1VKE

crystal structure of carboxymuconolactone decarboxylase family protein possibly involved in antioxidative response (tm1620) from thermotoga maritima at 1.56 a resolution

• Total interactions analyzed: 15
• Total true interactions: 15
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 28
  • Norm. En. per Res.: -3.6773
• 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	0.0	-11.1956	-114.724	-125.9196	55	1	3	4602	0	16	9
A-C	-33.9635	0.0	-69.0021	-102.9656	28	3	2	2148	0	0	0
A-D	-42.9176	-56.5626	-296.764	-396.2441	111	10	25	13632	4	38	23
A-E	-8.6572	-33.7485	-137.107	-179.5127	72	2	3	5888	2	34	24
A-F	0.0	0.0	-59.012	-59.012	37	1	3	2606	0	2	7
B-C	-41.4846	-55.7515	-305.226	-402.4621	111	9	25	13736	4	36	24
B-D	0.0	0.0	-57.0502	-57.0502	37	1	3	2571	0	2	6
B-E	-9.8769	-28.1839	-129.981	-168.0418	70	2	3	5489	3	33	24
B-F	-32.552	0.0	-70.4472	-102.9992	29	8	2	2183	0	0	0
C-D	-8.2452	-44.2253	-152.573	-205.0435	61	6	3	5668	3	24	14
C-E	0.0	0.0	-53.3123	-53.3123	36	6	3	2513	0	2	7
C-F	0.0	-13.1872	-122.153	-135.3402	58	0	3	4784	1	16	9
D-E	-25.775	0.0	-68.3756	-94.1506	28	3	2	2180	0	0	0
D-F	-12.7242	-46.6324	-155.14	-214.4967	63	3	3	5736	3	24	14
E-F	-40.583	-51.8322	-300.071	-392.4862	110	13	23	13717	2	37	23

Interface residues

• A-B: ALA53B, ALA83A, ALA87A, ARG100A, ARG101A, ARG27B, ARG58A, ARG58B, ASN24B, ASP32B, ASP60B, ASP61B, ASP77A, ASP85A, CYS59B, CYS62B, GLU78A, GLU82A, GLY21B, GLY50B, GLY91A, GLY92A, HIS66B, HIS98A, HIS98B, ILE63B, ILE80A, ILE86A, ILE94A, ILE96A, LEU23B, LEU31B, LEU57B, LEU84A, LEU88A, LEU99A, LYS26B, PHE28B, PHE29B, PHE81A, PRO97A, SER33B, SER54B, SER93A, THR22B, THR25B, THR55B, TYR36B, TYR65B, VAL103A, VAL35B, VAL56B, VAL89A, VAL90A, VAL95A
• A-C: ALA87A, ALA87C, ARG58A, ARG58C, GLY91A, GLY91C, GLY92A, GLY92C, ILE86A, ILE86C, ILE94A, ILE94C, ILE96A, ILE96C, LEU57A, LEU57C, LEU88A, LEU88C, SER93A, SER93C, VAL56A, VAL56C, VAL89A, VAL89C, VAL90A, VAL90C, VAL95A, VAL95C
• A-D: ALA34A, ALA34D, ALA53A, ALA53D, ALA75A, ALA75D, ALA83A, ALA83D, ALA87A, ALA87D, ARG37A, ARG37D, ARG58A, ARG58D, ASN30A, ASN30D, ASP32A, ASP32D, ASP42A, ASP42D, ASP77A, ASP77D, ASP85A, ASP85D, CYS59A, CYS59D, CYS62A, CYS62D, CYS70A, CYS70D, GLU47A, GLU47D, GLU78A, GLU78D, GLU79A, GLU79D, GLU82A, GLU82D, GLY39A, GLY39D, GLY50A, GLY50D, GLY91A, GLY91D, GLY92A, GLY92D, HIS66A, HIS66D, ILE80A, ILE80D, ILE86A, ILE86D, ILE94A, LEU31A, LEU31D, LEU41A, LEU41D, LEU48A, LEU48D, LEU51A, LEU51D, LEU57A, LEU57D, LEU84A, LEU84D, LEU88A, LEU88D, LYS40A, LYS40D, LYS44A, LYS44D, LYS46A, LYS46D, MET49A, MET49D, PHE28A, PHE28D, PHE29A, PHE29D, PHE81A, PHE81D, PRO38A, PRO38D, SER33A, SER33D, SER54A, SER54D, SER76A, SER76D, SER93A, SER93D, THR45A, THR45D, THR55A, THR55D, TYR36A, TYR36D, VAL35A, VAL35D, VAL43A, VAL43D, VAL52A, VAL52D, VAL56A, VAL56D, VAL89A, VAL89D, VAL90A, VAL90D, VAL95A, VAL95D
