1YXB

crystal structure of phosphoribosyl-atp pyrophosphatase from streptomyces coelicolor. nesg target rr8.

• Total interactions analyzed: 28
• Total true interactions: 20
• Strongest Interaction:
  • Chains: G-H
  • Int. Res.: 129
  • Norm. En. per Res.: -5.1011
• Hub Node: C(4)

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	-38.3706	-110.2301	-490.473	-639.0737	131	8	37	20850	6	58	32
A-C	0.0	0.0	-57.9591	-57.9591	30	0	2	1778	0	0	16
A-D	0.0	-64.653	-49.9148	-114.5678	26	1	3	2061	4	28	15
B-C	0.0	-65.9312	-55.714	-121.6452	27	1	3	2189	5	29	15
B-D	0.0	0.0	-63.2454	-63.2454	36	0	2	1860	0	0	16
B-E	0.0	0.0	-0.1491	-0.1491	5	0	0	14	0	1	4
B-F	0.0	0.0	-0.4251	-0.4251	5	0	0	95	0	2	2
C-D	-39.5828	-105.2088	-453.152	-597.9437	127	7	31	20204	6	58	32
C-E	0.0	16.6135	-3.754	12.8595	6	1	0	182	0	2	6
C-F	0.0	0.0	-1.5535	-1.5535	11	0	0	179	0	2	4
C-H	0.0	0.0	-0.1495	-0.1495	5	0	0	15	0	1	4
D-E	0.0	0.0	-1.5449	-1.5449	11	0	0	182	0	2	4
D-F	-16.7186	8.3348	-47.6521	-56.0359	20	2	0	1701	0	6	11
D-H	0.0	0.0	-0.4645	-0.4645	5	0	0	101	0	2	2
E-F	-37.7514	-106.5166	-452.254	-596.522	126	7	32	20040	7	58	32
E-G	0.0	0.0	-60.1169	-60.1169	34	0	2	1811	0	0	15
E-H	0.0	-66.9023	-52.523	-119.4253	27	1	3	2096	5	28	15
F-G	0.0	-61.2446	-47.3128	-108.5574	26	0	3	1986	4	28	15
F-H	0.0	0.0	-61.6793	-61.6793	30	0	2	1816	0	0	16
G-H	-37.1863	-110.4797	-510.379	-658.045	129	14	37	21285	6	58	32

