3HYC

crystal structure of e. coli phosphatase yrbi, with mg, tetragonal form

• Total interactions analyzed: 28
• Total true interactions: 20
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 113
  • Norm. En. per Res.: -4.9245
• 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	-116.0379	-103.2619	-337.165	-556.4648	113	14	9	12708	7	41	34
A-C	0.0	0.0	-0.2636	-0.2636	12	0	0	70	0	0	4
A-D	-98.024	-92.9851	-261.677	-452.6861	95	16	8	9944	7	34	30
A-E	0.0	0.0	-48.9383	-48.9383	38	2	0	2390	0	4	6
A-H	0.0	0.0	-26.7256	-26.7256	24	0	1	1213	0	0	1
B-C	-92.1835	-102.5335	-255.58	-450.2969	96	11	7	9896	8	35	31
B-D	0.0	0.0	-1.8088	-1.8088	12	0	0	187	0	0	4
B-G	0.0	0.0	-23.5175	-23.5175	24	0	1	1157	0	0	1
B-H	0.0	0.0	-34.4024	-34.4024	39	0	0	2224	0	4	6
C-D	-109.5394	-94.7896	-343.83	-548.159	112	16	9	12780	7	40	35
C-F	0.0	0.0	-26.6893	-26.6893	24	0	1	1200	0	0	1
C-G	0.0	0.0	-47.1425	-47.1425	39	0	0	2332	0	4	6
D-E	0.0	0.0	-24.5805	-24.5805	24	0	1	1218	0	0	1
D-F	0.0	0.0	-41.5945	-41.5945	38	0	0	2448	0	4	6
E-F	-90.7996	-96.0134	-323.907	-510.72	111	17	9	12563	8	40	35
E-G	0.0	0.0	-0.238	-0.238	12	0	0	75	0	0	4
E-H	-90.751	-85.9776	-287.45	-464.1786	108	17	7	11119	6	38	33
F-G	-91.0568	-85.6295	-289.411	-466.0973	108	13	6	11136	5	38	33
F-H	0.0	1.1335	-1.0996	0.0339	12	0	0	160	0	0	4
G-H	-87.516	-97.842	-326.154	-511.512	113	15	9	12313	7	40	34

Interface residues

• A-B: ALA141B, ALA143B, ALA145B, ALA183A, ALA53A, ALA80A, ALA88A, ARG152B, ARG158A, ARG163A, ARG167A, ARG57A, ARG63A, ARG78A, ARG78B, ARG86A, ASN101B, ASN46B, ASN47A, ASN47B, ASN55A, ASP125B, ASP126B, ASP129B, ASP144B, ASP171A, ASP181A, ASP32B, ASP34B, ASP39A, ASP39B, ASP58A, ASP85A, CYS11A, CYS170A, CYS64A, CYS87A, GLN186A, GLN99B, GLU168A, GLU49A, GLU49B, GLU50A, GLU50B, GLU84A, GLY124B, GLY13A, GLY161A, GLY161B, GLY162A, GLY164A, GLY185A, GLY35B, GLY40A, GLY40B, GLY45B, GLY48A, GLY48B, GLY59A, GLY61A, GLY77B, GLY98B, HIS146B, ILE128B, ILE150B, ILE159A, ILE188A, ILE42A, ILE42B, LEU127B, LEU148B, LEU149B, LEU172A, LEU174A, LEU175A, LEU180A, LEU37A, LEU41A, LEU41B, LEU51A, LEU51B, LEU82A, LEU90A, LYS102B, LYS184A, LYS52A, LYS52B, LYS79A, LYS79B, LYS81A, MET44A, MET44B, PHE54A, PRO131B, PRO147B, PRO151B, SER100B, SER187A, SER38A, SER38B, THR10A, THR76B, THR89A, TRP130B, TYR12A, TYR43A, TYR43B, TYR60A, VAL142B, VAL33B, VAL36B, VAL56A, VAL83A
