2AF7

crystal structure of the gamma-carboxymuconolactone decarboxylase from methanobacterium thermoautotrophicum. northeast structural genomics consortium target tt747.

• Total interactions analyzed: 36
• Total true interactions: 21
• Strongest Interaction:
  • Chains: G-H
  • Int. Res.: 104
  • Norm. En. per Res.: -4.2341
• Hub Node: A(7)

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-C	-21.979	-118.891	-263.776	-404.646	101	28	28	13187	7	20	16
A-D	-24.5925	0.0	-66.4255	-91.018	22	2	4	2206	0	0	0
A-E	-12.434	-1.1356	-108.368	-121.9376	64	9	12	5775	2	17	18
A-F	0.0	-13.0352	-67.8534	-80.8886	42	3	1	2445	4	20	15
A-G	-9.6161	-5.7296	-6.084	-21.4296	18	1	0	465	0	9	13
A-H	-12.5135	4.6426	-121.236	-129.1068	72	25	3	6131	0	35	38
A-I	-2.6675	-2.8594	-98.2006	-103.7275	66	13	12	6377	0	16	19
B-G	0.0	-10.5835	-110.867	-121.4505	66	14	12	6351	0	16	18
B-H	-23.0916	0.0	-60.7746	-83.8662	23	2	4	2110	0	0	0
C-D	0.0	-11.0839	-119.314	-130.3979	65	18	14	6681	3	15	23
C-E	-23.147	0.0	-62.4279	-85.5749	22	2	4	2152	0	0	0
C-F	0.0	-6.8935	-110.741	-117.6345	64	7	12	6507	0	14	15
C-G	0.0	0.0	-0.346	-0.346	5	0	0	73	0	6	6
C-I	-21.5955	-53.5005	-48.8879	-123.9839	43	7	1	2489	5	18	15
D-E	-6.8468	-48.1917	-75.5902	-130.6287	39	5	1	2897	3	16	14
D-F	0.0	-5.9475	-90.7971	-96.7446	61	8	11	5378	0	15	19
D-I	-25.1163	-117.2484	-280.257	-422.6217	102	14	27	13380	6	18	16
E-F	-18.2755	-114.8013	-270.376	-403.4528	105	31	27	13224	6	19	16
E-I	0.0	-8.9729	-112.203	-121.1759	67	7	10	5811	0	16	20
F-I	-25.4647	0.0	-59.6411	-85.1058	22	2	4	2137	0	0	0
G-H	-32.4954	-135.0325	-272.815	-440.3428	104	21	27	13395	7	19	14

Interface residues

• A-C: ALA101A, ALA101C, ALA105A, ALA105C, ALA41A, ALA41C, ALA62A, ALA62C, ALA63A, ALA63C, ALA69A, ALA69C, ALA98A, ALA98C, ARG48A, ARG48C, ARG56A, ARG56C, ARG68A, ARG68C, ASP44A, ASP44C, ASP52A, ASP52C, ASP88A, ASP88C, CYS85A, CYS85C, GLN72A, GLN72C, GLN96A, GLN96C, GLU57A, GLU57C, GLU89A, GLU89C, GLU92A, GLU92C, GLY102A, GLY102C, GLY49A, GLY49C, HIS76A, HIS76C, ILE90A, ILE90C, ILE91A, ILE91C, ILE95A, ILE95C, LEU51A, LEU51C, LEU53A, LEU53C, LEU58A, LEU58C, LEU59A, LEU59C, LEU61A, LEU61C, LEU64A, LEU64C, LEU67A, LEU67C, LYS54A, LYS54C, LYS87A, LYS87C, PHE103A, PHE103C, PHE36A, PHE36C, PHE40A, PHE40C, SER47A, SER86A, SER86C, THR55A, THR55C, THR60A, THR60C, THR65A, THR65C, TYR100A, TYR100C, TYR42A, TYR42C, TYR46A, TYR46C, VAL37A, VAL37C, VAL45A, VAL45C, VAL50A, VAL50C, VAL66A, VAL66C, VAL93A, VAL93C, VAL99A, VAL99C