• A-E: ALA53A, ALA83E, ALA87E, ALA9A, ARG100E, ARG101E, ARG10A, ARG11A, ARG20A, ARG27A, ARG58A, ARG58E, ARG64A, ASN14A, ASN24A, ASN30A, ASP32A, ASP60A, ASP61A, ASP77E, ASP85E, CYS59A, CYS62A, GLU107E, GLU12A, GLU78E, GLU82E, GLU8A, GLY104E, GLY21A, GLY50A, GLY91E, GLY92E, HIS66A, HIS98A, HIS98E, ILE63A, ILE80E, ILE86E, ILE94E, ILE96E, LEU106E, LEU13A, LEU23A, LEU31A, LEU57A, LEU84E, LEU88E, LEU99E, LYS16A, LYS26A, PHE28A, PHE29A, PHE6A, PHE81E, PRO97E, SER19A, SER33A, SER54A, SER93E, THR22A, THR25A, THR55A, TYR36A, TYR65A, VAL103E, VAL17A, VAL35A, VAL56A, VAL89E, VAL90E, VAL95E
• A-F: ALA34A, ALA34F, ARG27A, ARG27F, ARG37A, ARG37F, ASN24A, ASN24F, ASN30A, ASN30F, ASP32A, ASP32F, GLY39A, GLY39F, LEU23A, LEU23F, LEU31A, LEU31F, LYS26A, LYS26F, LYS40A, LYS46A, LYS46F, PHE28A, PHE28F, PHE29A, PHE29F, SER33A, SER33F, THR22A, THR22F, THR25A, THR25F, TYR36A, TYR36F, VAL35A, VAL35F
• B-C: ALA34B, ALA34C, ALA53B, ALA53C, ALA75B, ALA75C, ALA83B, ALA83C, ALA87B, ALA87C, ARG37B, ARG37C, ARG58B, ARG58C, ASN30B, ASN30C, ASP32B, ASP32C, ASP42B, ASP42C, ASP77B, ASP77C, ASP85B, ASP85C, CYS59B, CYS59C, CYS62B, CYS62C, CYS70B, CYS70C, GLU47B, GLU47C, GLU78B, GLU78C, GLU79B, GLU79C, GLU82B, GLU82C, GLY39B, GLY39C, GLY50B, GLY50C, GLY91B, GLY91C, GLY92B, GLY92C, HIS66B, HIS66C, ILE80B, ILE80C, ILE86B, ILE86C, ILE94B, LEU31B, LEU31C, LEU41B, LEU41C, LEU48B, LEU48C, LEU51B, LEU51C, LEU57B, LEU57C, LEU84B, LEU84C, LEU88B, LEU88C, LYS40B, LYS40C, LYS44B, LYS44C, LYS46B, LYS46C, MET49B, MET49C, PHE28B, PHE28C, PHE29B, PHE29C, PHE81B, PHE81C, PRO38B, PRO38C, SER33B, SER33C, SER54B, SER54C, SER76B, SER76C, SER93B, SER93C, THR45B, THR45C, THR55B, THR55C, TYR36B, TYR36C, VAL35B, VAL35C, VAL43B, VAL43C, VAL52B, VAL52C, VAL56B, VAL56C, VAL89B, VAL89C, VAL90B, VAL90C, VAL95B, VAL95C
• B-D: ALA34B, ALA34D, ARG27B, ARG27D, ARG37B, ARG37D, ASN24B, ASN24D, ASN30B, ASN30D, ASP32B, ASP32D, GLY39B, GLY39D, LEU23B, LEU23D, LEU31B, LEU31D, LYS26B, LYS26D, LYS40B, LYS46B, LYS46D, PHE28B, PHE28D, PHE29B, PHE29D, SER33B, SER33D, THR22B, THR22D, THR25B, THR25D, TYR36B, TYR36D, VAL35B, VAL35D
• B-E: ALA53E, ALA83B, ALA87B, ALA9E, ARG100B, ARG101B, ARG10E, ARG20E, ARG27E, ARG58B, ARG58E, ARG64E, ASN14E, ASN24E, ASN30E, ASP32E, ASP60E, ASP61E, ASP77B, ASP85B, CYS59E, CYS62E, GLU107B, GLU12E, GLU78B, GLU82B, GLY104B, GLY21E, GLY50E, GLY91B, GLY92B, HIS66E, HIS98B, HIS98E, ILE63E, ILE80B, ILE86B, ILE94B, ILE96B, LEU106B, LEU13E, LEU23E, LEU31E, LEU57E, LEU84B, LEU88B, LEU99B, LYS16E, LYS26E, PHE28E, PHE29E, PHE6E, PHE81B, PRO97B, SER19E, SER33E, SER54E, SER93B, THR22E, THR25E, THR55E, TYR36E, TYR65E, VAL103B, VAL17E, VAL35E, VAL56E, VAL89B, VAL90B, VAL95B
• B-F: ALA87B, ALA87F, ARG58B, ARG58F, ASP85B, GLY91B, GLY91F, GLY92B, GLY92F, ILE86B, ILE86F, ILE94B, ILE94F, ILE96B, ILE96F, LEU57B, LEU57F, LEU88B, LEU88F, SER93B, SER93F, VAL56B, VAL56F, VAL89B, VAL89F, VAL90B, VAL90F, VAL95B, VAL95F