• A-C: ALA53A, ALA53C, ARG163A, ARG163C, GLU49A, GLU49C, GLY45A, GLY45C, LEU51A, LEU51C, TYR43A, TYR43C
• A-D: ALA143A, ALA145A, ALA183D, ALA53D, ALA80D, ALA88D, ARG152A, ARG158D, ARG163A, ARG163D, ARG167D, ARG57D, ARG78D, ARG86D, ASN46A, ASN47A, ASN47D, ASN55D, ASP125A, ASP126A, ASP129A, ASP144A, ASP171D, ASP181D, ASP32A, ASP34A, ASP39A, ASP39D, ASP58D, ASP85D, CYS11D, CYS170D, CYS64D, CYS87D, GLU168D, GLU49A, GLU49D, GLU50A, GLU50D, GLU84D, GLY124A, GLY13D, GLY161A, GLY161D, GLY162D, GLY164D, GLY35A, GLY40A, GLY45A, GLY48A, GLY48D, GLY59D, GLY61D, HIS146A, ILE128A, ILE150A, ILE159D, ILE42A, ILE42D, LEU127A, LEU148A, LEU149A, LEU172D, LEU174D, LEU175D, LEU180D, LEU37D, LEU41A, LEU41D, LEU51A, LEU51D, LEU82D, LEU90D, LYS52A, LYS52D, LYS79D, LYS81D, MET44A, MET44D, PHE54D, PRO147A, PRO151A, SER38A, SER38D, THR10D, THR89D, TYR12D, TYR43A, TYR43D, TYR60D, VAL142A, VAL33A, VAL36A, VAL56D, VAL83D
• A-E: ALA153A, ALA153E, ALA17A, ALA17E, ALA9A, ALA9E, ARG152A, ARG152E, ARG158A, ARG158E, ASP18A, ASP18E, GLY13A, GLY13E, HIS146A, HIS146E, ILE150A, ILE150E, LEU148A, LEU148E, LEU149A, LEU149E, LEU8A, LEU8E, PRO147A, PRO147E, PRO14A, PRO14E, PRO151A, PRO151E, SER16A, SER16E, TYR155A, TYR155E, VAL15A, VAL15E, VAL19A, VAL19E
• A-H: ALA9A, ALA9H, ARG158A, ARG158H, ASP181A, ASP181H, CYS11A, CYS11H, GLY13A, GLY13H, LEU175A, LEU175H, LEU180A, LEU180H, LEU8A, LEU8H, PRO14A, PRO14H, THR10A, THR10H, TYR12A, TYR12H, VAL15A, VAL15H
• B-C: ALA143C, ALA145C, ALA160C, ALA53B, ALA80B, ALA88B, ARG152C, ARG158B, ARG163B, ARG163C, ARG167B, ARG57B, ARG78B, ARG78C, ARG86B, ASN46C, ASN47B, ASN47C, ASN55B, ASP125C, ASP126C, ASP129C, ASP144C, ASP171B, ASP181B, ASP32C, ASP34C, ASP39B, ASP39C, ASP58B, ASP85B, CYS11B, CYS170B, CYS64B, CYS87B, GLU168B, GLU49B, GLU49C, GLU50B, GLU50C, GLU84B, GLY124C, GLY13B, GLY161B, GLY161C, GLY162B, GLY162C, GLY164B, GLY35C, GLY40C, GLY45C, GLY48B, GLY48C, GLY59B, GLY61B, HIS146C, ILE128C, ILE150C, ILE159B, ILE42C, LEU127C, LEU148C, LEU149C, LEU172B, LEU174B, LEU175B, LEU180B, LEU37B, LEU41B, LEU41C, LEU51B, LEU51C, LEU82B, LEU90B, LYS52B, LYS52C, LYS79B, LYS81B, MET44B, MET44C, PHE54B, PRO147C, PRO151C, SER38B, SER38C, THR10B, THR89B, TYR12B, TYR43B, TYR43C, TYR60B, VAL142C, VAL33C, VAL36C, VAL56B, VAL83B