• A-D: ALA101A, ALA101D, ALA105A, ALA105D, ALA106D, ALA98A, ALA98D, ARG68A, ARG68D, GLY102A, GLY102D, ILE107A, PHE103A, PHE103D, PRO104A, PRO104D, TYR100A, TYR100D, VAL66A, VAL66D, VAL99A, VAL99D
• A-E: ALA101E, ALA105E, ALA106E, ALA109E, ALA113E, ALA21A, ALA30A, ALA34A, ALA38A, ALA41A, ALA63A, ALA69A, ALA98E, ARG23A, ARG35A, ARG68A, ARG68E, ASN108E, ASP24A, ASP28A, ASP32A, ASP70A, ASP70E, ASP71A, ASP88E, GLN72A, GLN96E, GLU115E, GLU25A, GLU27A, GLU39A, GLU92E, GLY102E, HIS76A, ILE107E, ILE22A, ILE90E, ILE91E, ILE95E, LEU111E, LEU26A, LEU33A, LEU64A, LEU67A, LEU67E, LEU73A, LYS114E, LYS87E, PHE103E, PHE117E, PHE36A, PHE40A, PRO104E, PRO31A, THR118E, THR60A, TYR42A, VAL110E, VAL29A, VAL37A, VAL45A, VAL66A, VAL66E, VAL99E
• A-F: ALA30A, ALA30F, ALA34A, ALA41A, ALA41F, ARG35A, ARG35F, ARG3A, ARG48A, ARG48F, ARG56A, ARG56F, ASP32A, ASP32F, ASP44A, ASP44F, CB9.0988321.73266, GLU2A, GLU2A5, GLU2F, GLU39A, GLU39F, GLY43F, LEU33A, LEU33F, LEU67A, LEU67F, PHE36A, PHE36F, PHE40A, PHE40F, PRO31A, PRO31F, SER47F, TYR46A, TYR46F, VAL29A, VAL37A, VAL37F, VAL45A, VAL45F, VAL50A
• A-G: ASP52A, ASP52G, ASP88G, CYS85G, GLU89G, GLU92G, GLY49A, GLY84A, GLY84G, ILE90G, LEU51A, LEU53A, LYS54A, LYS54G, LYS87G, SER86G, THR55G, VAL50A
• A-H: ALA38A, ALA80A, ALA80H, ALA83A, ALA83H, ARG13A, ARG13H, ARG16A, ARG16H, ARG23A, ARG3A, ARG48A, ARG48H, ARG56A, ARG56H, ARG5A, ARG5H, ARG6A, ARG6H, ARG78H, ASN12A, ASN12H, ASN15A, ASN15H, ASN82A, ASN82H, ASP44A, ASP52A, ASP52H, CYS85A, CYS85H, GLU2A, GLU57A, GLU57H, GLU89H, GLU9A, GLU9H, GLY43A, GLY43H, GLY49A, GLY49H, GLY79A, GLY79H, GLY7A, GLY7H, GLY84A, GLY84H, ILE10A, ILE10H, LEU11A, LEU11H, LEU51A, LEU51H, LEU53A, LEU53H, LEU81A, LEU81H, LYS17A, LYS54A, LYS54H, SER47A, SER47H, SER86H, THR20A, THR55H, TYR19A, TYR42H, TYR46A, TYR46H, TYR4A, VAL45H, VAL50H
• A-I: ALA101A, ALA105A, ALA106A, ALA109A, ALA112A, ALA113A, ALA21I, ALA30I, ALA34I, ALA38I, ALA41I, ALA63I, ALA69I, ALA98A, ARG23I, ARG35I, ARG68A, ARG68I, ASN108A, ASP24I, ASP28I, ASP32I, ASP70A, ASP70I, ASP71I, ASP88A, GLN72I, GLN96A, GLU115A, GLU25I, GLU27I, GLU39I, GLU92A, GLY102A, HIS76I, ILE107A, ILE22I, ILE90A, ILE91A, ILE95A, LEU111A, LEU26I, LEU33I, LEU64I, LEU67A, LEU67I, LEU73I, LYS114A, LYS87A, PHE103A, PHE117A, PHE36I, PHE40I, PRO104A, PRO31I, THR118A, THR60I, TYR19I, TYR42I, VAL110A, VAL29I, VAL37I, VAL45I, VAL66A, VAL66I, VAL99A