Interface residues

• A-B: ALA37A, ALA37B, ALA46A, ALA46B, ALA47A, ALA47B, ALA52A, ALA52B, ALA53A, ALA53B, ALA60A, ALA60B, ALA61A, ALA61B, ALA62A, ALA62B, ALA78A, ALA78B, ALA88A, ALA88B, ARG79A, ARG79B, ASP59A, ASP59B, ASP84A, ASP84B, ASP85A, ASP85B, CB8.31573-25.84300, CB9.35014-8.43175, GLN67A, GLN67B, GLN73A, GLN73B, GLU12A, GLU12B, GLU44A, GLU44B, GLU45A, GLU45B, GLU48A, GLU48B, GLU54A, GLU54B, GLU56A, GLU56B, GLU63A, GLU63B, GLU64A, GLU64B, GLU7A, GLU7B, GLU8A, GLU8B, GLY34A, GLY34B, GLY39A, GLY39B, GLY57A, GLY57B, GLY80A, GLY80B, HIS36A, HIS36B, HIS71A, HIS71B, HIS89A, HIS89B, ILE38A, ILE38B, ILE65A, ILE65B, ILE81A, ILE81B, LEU13A, LEU13B, LEU68A, LEU68B, LEU69A, LEU69B, LEU83A, LEU83B, LEU90A, LEU90B, LEU91A, LEU91B, LEU9A, LEU9B, LYS40A, LYS40B, LYS41A, LYS41B, LYS4A, LYS4A5, LYS4B, LYS58A, LYS58B, PHE10A, PHE10B, PHE6A, PHE6B, SER66A, SER66B, SER82A, SER82B, THR5A, THR5B, TRP50A, TRP50B, TYR55A, TYR55B, TYR70A, TYR70B, TYR87A, TYR87B, VAL35A, VAL35B, VAL42A, VAL42B, VAL43A, VAL43B, VAL49A, VAL49B, VAL72A, VAL72B, VAL74A, VAL74B, VAL77A, VAL77B, VAL86A, VAL86B
• A-C: ALA46A, ALA46C, ALA47A, ALA47C, ALA52A, ALA52C, ALA60A, ALA60C, GLU44A, GLU44C, GLU45A, GLU45C, GLU48A, GLU48C, GLU54A, GLU54C, GLU56A, GLU56C, LYS40A, LYS40C, LYS41A, LYS41C, TRP50A, TRP50C, TYR55A, TYR55C, VAL43A, VAL43C, VAL49A, VAL49C
• A-D: ALA46A, ALA46D, ALA47A, ALA47D, GLU44A, GLU44D, GLU45A, GLU45D, GLU48A, GLU48D, GLU64A, GLU64D, GLY39A, GLY39D, HIS36A, HIS36D, LYS40A, LYS40D, LYS41A, LYS41D, TRP50A, TRP50D, VAL42A, VAL42D, VAL43A, VAL43D
• B-C: ALA37C, ALA46B, ALA46C, ALA47B, ALA47C, GLU44B, GLU44C, GLU45B, GLU45C, GLU48B, GLU48C, GLU64B, GLU64C, GLY39B, GLY39C, HIS36B, HIS36C, LYS40B, LYS40C, LYS41B, LYS41C, TRP50B, TRP50C, VAL42B, VAL42C, VAL43B, VAL43C
• B-D: ALA46B, ALA46D, ALA47B, ALA47D, ALA52B, ALA52D, ALA53B, ALA53D, ALA60B, ALA60D, GLU44B, GLU44D, GLU45B, GLU45D, GLU48B, GLU48D, GLU54B, GLU54D, GLU56B, GLU56D, GLU64B, GLU64D, GLY57B, GLY57D, LYS40B, LYS40D, LYS41B, LYS41D, TRP50B, TRP50D, TYR55B, TYR55D, VAL43B, VAL43D, VAL49B, VAL49D
• B-E: ASP85E, GLU56B, GLY80E, SER82E, TYR55B
• B-F: ASP59F, GLU56B, GLY57F, LYS58F, TYR55B
• C-D: ALA37C, ALA37D, ALA46C, ALA46D, ALA47C, ALA47D, ALA52C, ALA52D, ALA53C, ALA53D, ALA60C, ALA60D, ALA61C, ALA61D, ALA62C, ALA62D, ALA78C, ALA78D, ALA88C, ALA88D, ARG79C, ARG79D, ASP59C, ASP59D, ASP84C, ASP84D, ASP85C, ASP85D, GLN67C, GLN67D, GLN73C, GLN73D, GLU12C, GLU12D, GLU44C, GLU44D, GLU45C, GLU45D, GLU48C, GLU48D, GLU54C, GLU54D, GLU56C, GLU56D, GLU63C, GLU63D, GLU64C, GLU64D, GLU7C, GLU7D, GLU8C, GLU8D, GLY34C, GLY34D, GLY39C, GLY39D, GLY57C, GLY57D, GLY80C, GLY80D, HIS36C, HIS36D, HIS71C, HIS71D, HIS89C, HIS89D, ILE38C, ILE38D, ILE65C, ILE65D, ILE81C, ILE81D, LEU13C, LEU13D, LEU68C, LEU68D, LEU69C, LEU69D, LEU83C, LEU83D, LEU90C, LEU90D, LEU91C, LEU91D, LEU9C, LEU9D, LYS40C, LYS40D, LYS41C, LYS41D, LYS4C, LYS4D, LYS58C, LYS58D, PHE10C, PHE10D, PHE6C, PHE6D, SER66C, SER66D, SER82C, SER82D, THR5C, THR5D, TRP50C, TRP50D, TYR55C, TYR55D, TYR70C, TYR70D, TYR87C, TYR87D, VAL35C, VAL35D, VAL42C, VAL42D, VAL43C, VAL43D, VAL49C, VAL49D, VAL72C, VAL72D, VAL74C, VAL77C, VAL77D, VAL86C, VAL86D
• C-E: ARG79C, ARG79E, ASP32C, ASP32E, VAL35C, VAL35E
• C-F: ALA52F, ALA53F, ARG79C, ASP85C, GLU54F, GLU56F, GLY57F, GLY80C, ILE81C, LYS58F, TYR55F