• B-D: ALA53B, ALA53D, ARG163B, ARG163D, GLU49B, GLU49D, LEU41B, LEU41D, LEU51B, LEU51D, TYR43B, TYR43D
• B-G: ALA9B, ALA9G, ARG158B, ARG158G, ASP181B, ASP181G, CYS11B, CYS11G, GLY13B, GLY13G, LEU175B, LEU175G, LEU180B, LEU180G, LEU8B, LEU8G, PRO14B, PRO14G, THR10B, THR10G, TYR12B, TYR12G, VAL15B, VAL15G
• B-H: ALA153B, ALA153H, ALA17B, ALA17H, ALA9B, ALA9H, ARG152B, ARG152H, ARG158B, ARG158H, ASP18B, ASP18H, GLY13B, GLY13H, HIS146B, HIS146H, ILE150B, ILE150H, LEU148B, LEU148H, LEU149B, LEU149H, LEU8B, LEU8H, PRO147B, PRO147H, PRO14B, PRO14H, PRO151B, PRO151H, SER16B, SER16H, THR10H, TYR155B, TYR155H, VAL15B, VAL15H, VAL19B, VAL19H
• C-D: ALA141D, ALA143D, ALA145D, ALA183C, ALA53C, ALA80C, ALA88C, ARG152D, ARG158C, ARG163C, ARG163D, ARG167C, ARG57C, ARG63C, ARG78C, ARG78D, ARG86C, ASN101D, ASN46D, ASN47C, ASN47D, ASN55C, ASP125D, ASP126D, ASP129D, ASP144D, ASP171C, ASP181C, ASP32D, ASP34D, ASP39C, ASP39D, ASP58C, ASP85C, CYS11C, CYS170C, CYS64C, CYS87C, GLN186C, GLN99D, GLU168C, GLU49C, GLU49D, GLU50C, GLU50D, GLU84C, GLY124D, GLY13C, GLY161C, GLY161D, GLY162C, GLY164C, GLY185C, GLY35D, GLY40D, GLY45D, GLY48C, GLY48D, GLY59C, GLY61C, GLY77D, GLY98D, HIS146D, ILE128D, ILE150D, ILE159C, ILE188C, ILE42C, ILE42D, LEU127D, LEU148D, LEU149D, LEU172C, LEU175C, LEU180C, LEU37C, LEU41C, LEU41D, LEU51C, LEU51D, LEU82C, LEU90C, LYS102D, LYS184C, LYS52C, LYS52D, LYS79C, LYS79D, LYS81C, MET44C, MET44D, PHE54C, PRO131D, PRO147D, PRO151D, SER100D, SER187C, SER38C, SER38D, THR10C, THR76D, THR89C, TRP130D, TYR12C, TYR43C, TYR43D, TYR60C, VAL142D, VAL33D, VAL36D, VAL56C, VAL83C
• C-F: ALA9C, ALA9F, ARG158C, ARG158F, ASP181C, ASP181F, CYS11C, CYS11F, GLY13C, GLY13F, LEU175C, LEU175F, LEU180C, LEU180F, LEU8C, LEU8F, PRO14C, PRO14F, THR10C, THR10F, TYR12C, TYR12F, VAL15C, VAL15F
• C-G: ALA153C, ALA153G, ALA17C, ALA17G, ALA9C, ALA9G, ARG152C, ARG152G, ARG158C, ARG158G, ASP18C, ASP18G, GLY13C, GLY13G, HIS146C, HIS146G, ILE150C, ILE150G, LEU148C, LEU148G, LEU149C, LEU149G, LEU8C, LEU8G, PRO147C, PRO147G, PRO14C, PRO14G, PRO151C, PRO151G, SER16C, SER16G, TRP130C, TYR155C, TYR155G, VAL15C, VAL15G, VAL19C, VAL19G
