3R7L

crystal structure of pala-bound aspartate transcarbamoylase from bacillus subtilis

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 103
  • Norm. En. per Res.: -4.2169
• 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	-46.725	-100.9084	-277.672	-425.3054	104	13	5	11929	7	29	38
A-C	-51.9099	-100.2141	-282.212	-434.336	103	19	5	12125	7	29	38
A-E	-11.9577	2.9349	-53.6926	-62.7154	25	3	0	1793	0	6	5
B-C	-41.8742	-100.7334	-275.878	-418.4856	102	11	5	11991	7	29	38
B-D	-16.406	0.4979	-62.9524	-78.8605	27	3	0	2034	0	6	5
C-F	-4.7919	13.7035	-35.3925	-26.4809	20	0	0	1375	0	4	1
D-E	-55.2344	-90.1453	-285.849	-431.2287	105	17	5	11938	7	30	38
D-F	-53.377	-98.9733	-285.486	-437.8363	104	19	5	12075	7	30	38
E-F	-36.6465	-112.3737	-266.551	-415.5712	103	17	5	12014	7	29	38

Interface residues

• A-B: ALA120A, ALA250A, ALA39B, ALA40B, ALA57A, ARG160A, ARG211A, ARG216A, ARG254A, ARG281A, ARG49A, ARG51A, ARG51B, ARG86B, ARG99A, ASN114B, ASN214A, ASN253A, ASN276A, ASN41B, ASN64A, ASN64B, ASN67A, ASN67B, ASP260A, ASP69A, ASP69B, ASP83B, ASP94B, GLN112B, GLN213A, GLN273A, GLN76B, GLU215A, GLU264A, GLU45A, GLU55A, GLU55B, GLU58A, GLU79B, GLU89B, GLY121A, GLY277A, GLY36B, GLY62A, GLY70B, GLY78B, GLY92B, HIS127A, HIS248A, ILE212A, ILE270A, ILE85B, ILE91B, LEU133A, LEU42B, LEU61A, LEU66B, LEU68B, LEU88B, LYS272A, LYS275A, LYS37B, LYS59A, LYS59B, LYS60A, LYS77B, MET274A, MET63A, MET63B, PHE271A, PHE279A, PHE38B, PHE43A, PHE44A, PHE52A, PHE54A, PRO249A, PRO251A, PRO46A, SER47A, SER53A, SER72B, SER74B, SER90B, THR48A, THR50A, THR71A, THR71B, THR73B, THR80B, THR84B, THR87B, TYR82B, VAL113B, VAL161A, VAL252A, VAL263A, VAL278A, VAL56A, VAL65A, VAL65B, VAL75B, VAL93B
• A-C: ALA120C, ALA250C, ALA39A, ALA40A, ALA57C, ARG160C, ARG211C, ARG216C, ARG254C, ARG281C, ARG49C, ARG51A, ARG51C, ARG86A, ARG99C, ASN114A, ASN214C, ASN253C, ASN276C, ASN41A, ASN64A, ASN64C, ASN67A, ASN67C, ASP260C, ASP69A, ASP69C, ASP83A, GLN112A, GLN213C, GLN273C, GLN76A, GLU215C, GLU264C, GLU45C, GLU55A, GLU55C, GLU58C, GLU79A, GLU89A, GLY121C, GLY277C, GLY36A, GLY62C, GLY70A, GLY70C, GLY78A, GLY92A, HIS127C, HIS248C, ILE212C, ILE270C, ILE85A, ILE91A, LEU133C, LEU42A, LEU61C, LEU66A, LEU68A, LEU88A, LYS272C, LYS275C, LYS59A, LYS59C, LYS60C, LYS77A, MET274C, MET63A, MET63C, PHE271C, PHE279C, PHE38A, PHE43C, PHE44C, PHE52C, PHE54C, PRO249C, PRO251C, PRO46C, SER47C, SER53C, SER72A, SER74A, SER90A, THR48C, THR50C, THR71A, THR71C, THR73A, THR80A, THR84A, THR87A, TYR82A, VAL113A, VAL161C, VAL252C, VAL263C, VAL278C, VAL56C, VAL65A, VAL65C, VAL75A, VAL93A
• A-E: ASN32A, ASN32E, ASP31A, ASP31E, GLN286A, GLN286E, GLN290E, GLN33A, GLN33E, GLU24E, GLY28A, GLY28E, GLY62A, LEU34A, LEU34E, LEU61E, LYS29A, LYS29E, LYS60E, SER27A, SER27E, THR30A, THR30E, THR35A, THR35E
• B-C: ALA120B, ALA250B, ALA39C, ALA40C, ALA57B, ARG160B, ARG211B, ARG216B, ARG254B, ARG281B, ARG49B, ARG51B, ARG51C, ARG86C, ARG99B, ASN114C, ASN214B, ASN253B, ASN276B, ASN41C, ASN64C, ASN67B, ASN67C, ASP260B, ASP69B, ASP69C, ASP83C, ASP94C, GLN112C, GLN213B, GLN273B, GLN76C, GLU215B, GLU264B, GLU45B, GLU55B, GLU58B, GLU79C, GLU89C, GLY121B, GLY277B, GLY36C, GLY62B, GLY70B, GLY70C, GLY78C, GLY92C, HIS127B, HIS248B, ILE212B, ILE270B, ILE85C, ILE91C, LEU133B, LEU42C, LEU61B, LEU66C, LEU68C, LEU88C, LYS272B, LYS275B, LYS37C, LYS59B, LYS59C, LYS60B, LYS77C, MET274B, MET63B, MET63C, PHE271B, PHE279B, PHE38C, PHE43B, PHE52B, PHE54B, PRO249B, PRO251B, PRO46B, SER47B, SER53B, SER72C, SER74C, SER90C, THR48B, THR50B, THR71B, THR71C, THR73C, THR80C, THR84C, THR87C, TYR82C, VAL113C, VAL161B, VAL252B, VAL263B, VAL278B, VAL56B, VAL65B, VAL65C, VAL75C, VAL93C
