3RQC

crystal structure of the catalytic core of the 2-oxoacid dehydrogenase multienzyme complex from thermoplasma acidophilum

• Total interactions analyzed: 21
• Total true interactions: 8
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 123
  • Norm. En. per Res.: -4.054
• 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	-95.0977	-80.4702	-356.357	-531.9248	133	54	8	17008	8	50	57
A-C	-57.0118	-67.1889	-321.506	-445.7068	130	54	10	16126	6	49	55
A-G	-15.3023	-30.5153	-115.967	-161.7846	77	27	8	7124	2	22	23
B-C	-59.863	-64.2387	-386.934	-511.0357	140	36	12	17277	6	53	66
C-E	0.0	11.7058	-98.0089	-86.303	69	26	7	6258	1	16	9
D-E	-64.6341	-77.0036	-326.943	-468.5807	130	30	7	14707	6	45	51
D-F	-38.5279	-38.3984	-378.088	-455.0143	136	35	7	16282	7	46	62
E-F	-67.1806	-99.3873	-332.08	-498.6478	123	32	9	14818	8	40	51

Interface residues

• A-B: ALA201A, ALA203A, ALA25B, ALA79A, ALA99B, ARG134B, ARG15B, ARG16B, ARG177B, ARG181A, ARG181B, ARG196A, ARG205A, ARG5B, ARG85A, ARG86A, ASN107B, ASN152B, ASN166B, ASN78A, ASP101B, ASP104B, ASP145A, ASP194A, ASP199A, ASP209A, ASP20B, ASP39A, ASP82A, CYS193A, GLN27A, GLN27B, GLU10B, GLU180B, GLU182A, GLU182B, GLU215A, GLU36A, GLU37A, GLU37B, GLU6B, GLU7B, GLY105B, GLY13B, GLY154B, GLY157B, GLY158B, GLY174B, GLY200A, HIS12B, HIS176B, HIS195A, HIS31A, HIS31B, ILE156B, ILE159A, ILE159B, ILE164A, ILE164B, ILE172B, ILE17B, ILE18B, ILE198A, ILE207A, ILE28A, ILE80A, ILE89A, ILE8B, LEU106B, LEU14B, LEU179B, LEU189A, LEU191A, LEU197A, LEU90A, LEU9B, LYS211A, LYS212A, LYS21B, LYS24B, LYS26A, LYS26B, LYS91A, LYS92A, MET11B, MET160A, MET160B, MET187A, MET22B, MET29A, MET35A, MET35B, PHE19B, PHE206A, PHE32A, PRO103B, PRO163A, PRO163B, PRO30A, PRO30B, PRO75A, SER161B, SER190A, SER190B, SER192A, THR102B, THR147A, THR151B, THR155B, THR162A, THR162B, THR204A, THR23B, THR33A, THR33B, THR84A, TYR186A, TYR186B, TYR188A, TYR188B, TYR74A, TYR76A, TYR81A, TYR88A, TYR93A, VAL100B, VAL153B, VAL175B, VAL202A, VAL208A, VAL34A, VAL38A, VAL87A
• A-C: ALA201C, ALA203C, ALA25A, ALA79C, ALA99A, ARG134A, ARG15A, ARG16A, ARG177A, ARG181A, ARG181C, ARG196C, ARG205C, ARG85C, ARG86C, ASN107A, ASN152A, ASP101A, ASP104A, ASP194C, ASP199C, ASP209C, ASP20A, ASP39C, ASP82C, CB5.59060-15.02153, CYS193C, GLN27A, GLN27C, GLU10A, GLU180A, GLU182A, GLU182C, GLU215C, GLU36C, GLU37A, GLU37C, GLU6A, GLU6A5, GLU7A, GLY105A, GLY154A, GLY157A, GLY158A, GLY200C, HIS12A, HIS176A, HIS195C, HIS31A, HIS31C, ILE156A, ILE159A, ILE159C, ILE164A, ILE164C, ILE165A, ILE172A, ILE17A, ILE18A, ILE198C, ILE207C, ILE28C, ILE80C, ILE89C, ILE8A, LEU106A, LEU14A, LEU179A, LEU179C, LEU189C, LEU191C, LEU197C, LEU90C, LEU9A, LYS211C, LYS212C, LYS21A, LYS24A, LYS26A, LYS26C, LYS91C, LYS92C, MET11A, MET160A, MET160C, MET22A, MET29C, MET35A, MET35C, PHE19A, PHE206C, PHE32C, PRO103A, PRO163A, PRO163C, PRO30A, PRO30C, PRO75C, SER161A, SER190A, SER190C, SER192A, SER192C, THR102A, THR151A, THR155A, THR162A, THR162C, THR204C, THR23A, THR33A, THR33C, THR84C, TYR186A, TYR186C, TYR188A, TYR188C, TYR74C, TYR76C, TYR81C, TYR88C, TYR93C, VAL100A, VAL153A, VAL175A, VAL202C, VAL208C, VAL34C, VAL38C, VAL87C