• D-E: ALA9D, ALA9E, ARG158D, ARG158E, ASP181D, ASP181E, CYS11D, CYS11E, GLY13D, GLY13E, LEU175D, LEU175E, LEU180D, LEU180E, LEU8D, LEU8E, PRO14D, PRO14E, THR10D, THR10E, TYR12D, TYR12E, VAL15D, VAL15E
• D-F: ALA153D, ALA153F, ALA17D, ALA17F, ALA9D, ALA9F, ARG152D, ARG152F, ARG158D, ARG158F, ASP18D, ASP18F, GLY13D, GLY13F, HIS146D, HIS146F, ILE150D, ILE150F, LEU148D, LEU148F, LEU149D, LEU149F, LEU8D, LEU8F, PRO147D, PRO147F, PRO14D, PRO14F, PRO151D, PRO151F, SER16D, SER16F, TYR155D, TYR155F, VAL15D, VAL15F, VAL19D, VAL19F
• E-F: ALA141F, ALA143F, ALA145F, ALA183E, ALA53E, ALA80E, ALA88E, ARG152F, ARG158E, ARG163E, ARG163F, ARG167E, ARG57E, ARG78E, ARG78F, ARG86E, ASN101F, ASN46F, ASN47E, ASN47F, ASN55E, ASP125F, ASP126F, ASP129F, ASP144F, ASP171E, ASP181E, ASP32F, ASP34F, ASP39E, ASP39F, ASP58E, ASP85E, CYS11E, CYS170E, CYS64E, CYS87E, GLN186E, GLN99F, GLU168E, GLU49E, GLU49F, GLU50E, GLU50F, GLU84E, GLY124F, GLY13E, GLY161E, GLY161F, GLY162E, GLY164E, GLY185E, GLY35F, GLY40F, GLY45E, GLY45F, GLY48E, GLY48F, GLY59E, GLY61E, GLY77F, GLY98F, HIS146F, ILE128F, ILE150F, ILE159E, ILE188E, ILE42E, ILE42F, LEU127F, LEU148F, LEU149F, LEU174E, LEU175E, LEU180E, LEU37E, LEU41E, LEU41F, LEU51E, LEU51F, LEU82E, LEU90E, LYS102F, LYS184E, LYS52E, LYS52F, LYS79E, LYS79F, LYS81E, MET44E, MET44F, PHE54E, PRO131F, PRO147F, PRO151F, SER100F, SER187E, SER38E, SER38F, THR10E, THR76F, THR89E, TYR12E, TYR43E, TYR43F, TYR60E, VAL142F, VAL33F, VAL36F, VAL56E, VAL83E
• E-G: ALA53E, ALA53G, ARG163E, ARG163G, GLU49E, GLU49G, GLY45E, GLY45G, LEU51E, LEU51G, TYR43E, TYR43G
• E-H: ALA141E, ALA143E, ALA145E, ALA183H, ALA53H, ALA80H, ALA88H, ARG152E, ARG158H, ARG163E, ARG163H, ARG167H, ARG57H, ARG78E, ARG78H, ARG86H, ASN46E, ASN47E, ASN47H, ASN55H, ASP125E, ASP126E, ASP129E, ASP144E, ASP171H, ASP181H, ASP32E, ASP34E, ASP39E, ASP39H, ASP58H, ASP85H, CYS11H, CYS170H, CYS64H, CYS87H, GLN186H, GLN99E, GLU168H, GLU49E, GLU49H, GLU50E, GLU50H, GLU84H, GLY124E, GLY13H, GLY161E, GLY161H, GLY162H, GLY164H, GLY185H, GLY35E, GLY40E, GLY45E, GLY48E, GLY48H, GLY59H, GLY61H, GLY77E, HIS146E, ILE128E, ILE150E, ILE159H, ILE188H, ILE42E, ILE42H, LEU127E, LEU148E, LEU149E, LEU172H, LEU174H, LEU175H, LEU180H, LEU37H, LEU41E, LEU41H, LEU51E, LEU51H, LEU82H, LEU90H, LYS102E, LYS184H, LYS52E, LYS52H, LYS79H, LYS81H, MET44E, MET44H, PHE54H, PRO131E, PRO147E, PRO151E, SER100E, SER187H, SER38E, SER38H, THR10H, THR76E, THR89H, TYR12H, TYR43E, TYR43H, TYR60H, VAL142E, VAL33E, VAL36E, VAL56H, VAL83H