• B-D: ASN32B, ASN32D, ASP31B, ASP31D, GLN286D, GLN290D, GLN33B, GLN33D, GLU24B, GLU24D, GLY28B, GLY28D, GLY62D, LEU25B, LEU34B, LEU34D, LEU61B, LYS29B, LYS29D, LYS60B, LYS60D, SER27B, SER27D, THR30B, THR30D, THR35B, THR35D
• C-F: ASN32C, ASN32F, ASP31C, ASP31F, GLN286C, GLN33C, GLN33F, GLY28F, GLY62F, LEU25C, LEU25F, LEU34F, LEU61F, LYS29C, LYS29F, LYS37C, THR30C, THR30F, THR35C, THR35F
• D-E: ALA120D, ALA250D, ALA39E, ALA40E, ALA57D, ARG160D, ARG211D, ARG216D, ARG254D, ARG281D, ARG49D, ARG51D, ARG51E, ARG86E, ARG99D, ASN114E, ASN214D, ASN253D, ASN276D, ASN41E, ASN64D, ASN64E, ASN67D, ASN67E, ASP260D, ASP69D, ASP69E, ASP83E, GLN112E, GLN213D, GLN273D, GLN76E, GLU215D, GLU264D, GLU45D, GLU55D, GLU55E, GLU58D, GLU79E, GLU89E, GLY121D, GLY277D, GLY36E, GLY62D, GLY70D, GLY70E, GLY78E, GLY92E, HIS127D, HIS248D, ILE212D, ILE270D, ILE85E, ILE91E, LEU133D, LEU42E, LEU61D, LEU66E, LEU68E, LEU88E, LYS272D, LYS275D, LYS37E, LYS59D, LYS59E, LYS60D, LYS77E, MET274D, MET63D, MET63E, PHE271D, PHE279D, PHE38E, PHE43D, PHE44D, PHE52D, PHE54D, PRO249D, PRO251D, PRO46D, SER268D, SER47D, SER53D, SER72E, SER74E, SER90E, THR48D, THR50D, THR71D, THR71E, THR73E, THR80E, THR84E, THR87E, TYR82E, VAL113E, VAL161D, VAL252D, VAL263D, VAL278D, VAL56D, VAL65D, VAL65E, VAL75E, VAL93E
• D-F: ALA120F, ALA250F, ALA39D, ALA40D, ALA57F, ARG160F, ARG211F, ARG216F, ARG254F, ARG281F, ARG49F, ARG51F, ARG86D, ARG99F, ASN114D, ASN214F, ASN253F, ASN276F, ASN41D, ASN64D, ASN64F, ASN67D, ASN67F, ASP260F, ASP69D, ASP69F, ASP83D, GLN112D, GLN213F, GLN273F, GLN76D, GLU215F, GLU264F, GLU45F, GLU55D, GLU55F, GLU58F, GLU79D, GLU89D, GLY121F, GLY277F, GLY36D, GLY62F, GLY70D, GLY70F, GLY78D, GLY92D, HIS127F, HIS248F, ILE212F, ILE270F, ILE85D, ILE91D, LEU133F, LEU42D, LEU61F, LEU66D, LEU68D, LEU88D, LYS272F, LYS275F, LYS37D, LYS59D, LYS59F, LYS60F, LYS77D, MET274F, MET63D, MET63F, PHE271F, PHE279F, PHE38D, PHE43F, PHE44F, PHE52F, PHE54F, PRO249F, PRO251F, PRO46F, SER47F, SER53F, SER72D, SER74D, SER90D, THR48F, THR50F, THR71D, THR71F, THR73D, THR80D, THR84D, THR87D, TYR82D, VAL113D, VAL161F, VAL252F, VAL256F, VAL263F, VAL278F, VAL56F, VAL65D, VAL65F, VAL75D, VAL93D
• E-F: ALA120E, ALA250E, ALA39F, ALA40F, ALA57E, ARG160E, ARG211E, ARG216E, ARG254E, ARG281E, ARG49E, ARG51E, ARG86F, ARG99E, ASN114F, ASN214E, ASN253E, ASN276E, ASN41F, ASN64E, ASN64F, ASN67E, ASN67F, ASP260E, ASP69E, ASP69F, ASP83F, GLN112F, GLN213E, GLN273E, GLN76F, GLU215E, GLU264E, GLU45E, GLU55E, GLU58E, GLU79F, GLU89F, GLY121E, GLY277E, GLY36F, GLY62E, GLY70E, GLY70F, GLY78F, GLY92F, HIS127E, HIS248E, ILE212E, ILE270E, ILE85F, ILE91F, LEU133E, LEU42F, LEU61E, LEU66F, LEU68F, LEU88F, LYS272E, LYS275E, LYS37F, LYS59E, LYS59F, LYS60E, LYS77F, MET274E, MET63E, MET63F, PHE271E, PHE279E, PHE38F, PHE43E, PHE44E, PHE44F, PHE52E, PHE54E, PRO249E, PRO251E, PRO46E, SER47E, SER53E, SER72F, SER74F, SER90F, THR48E, THR50E, THR71E, THR71F, THR73F, THR80F, THR84F, THR87F, TYR82F, VAL113F, VAL161E, VAL252E, VAL263E, VAL278E, VAL56E, VAL65E, VAL65F, VAL75F, VAL93F