• C-H: ASP85C, GLU56H, GLY80C, SER82C, TYR55H
• D-E: ALA52D, ALA53D, ARG79E, ASP85E, GLU54D, GLU56D, GLY57D, GLY80E, ILE81E, LYS58D, TYR55D
• D-F: ALA52D, ALA52F, ALA53D, ALA53F, ALA60D, ALA60F, ALA61D, ALA61F, ASP59D, ASP59F, GLU54D, GLU54F, GLU56D, GLU56F, GLY57D, GLY57F, LYS58D, LYS58F, TYR55D, TYR55F
• D-H: ASP59D, GLU56H, GLY57D, LYS58D, TYR55H
• E-F: ALA37E, ALA37F, ALA46E, ALA46F, ALA47E, ALA47F, ALA52E, ALA52F, ALA53E, ALA53F, ALA60E, ALA60F, ALA61E, ALA61F, ALA62E, ALA62F, ALA78E, ALA78F, ALA88E, ALA88F, ARG79E, ARG79F, ASP59E, ASP59F, ASP84E, ASP84F, ASP85E, ASP85F, GLN67E, GLN67F, GLN73E, GLN73F, GLU12E, GLU12F, GLU44E, GLU44F, GLU45E, GLU45F, GLU48E, GLU48F, GLU54E, GLU54F, GLU56E, GLU56F, GLU63E, GLU63F, GLU64E, GLU64F, GLU7E, GLU7F, GLU8E, GLU8F, GLY34E, GLY34F, GLY39E, GLY39F, GLY57E, GLY57F, GLY80E, GLY80F, HIS36E, HIS36F, HIS71E, HIS71F, HIS89E, HIS89F, ILE38E, ILE38F, ILE65E, ILE65F, ILE81E, ILE81F, LEU13E, LEU13F, LEU68E, LEU68F, LEU69E, LEU69F, LEU83E, LEU83F, LEU90E, LEU90F, LEU91E, LEU91F, LEU9E, LEU9F, LYS40E, LYS40F, LYS41E, LYS41F, LYS4E, LYS4F, LYS58E, LYS58F, PHE10E, PHE10F, PHE6E, PHE6F, SER66E, SER66F, SER82E, SER82F, THR5E, THR5F, TRP50E, TRP50F, TYR55E, TYR55F, TYR70E, TYR70F, TYR87E, TYR87F, VAL35E, VAL35F, VAL42E, VAL42F, VAL43E, VAL43F, VAL49E, VAL49F, VAL72E, VAL72F, VAL77E, VAL77F, VAL86E, VAL86F
• E-G: ALA46E, ALA46G, ALA47E, ALA47G, ALA52E, ALA52G, ALA53E, ALA53G, ALA60E, ALA60G, GLU44E, GLU44G, GLU45E, GLU45G, GLU48E, GLU48G, GLU54E, GLU54G, GLU56E, GLU56G, GLU64E, GLY57G, LYS40E, LYS40G, LYS41E, LYS41G, TRP50E, TRP50G, TYR55E, TYR55G, VAL43E, VAL43G, VAL49E, VAL49G
• E-H: ALA37E, ALA46E, ALA46H, ALA47E, ALA47H, GLU44E, GLU44H, GLU45E, GLU45H, GLU48E, GLU48H, GLU64E, GLU64H, GLY39E, GLY39H, HIS36E, HIS36H, LYS40E, LYS40H, LYS41E, LYS41H, TRP50E, TRP50H, VAL42E, VAL42H, VAL43E, VAL43H
• F-G: ALA46F, ALA46G, ALA47F, ALA47G, GLU44F, GLU44G, GLU45F, GLU45G, GLU48F, GLU48G, GLU64F, GLU64G, GLY39F, GLY39G, HIS36F, HIS36G, LYS40F, LYS40G, LYS41F, LYS41G, TRP50F, TRP50G, VAL42F, VAL42G, VAL43F, VAL43G
• F-H: ALA46F, ALA46H, ALA47F, ALA47H, ALA52F, ALA52H, ALA60F, ALA60H, GLU44F, GLU44H, GLU45F, GLU45H, GLU48F, GLU48H, GLU54F, GLU54H, GLU56F, GLU56H, LYS40F, LYS40H, LYS41F, LYS41H, TRP50F, TRP50H, TYR55F, TYR55H, VAL43F, VAL43H, VAL49F, VAL49H
• G-H: ALA37G, ALA37H, ALA46G, ALA46H, ALA47G, ALA47H, ALA52G, ALA52H, ALA53G, ALA53H, ALA60G, ALA60H, ALA61G, ALA61H, ALA62G, ALA62H, ALA78G, ALA78H, ALA88G, ALA88H, ARG79G, ARG79H, ASP59G, ASP59H, ASP84G, ASP84H, ASP85G, ASP85H, GLN67G, GLN67H, GLN73G, GLN73H, GLU12G, GLU12H, GLU44G, GLU44H, GLU45G, GLU45H, GLU48G, GLU48H, GLU54G, GLU54H, GLU56G, GLU56H, GLU63G, GLU63H, GLU64G, GLU64H, GLU7G, GLU7H, GLU8G, GLU8H, GLY34G, GLY34H, GLY39G, GLY39H, GLY57G, GLY57H, GLY80G, GLY80H, HIS36G, HIS36H, HIS71G, HIS71H, HIS89G, HIS89H, ILE38G, ILE38H, ILE65G, ILE65H, ILE81G, ILE81H, LEU13G, LEU13H, LEU68G, LEU68H, LEU69G, LEU69H, LEU83G, LEU83H, LEU90G, LEU90H, LEU91G, LEU91H, LEU9G, LEU9H, LYS16H, LYS40G, LYS40H, LYS41G, LYS41H, LYS4G, LYS4H, LYS58G, LYS58H, PHE10G, PHE10H, PHE6G, PHE6H, SER66G, SER66H, SER82G, SER82H, THR5G, THR5H, TRP50G, TRP50H, TYR55G, TYR55H, TYR70G, TYR70H, TYR87G, TYR87H, VAL35G, VAL35H, VAL42G, VAL42H, VAL43G, VAL43H, VAL49G, VAL49H, VAL72G, VAL72H, VAL74G, VAL74H, VAL77G, VAL77H, VAL86G, VAL86H