• B-G: ALA101B, ALA105B, ALA106B, ALA109B, ALA112B, ALA113B, ALA21G, ALA30G, ALA34G, ALA38G, ALA41G, ALA63G, ALA69G, ALA98B, ARG23G, ARG35G, ARG68B, ARG68G, ASN108B, ASP24G, ASP28G, ASP32G, ASP70B, ASP70G, ASP71G, ASP88B, GLN72G, GLN96B, GLU115B, GLU25G, GLU27G, GLU39G, GLU92B, GLY102B, HIS76G, ILE107B, ILE22G, ILE90B, ILE91B, ILE95B, LEU111B, LEU26G, LEU33G, LEU64G, LEU67B, LEU67G, LEU73G, LYS114B, LYS87B, PHE103B, PHE117B, PHE36G, PHE40G, PRO104B, PRO31G, THR118B, THR60G, TYR42G, VAL110B, VAL116B, VAL29G, VAL37G, VAL45G, VAL66B, VAL66G, VAL99B
• B-H: ALA101B, ALA101H, ALA105B, ALA105H, ALA106B, ALA106H, ALA98B, ALA98H, ARG68B, ARG68H, GLY102B, GLY102H, ILE107B, PHE103B, PHE103H, PRO104B, PRO104H, TYR100B, TYR100H, VAL66B, VAL66H, VAL99B, VAL99H
• C-D: ALA101D, ALA105D, ALA106D, ALA109D, ALA112D, ALA113D, ALA21C, ALA30C, ALA34C, ALA38C, ALA41C, ALA63C, ALA69C, ALA98D, ARG23C, ARG35C, ARG68C, ARG68D, ASN108D, ASP24C, ASP28C, ASP32C, ASP70C, ASP70D, ASP71C, ASP88D, GLN72C, GLN96D, GLU115D, GLU25C, GLU27C, GLU39C, GLU92D, GLY102D, HIS76C, ILE107D, ILE22C, ILE90D, ILE91D, ILE95D, LEU111D, LEU26C, LEU33C, LEU64C, LEU67C, LEU67D, LEU73C, LYS114D, LYS87D, PHE103D, PHE117D, PHE36C, PHE40C, PRO104D, PRO31C, THR118D, THR60C, TYR19C, VAL110D, VAL29C, VAL37C, VAL45C, VAL66C, VAL66D, VAL99D
• C-E: ALA101C, ALA101E, ALA105C, ALA105E, ALA106E, ALA98C, ALA98E, ARG68C, GLN96C, GLY102C, GLY102E, ILE107C, PHE103C, PHE103E, PRO104C, PRO104E, TYR100C, TYR100E, VAL66C, VAL66E, VAL99C, VAL99E
• C-F: ALA101C, ALA105C, ALA106C, ALA109C, ALA113C, ALA21F, ALA30F, ALA34F, ALA38F, ALA41F, ALA63F, ALA69F, ALA98C, ARG23F, ARG35F, ARG68C, ARG68F, ASN108C, ASP24F, ASP28F, ASP32F, ASP70C, ASP70F, ASP71F, ASP88C, GLN72F, GLN96C, GLU115C, GLU25F, GLU27F, GLU39F, GLU92C, GLY102C, HIS76F, ILE107C, ILE22F, ILE91C, ILE95C, LEU111C, LEU26F, LEU33F, LEU64F, LEU67C, LEU67F, LEU73F, LYS114C, LYS87C, PHE103C, PHE117C, PHE36F, PHE40F, PRO104C, PRO31F, SER75F, THR118C, THR60F, TYR42F, VAL110C, VAL29F, VAL37F, VAL45F, VAL66C, VAL66F, VAL99C