• C-D: ALA53D, ALA83C, ALA87C, ARG100C, ARG101C, ARG20D, ARG27D, ARG58C, ARG58D, ASN24D, ASN30D, ASP32D, ASP60D, ASP61D, ASP77C, ASP85C, CYS59D, CYS62D, GLU107C, GLU78C, GLU82C, GLY104C, GLY21D, GLY50D, GLY91C, GLY92C, HIS66D, HIS98C, HIS98D, ILE63D, ILE80C, ILE86C, ILE94C, ILE96C, LEU106C, LEU23D, LEU31D, LEU57D, LEU84C, LEU88C, LEU99C, LYS26D, PHE28D, PHE29D, PHE81C, PRO97C, SER19D, SER33D, SER54D, SER93C, THR22D, THR25D, THR55D, TYR36D, TYR65D, VAL103C, VAL35D, VAL56D, VAL89C, VAL90C, VAL95C
• C-E: ALA34C, ALA34E, ARG27C, ARG27E, ARG37C, ARG37E, ASN24C, ASN24E, ASN30C, ASN30E, ASP32C, ASP32E, GLY39C, GLY39E, LEU23C, LEU23E, LEU31C, LEU31E, LYS26C, LYS26E, LYS46C, LYS46E, PHE28C, PHE28E, PHE29C, PHE29E, SER33C, SER33E, THR22C, THR22E, THR25C, THR25E, TYR36C, TYR36E, VAL35C, VAL35E
• C-F: ALA53C, ALA83F, ALA87F, ARG100F, ARG101F, ARG27C, ARG58C, ARG58F, ASN24C, ASN30C, ASP32C, ASP60C, ASP61C, ASP77F, ASP85F, CYS59C, CYS62C, GLU107F, GLU78F, GLU82F, GLY21C, GLY50C, GLY91F, GLY92F, HIS66C, HIS98C, HIS98F, ILE63C, ILE80F, ILE86F, ILE94F, ILE96F, LEU106F, LEU23C, LEU31C, LEU57C, LEU84F, LEU88F, LEU99F, LYS26C, PHE28C, PHE29C, PHE81F, PRO97F, SER33C, SER54C, SER93F, THR22C, THR25C, THR55C, TYR36C, TYR65C, VAL103F, VAL35C, VAL56C, VAL89F, VAL90F, VAL95F
• D-E: ALA87D, ALA87E, ARG58D, ARG58E, GLY91D, GLY91E, GLY92D, GLY92E, ILE86D, ILE86E, ILE94D, ILE94E, ILE96D, ILE96E, LEU57D, LEU57E, LEU88D, LEU88E, SER93D, SER93E, VAL56D, VAL56E, VAL89D, VAL89E, VAL90D, VAL90E, VAL95D, VAL95E
• D-F: ALA53F, ALA83D, ALA87D, ARG100D, ARG101D, ARG20F, ARG27F, ARG58D, ARG58F, ARG64F, ASN24F, ASN30F, ASP32F, ASP60F, ASP61F, ASP77D, ASP85D, CYS59F, CYS62F, GLU107D, GLU108D, GLU78D, GLU82D, GLY104D, GLY21F, GLY50F, GLY91D, GLY92D, HIS66F, HIS98D, HIS98F, ILE63F, ILE80D, ILE86D, ILE94D, ILE96D, LEU106D, LEU23F, LEU31F, LEU57F, LEU84D, LEU88D, LEU99D, LYS26F, PHE105D, PHE28F, PHE29F, PHE81D, PRO97D, SER33F, SER54F, SER93D, THR22F, THR25F, THR55F, TYR36F, TYR65F, VAL103D, VAL35F, VAL56F, VAL89D, VAL90D, VAL95D
• E-F: ALA34E, ALA34F, ALA53E, ALA53F, ALA75E, ALA75F, ALA83E, ALA83F, ALA87E, ALA87F, ARG37E, ARG37F, ARG58E, ARG58F, ASN30E, ASN30F, ASP32E, ASP32F, ASP42E, ASP42F, ASP77E, ASP77F, ASP85E, ASP85F, CYS59E, CYS59F, CYS62E, CYS62F, CYS70F, GLU47E, GLU47F, GLU78E, GLU78F, GLU79E, GLU79F, GLU82E, GLU82F, GLY39E, GLY39F, GLY50E, GLY50F, GLY91E, GLY91F, GLY92E, GLY92F, HIS66E, HIS66F, ILE80E, ILE80F, ILE86E, ILE86F, ILE94E, LEU31E, LEU31F, LEU41E, LEU41F, LEU48E, LEU48F, LEU51E, LEU51F, LEU57E, LEU57F, LEU84E, LEU84F, LEU88E, LEU88F, LYS40E, LYS40F, LYS44E, LYS44F, LYS46E, LYS46F, MET49E, MET49F, PHE28E, PHE28F, PHE29E, PHE29F, PHE81E, PHE81F, PRO38E, PRO38F, SER33E, SER33F, SER54E, SER54F, SER76E, SER76F, SER93E, SER93F, THR45E, THR45F, THR55E, THR55F, TYR36E, TYR36F, VAL35E, VAL35F, VAL43E, VAL43F, VAL52E, VAL52F, VAL56E, VAL56F, VAL89E, VAL89F, VAL90E, VAL90F, VAL95E, VAL95F