, ALA186D, ALA411F, ALA72F, ALA76F, ARG130D, ARG133D, ARG134D, ARG373D, ARG373F, ARG377F, ARG380F, ARG407F, ARG413F, ARG415F, ARG44F, ARG73F, ASN361D, ASN361F, ASP106F, ASP146F, ASP148F, ASP166D, ASP359D, ASP359F, ASP409F, GLN158D, GLN159D, GLN358D, GLN358F, GLU129D, GLU138D, GLU191D, GLU368D, GLU369D, GLU406F, GLU410F, GLY110F, GLY141F, GLY144F, GLY173D, GLY188D, GLY189D, GLY416F, GLY74F, HIS185D, ILE149F, ILE164D, ILE71F, LEU107F, LEU142F, LEU187D, LEU350F, LEU354F, LEU360D, LEU360F, LEU408F, LEU414F, LYS183D, LYS43F, MET161D, MET165D, MET170D, MET362D, MET362F, PHE109F, PHE363D, PHE363F, PHE364D, PRO108F, PRO145D, PRO145F, PRO177D, PRO184D, PRO367D, PRO419F, PRO75F, SER147F, SER169D, SER174D, SER366D, THR136D, THR167D, THR171D, THR175D, THR376F, THR412F, TRP163D, TRP356F, TRP365D, TRP365F, TYR168D, TYR353F, TYR38F, TYR418F, VAL140D, VAL160D, VAL172D, VAL176D, VAL357D, VAL357F, VAL417F
• C-D: ALA137C, ALA137D, ALA40C, ALA40D, ALA5C, ALA5D, ARG130C, ARG130D, ARG133C, ARG133D, ARG134C, ARG134D, ARG415C, ARG415D, ARG44C, ARG44D, ARG60C, ARG60D, ARG66C, ARG66D, ARG7C, ARG7D, ASP11C, ASP11D, GLN63C, GLN63D, GLU10C, GLU10D, GLU138C, GLU138D, GLU37C, GLU37D, GLY141C, GLY141D, GLY416C, GLY416D, GLY57C, GLY57D, GLY64C, GLY64D, GLY89C, GLY89D, HIS41C, HIS41D, HIS69C, HIS69D, ILE61C, ILE61D, ILE71C, ILE71D, LEU139C, LEU139D, LEU142C, LEU142D, LEU36C, LEU36D, LEU39C, LEU39D, LEU45C, LEU45D, LEU48C, LEU48D, LEU50C, LEU50D, LEU88C, LEU88D, LYS43C, LYS43D, LYS4C, LYS4D, LYS58C, LYS58D, MET170C, MET170D, MET54C, MET54D, PHE62C, PHE62D, PRO33C, PRO33D, PRO419C, PRO419D, PRO42C, PRO42D, PRO51C, PRO51D, PRO8C, PRO8D, PRO9C, PRO9D, SER49C, SER49D, THR136C, THR136D, THR167C, THR167D, THR171C, THR171D, THR34C, THR34D, THR35C, THR35D, THR412C, THR412D, THR47C, THR47D, THR87C, THR87D, TRP15D, TYR135C, TYR135D, TYR38C, TYR38D, TYR418C, TYR418D, TYR65C, TYR65D, TYR6C, TYR6D, VAL140C, VAL140D, VAL417C, VAL417D, VAL46C, VAL46D, VAL52C, VAL52D, VAL53C, VAL53D, VAL59C, VAL59D, VAL67C, VAL67D, VAL68C, VAL68D