• A-G: ALA114G, ALA219A, ALA219G, ALA50A, ALA50G, ALA52A, ALA52G, ARG116A, ARG116G, ARG53A, ARG53G, ARG55A, ARG65A, ARG65G, ASN218A, ASN218G, ASN54A, ASN54G, ASP113A, ASP113G, ASP115A, ASP115G, ASP216A, ASP216G, ASP48A, ASP48G, GLU121A, GLU121G, GLU215G, ILE122A, ILE220A, ILE220G, ILE221A, ILE221G, ILE46A, ILE46G, ILE66A, ILE66G, LEU47A, LEU47G, LYS117A, LYS117G, LYS212A, LYS212G, LYS51A, LYS51G, LYS56A, LYS56G, LYS72A, LYS72G, MET119A, MET119G, MET43A, MET43G, PHE62A, PHE62G, PRO217A, PRO217G, PRO68A, SER118A, SER118G, SER123G, SER42A, SER45A, SER45G, SER49A, SER49G, SER69A, SER69G, TYR222A, TYR222G, VAL120A, VAL120G, VAL213A, VAL213G, VAL57A, VAL57G
• B-C: ALA201B, ALA203B, ALA25B, ALA25C, ALA79B, ALA99C, ARG116B, ARG134C, ARG15C, ARG16C, ARG177C, ARG181B, ARG181C, ARG196B, ARG205B, ARG5C, ARG85B, ARG86B, ASN107C, ASN152C, ASN95B, ASP101C, ASP104C, ASP113B, ASP115B, ASP145B, ASP194B, ASP199B, ASP209B, ASP20C, ASP39B, ASP82B, CYS193B, GLN27B, GLN27C, GLU10C, GLU180C, GLU182B, GLU182C, GLU215B, GLU36B, GLU37B, GLU37C, GLU6C, GLU7C, GLY105C, GLY154C, GLY157C, GLY158C, GLY174C, GLY200B, GLY4C, HIS12C, HIS176C, HIS195B, HIS31B, HIS31C, ILE156C, ILE159C, ILE164B, ILE164C, ILE165B, ILE165C, ILE172C, ILE178C, ILE18C, ILE198B, ILE207B, ILE28B, ILE80B, ILE89B, ILE8C, LEU106C, LEU14C, LEU179C, LEU189B, LEU191B, LEU197B, LEU90B, LEU9C, LYS112B, LYS211B, LYS212B, LYS21C, LYS24C, LYS26B, LYS26C, LYS91B, LYS92B, MET11C, MET160B, MET160C, MET22C, MET29B, MET35B, MET35C, PHE19C, PHE206B, PHE32B, PRO103C, PRO163B, PRO163C, PRO30B, PRO3C, PRO75B, SER161B, SER161C, SER190B, SER190C, SER192B, THR102C, THR147B, THR151C, THR155C, THR162B, THR162C, THR204B, THR23B, THR23C, THR33B, THR33C, THR84B, TYR186B, TYR186C, TYR188B, TYR188C, TYR74B, TYR76B, TYR81B, TYR88B, TYR93B, TYR94B, VAL100C, VAL153C, VAL175C, VAL202B, VAL208B, VAL34B, VAL38B, VAL87B
• C-E: ALA219C, ALA219E, ALA50C, ALA50E, ALA52C, ALA52E, ARG116C, ARG116E, ARG53C, ARG53E, ARG55E, ARG65C, ARG65E, ASN218C, ASN218E, ASN54C, ASN54E, ASP216C, ASP216E, ASP48C, ASP48E, GLU121C, GLU121E, GLU215E, ILE122C, ILE122E, ILE220C, ILE220E, ILE221C, ILE221E, ILE46C, ILE46E, ILE66C, ILE66E, LEU47C, LEU47E, LYS117C, LYS117E, LYS212C, LYS212E, LYS51C, LYS51E, LYS56C, LYS56E, MET119C, MET119E, MET43C, MET43E, PHE62C, PHE62E, PRO217C, PRO217E, SER118C, SER118E, SER123C, SER42C, SER42E, SER45C, SER45E, SER49C, SER49E, TYR222C, TYR222E, VAL120C, VAL120E, VAL213E, VAL44C, VAL57C, VAL57E