• C-G: ALA83G, GLU89C, GLY84G, LYS54C, LYS54G
• C-I: ALA30C, ALA30I, ALA38I, ALA41C, ALA41I, ARG35C, ARG35I, ARG3C, ARG3I, ARG48C, ARG48I, ARG6C, ARG6I, ASP28C, ASP32C, ASP32I, ASP44C, ASP44I, GLU2I, GLU39C, GLU39I, GLY43C, GLY43I, LEU33C, LEU33I, LEU67C, LEU67I, PHE36C, PHE36I, PHE40C, PHE40I, PRO31C, PRO31I, SER47C, SER47I, TYR46I, TYR4I, VAL29C, VAL29I, VAL37C, VAL37I, VAL45C, VAL45I
• D-E: ALA30D, ALA30E, ALA34E, ALA41D, ALA41E, ARG35D, ARG35E, ARG3D, ARG3E, ARG48D, ARG48E, ARG6D, ARG6E, ASP32D, ASP32E, ASP44D, ASP44E, GLU2D, GLU39D, GLU39E, GLY43D, GLY43E, LEU33D, LEU33E, LEU67D, LEU67E, PHE36D, PHE36E, PHE40D, PHE40E, PRO31D, PRO31E, SER47E, VAL29D, VAL29E, VAL37D, VAL37E, VAL45D, VAL45E
• D-F: ALA101F, ALA105F, ALA106F, ALA109F, ALA112F, ALA113F, ALA21D, ALA30D, ALA34D, ALA38D, ALA41D, ALA63D, ALA69D, ALA98F, ARG35D, ARG68D, ARG68F, ASN108F, ASP24D, ASP28D, ASP32D, ASP70D, ASP70F, ASP71D, ASP88F, GLN72D, GLN96F, GLU115F, GLU25D, GLU27D, GLU39D, GLU92F, GLY102F, HIS76D, ILE107F, ILE22D, ILE90F, ILE91F, ILE95F, LEU111F, LEU33D, LEU64D, LEU67D, LEU73D, LYS114F, LYS87F, PHE103F, PHE117F, PHE36D, PHE40D, PRO104F, PRO31D, THR118F, THR60D, TYR42D, VAL110F, VAL29D, VAL37D, VAL66D, VAL66F, VAL99F
• D-I: ALA101D, ALA101I, ALA105D, ALA105I, ALA41D, ALA41I, ALA62D, ALA62I, ALA63D, ALA63I, ALA69D, ALA69I, ALA98D, ALA98I, ARG48D, ARG48I, ARG56D, ARG56I, ARG68D, ARG68I, ASP44D, ASP44I, ASP52D, ASP52I, ASP88D, ASP88I, CYS85D, CYS85I, GLN72D, GLN72I, GLN96D, GLN96I, GLU57D, GLU57I, GLU89D, GLU89I, GLU92D, GLU92I, GLY102D, GLY102I, GLY43D, GLY43I, GLY49D, GLY49I, HIS76D, HIS76I, ILE90D, ILE90I, ILE91D, ILE91I, ILE95D, ILE95I, LEU51D, LEU51I, LEU53D, LEU53I, LEU58D, LEU58I, LEU59D, LEU59I, LEU61D, LEU61I, LEU64D, LEU64I, LEU67D, LEU67I, LYS54D, LYS54I, LYS87D, LYS87I, PHE103D, PHE103I, PHE36D, PHE36I, PHE40D, PHE40I, SER86D, SER86I, THR55D, THR55I, THR60D, THR60I, THR65D, THR65I, TYR100D, TYR100I, TYR42D, TYR42I, TYR46D, TYR46I, VAL37D, VAL37I, VAL45D, VAL45I, VAL50D, VAL50I, VAL66D, VAL66I, VAL93D, VAL93I, VAL99D, VAL99I