• F-G: ALA141G, ALA143G, ALA145G, ALA183F, ALA53F, ALA80F, ALA88F, ARG152G, ARG158F, ARG163F, ARG163G, ARG167F, ARG57F, ARG78F, ARG78G, ARG86F, ASN46G, ASN47F, ASN47G, ASN55F, ASP125G, ASP126G, ASP129G, ASP144G, ASP171F, ASP181F, ASP32G, ASP34G, ASP39F, ASP39G, ASP58F, ASP85F, CYS11F, CYS170F, CYS64F, CYS87F, GLN186F, GLN99G, GLU168F, GLU49F, GLU49G, GLU50F, GLU50G, GLU84F, GLY124G, GLY13F, GLY161F, GLY161G, GLY162F, GLY164F, GLY185F, GLY35G, GLY40G, GLY45G, GLY48F, GLY48G, GLY59F, GLY61F, GLY77G, HIS146G, ILE128G, ILE150G, ILE159F, ILE188F, ILE42F, ILE42G, LEU127G, LEU148G, LEU149G, LEU172F, LEU174F, LEU175F, LEU180F, LEU37F, LEU41F, LEU41G, LEU51F, LEU51G, LEU82F, LEU90F, LYS102G, LYS184F, LYS52F, LYS52G, LYS79F, LYS81F, MET44F, MET44G, PHE54F, PRO131G, PRO147G, PRO151G, SER100G, SER187F, SER38F, SER38G, THR10F, THR76G, THR89F, TYR12F, TYR43F, TYR43G, TYR60F, VAL142G, VAL33G, VAL36G, VAL56F, VAL83F
• F-H: ALA53F, ALA53H, ARG163F, ARG163H, GLU49F, GLU49H, LEU41F, LEU41H, LEU51F, LEU51H, TYR43F, TYR43H
• G-H: ALA141H, ALA143H, ALA145H, ALA183G, ALA53G, ALA80G, ALA88G, ARG152H, ARG158G, ARG163G, ARG163H, ARG167G, ARG57G, ARG63G, ARG78G, ARG78H, ARG86G, ASN101H, ASN46H, ASN47G, ASN47H, ASN55G, ASP125H, ASP126H, ASP129H, ASP144H, ASP171G, ASP181G, ASP32H, ASP34H, ASP39G, ASP39H, ASP58G, ASP85G, CYS11G, CYS170G, CYS64G, CYS87G, GLN186G, GLN99H, GLU168G, GLU49G, GLU49H, GLU50G, GLU50H, GLU84G, GLY124H, GLY13G, GLY161G, GLY161H, GLY162G, GLY164G, GLY185G, GLY35H, GLY40H, GLY45H, GLY48G, GLY48H, GLY59G, GLY61G, GLY77H, GLY98H, HIS146H, ILE128H, ILE150H, ILE159G, ILE188G, ILE42G, ILE42H, LEU127H, LEU148H, LEU149H, LEU172G, LEU174G, LEU175G, LEU180G, LEU37G, LEU41G, LEU41H, LEU51G, LEU51H, LEU82G, LEU90G, LYS102H, LYS184G, LYS52G, LYS52H, LYS79G, LYS79H, LYS81G, MET44G, MET44H, PHE54G, PRO131H, PRO147H, PRO151H, SER100H, SER187G, SER38G, SER38H, THR10G, THR76H, THR89G, TRP130H, TYR12G, TYR43G, TYR43H, TYR60G, VAL142H, VAL33H, VAL36H, VAL56G, VAL83G