• D-E: ALA201D, ALA203D, ALA25E, ALA79D, ALA99E, ARG134E, ARG15E, ARG16E, ARG177E, ARG181D, ARG181E, ARG184D, ARG196D, ARG205D, ARG85D, ARG86D, ASN107E, ASN152E, ASP101E, ASP104E, ASP194D, ASP199D, ASP209D, ASP20E, ASP39D, CYS193D, GLN27D, GLN27E, GLU10E, GLU180D, GLU180E, GLU182D, GLU182E, GLU215D, GLU36D, GLU37D, GLU37E, GLU6E, GLU7E, GLY105E, GLY154E, GLY157E, GLY158E, GLY174E, GLY183D, GLY200D, HIS12E, HIS176E, HIS195D, HIS31D, HIS31E, ILE156E, ILE159D, ILE159E, ILE164D, ILE164E, ILE165E, ILE172E, ILE17E, ILE18E, ILE198D, ILE207D, ILE28D, ILE80D, ILE89D, ILE8E, LEU106E, LEU14E, LEU179D, LEU179E, LEU189D, LEU191D, LEU197D, LEU90D, LEU9E, LYS211D, LYS212D, LYS21E, LYS24E, LYS26D, LYS26E, LYS91D, LYS92D, MET11E, MET160D, MET160E, MET22E, MET29D, MET35D, MET35E, PHE19E, PHE206D, PHE32D, PRO103E, PRO163D, PRO163E, PRO30D, PRO30E, PRO75D, SER161D, SER161E, SER190D, SER190E, SER192D, THR102E, THR147D, THR151E, THR155E, THR162D, THR162E, THR204D, THR23E, THR33D, THR33E, TYR186D, TYR188D, TYR188E, TYR74D, TYR76D, TYR81D, TYR88D, TYR93D, VAL100E, VAL153E, VAL175E, VAL202D, VAL208D, VAL34D, VAL38D, VAL87D
• D-F: ALA201F, ALA203F, ALA25D, ALA79F, ALA99D, ARG134D, ARG15D, ARG16D, ARG177D, ARG181D, ARG181F, ARG184F, ARG196F, ARG205F, ARG5D, ARG85F, ARG86F, ASN107D, ASN152D, ASN78F, ASN95F, ASP101D, ASP104D, ASP145F, ASP194F, ASP199F, ASP209F, ASP20D, ASP39F, ASP82F, CYS193F, GLN27D, GLN27F, GLU10D, GLU180D, GLU180F, GLU182D, GLU182F, GLU215F, GLU36F, GLU37D, GLU37F, GLU6D, GLU7D, GLY105D, GLY154D, GLY157D, GLY158D, GLY174D, GLY200F, HIS12D, HIS176D, HIS176F, HIS195F, HIS31D, HIS31F, ILE156D, ILE159D, ILE159F, ILE164D, ILE164F, ILE172D, ILE17D, ILE18D, ILE198F, ILE207F, ILE28D, ILE28F, ILE80F, ILE89F, ILE8D, LEU106D, LEU14D, LEU179D, LEU179F, LEU189F, LEU191F, LEU197F, LEU90F, LEU9D, LYS211F, LYS21D, LYS24D, LYS26D, LYS26F, LYS72F, LYS91F, LYS92F, MET11D, MET160D, MET160F, MET187F, MET22D, MET29F, MET35D, MET35F, PHE19D, PHE206F, PHE32F, PRO103D, PRO163D, PRO30D, PRO30F, PRO75F, SER161D, SER161F, SER190D, SER190F, SER192F, THR102D, THR147F, THR151D, THR155D, THR162D, THR162F, THR204F, THR23D, THR33D, THR33F, THR84F, TYR186F, TYR188D, TYR188F, TYR74F, TYR76F, TYR81F, TYR88F, TYR93F, VAL100D, VAL153D, VAL175D, VAL202F, VAL208F, VAL34F, VAL38F, VAL87F
• E-F: ALA201E, ALA203E, ALA25E, ALA25F, ALA79E, ALA99F, ARG134F, ARG15F, ARG16F, ARG177F, ARG181E, ARG181F, ARG196E, ARG205E, ARG85E, ARG86E, ASN107F, ASN152F, ASN166F, ASP101F, ASP104F, ASP194E, ASP199E, ASP209E, ASP20F, ASP39E, ASP82E, CYS193E, GLN27E, GLN27F, GLU10F, GLU180F, GLU182E, GLU182F, GLU215E, GLU36E, GLU37E, GLY105F, GLY154F, GLY157F, GLY158F, GLY174F, GLY200E, HIS12F, HIS176F, HIS195E, HIS31E, HIS31F, ILE156F, ILE159E, ILE159F, ILE164E, ILE164F, ILE172F, ILE17F, ILE18F, ILE198E, ILE207E, ILE28E, ILE89E, ILE8F, LEU106F, LEU14F, LEU179E, LEU179F, LEU189E, LEU191E, LEU197E, LEU90E, LEU9F, LYS211E, LYS212E, LYS21F, LYS24F, LYS26E, LYS26F, LYS91E, LYS92E, MET11F, MET160E, MET160F, MET22F, MET29E, MET35E, MET35F, PHE19F, PHE206E, PHE32E, PRO103F, PRO163E, PRO163F, PRO30E, PRO30F, PRO75E, SER161E, SER161F, SER190E, SER192E, THR102F, THR151F, THR155F, THR162E, THR162F, THR204E, THR23F, THR33E, THR33F, THR84E, TYR186E, TYR186F, TYR188E, TYR188F, TYR74E, TYR76E, TYR81E, TYR88E, VAL100F, VAL153F, VAL202E, VAL208E, VAL34E, VAL38E, VAL87E