• E-F: ALA101E, ALA101F, ALA105E, ALA105F, ALA41E, ALA41F, ALA62E, ALA62F, ALA63E, ALA63F, ALA69E, ALA69F, ALA98E, ALA98F, ARG48E, ARG48F, ARG56E, ARG56F, ARG68E, ARG68F, ASN15E, ASP44E, ASP44F, ASP52E, ASP52F, ASP88E, ASP88F, CYS85E, GLN72E, GLN72F, GLN96E, GLN96F, GLU57E, GLU57F, GLU89E, GLU89F, GLU92E, GLU92F, GLY102E, GLY102F, GLY43E, GLY49E, GLY49F, HIS76E, HIS76F, ILE90E, ILE90F, ILE91E, ILE91F, ILE95E, ILE95F, LEU11E, LEU11F, LEU51E, LEU51F, LEU53E, LEU53F, LEU58E, LEU58F, LEU59E, LEU59F, LEU61E, LEU61F, LEU64E, LEU64F, LEU67E, LEU67F, LEU73E, LYS54E, LYS54F, LYS87E, LYS87F, PHE103E, PHE103F, PHE36E, PHE36F, PHE40E, PHE40F, SER75E, SER86E, SER86F, THR55E, THR55F, THR60E, THR60F, THR65E, THR65F, TYR100E, TYR100F, TYR42E, TYR42F, TYR46E, TYR46F, VAL37E, VAL37F, VAL45E, VAL45F, VAL50E, VAL50F, VAL66E, VAL66F, VAL93E, VAL93F, VAL99E, VAL99F
• E-I: ALA101I, ALA105I, ALA106I, ALA109I, ALA112I, ALA113I, ALA21E, ALA30E, ALA34E, ALA38E, ALA41E, ALA63E, ALA69E, ALA98I, ARG23E, ARG35E, ARG68E, ARG68I, ASN108I, ASP24E, ASP28E, ASP32E, ASP70E, ASP70I, ASP71E, ASP88I, GLN72E, GLN96I, GLU115I, GLU25E, GLU27E, GLU39E, GLU92I, GLY102I, HIS76E, ILE107I, ILE22E, ILE90I, ILE91I, ILE95I, LEU111I, LEU26E, LEU33E, LEU64E, LEU67E, LEU67I, LEU73E, LYS114I, LYS87I, PHE103I, PHE117I, PHE36E, PHE40E, PRO104I, PRO31E, SER18E, SER75E, THR118I, THR60E, THR65I, TYR42E, VAL110I, VAL29E, VAL37E, VAL66E, VAL66I, VAL99I
• F-I: ALA101F, ALA101I, ALA105F, ALA105I, ALA106F, ALA106I, ALA98F, ALA98I, ARG68F, ARG68I, GLY102F, GLY102I, PHE103F, PHE103I, PRO104F, PRO104I, TYR100F, TYR100I, VAL66F, VAL66I, VAL99F, VAL99I
• G-H: ALA101G, ALA101H, ALA105G, ALA105H, ALA41G, ALA41H, ALA62G, ALA62H, ALA63G, ALA63H, ALA69G, ALA69H, ALA98G, ALA98H, ARG48G, ARG48H, ARG56G, ARG56H, ARG68G, ARG68H, ASP44G, ASP44H, ASP52G, ASP52H, ASP88G, ASP88H, CYS85G, CYS85H, GLN72G, GLN72H, GLN96G, GLN96H, GLU57G, GLU57H, GLU89G, GLU89H, GLU92G, GLU92H, GLY102G, GLY102H, GLY49G, GLY49H, HIS76G, HIS76H, ILE90G, ILE90H, ILE91G, ILE91H, ILE95G, ILE95H, LEU11G, LEU11H, LEU51G, LEU51H, LEU53G, LEU53H, LEU58G, LEU58H, LEU59G, LEU59H, LEU61G, LEU61H, LEU64G, LEU64H, LEU67G, LEU67H, LYS54G, LYS54H, LYS87G, LYS87H, PHE103G, PHE103H, PHE36G, PHE36H, PHE40G, PHE40H, SER47G, SER75H, SER86G, SER86H, THR55G, THR55H, THR60G, THR60H, THR65G, THR65H, TYR100G, TYR100H, TYR42G, TYR42H, TYR46G, TYR46H, VAL37G, VAL37H, VAL45G, VAL45H, VAL50G, VAL50H, VAL66G, VAL66H, VAL93G, VAL93H, VAL99G, VAL99H