3UJ2

crystal structure of an enolase from anaerostipes caccae (efi target efi-502054) with bound mg and sulfate

• Total interactions analyzed: 28
• Total true interactions: 15
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 181
  • Norm. En. per Res.: -4.4581
• Hub Node: A(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	-199.4661	-76.4645	-509.652	-785.5826	180	35	12	19782	11	104	106
A-C	0.0	0.0	-0.0047	-0.0047	4	0	0	3	0	1	1
A-E	0.0	0.0	-0.0602	-0.0602	5	0	0	18	0	1	1
A-F	-123.58	31.0998	-312.262	-404.7422	151	18	11	12943	6	10	38
B-C	-119.6055	36.8095	-306.172	-388.968	149	15	11	13022	6	10	38
B-D	0.0	0.0	-0.0575	-0.0575	5	0	0	19	0	1	1
B-F	0.0	0.0	-0.003	-0.003	2	0	0	2	0	1	1
C-D	-205.2184	-96.6485	-505.058	-806.9249	181	33	12	19702	12	105	104
C-G	0.0	0.0	-0.0006	-0.0006	2	0	0	2	0	1	1
D-G	-125.2276	26.2372	-307.816	-406.8063	150	19	11	13002	6	10	38
E-F	-199.3725	-93.5339	-478.712	-771.6183	182	42	12	19744	12	104	104
E-G	0.0	0.0	-0.0621	-0.0621	5	0	0	19	0	1	1
E-H	-98.899	30.3335	-303.739	-372.3045	150	16	11	12819	6	10	38
F-H	0.0	0.0	-0.0082	-0.0082	4	0	0	5	0	1	1
G-H	-188.6461	-92.6243	-495.375	-776.6454	180	37	11	19680	11	103	104

Interface residues

• A-B: ALA156B, ALA158A, ALA158B, ALA159A, ALA159B, ALA192B, ALA201A, ALA201B, ALA211A, ALA211B, ALA231A, ALA231B, ALA25A, ALA25B, ALA395A, ALA395B, ALA403A, ALA403B, ARG12A, ARG12B, ARG178A, ARG178B, ARG182A, ARG182B, ARG18A, ARG18B, ARG36A, ARG36B, ARG398A, ARG398B, ARG401A, ARG401B, ARG410A, ARG410B, ARG60A, ARG60B, ASN153A, ASN153B, ASN20A, ASN20B, ASN406A, ASN406B, ASN74A, ASN74B, ASP16A, ASP16B, ASP206A, ASP206B, ASP376A, ASP376B, ASP55A, ASP55B, ASP57A, ASP57B, CYS184A, CYS184B, GLN183A, GLN183B, GLN407A, GLN407B, GLU13A, GLU13B, GLU179A, GLU179B, GLU186A, GLU186B, GLU24A, GLU24B, GLU26A, GLU26B, GLU373A, GLU373B, GLU375A, GLU375B, GLU400A, GLU400B, GLU413A, GLU413B, GLU414A, GLU414B, GLY11A, GLY11B, GLY199A, GLY199B, GLY19A, GLY19B, GLY205A, GLY205B, GLY208A, GLY208B, GLY209A, GLY209B, GLY232A, GLY372A, GLY372B, GLY59A, GLY59B, GLY62A, GLY62B, GLY63A, GLY63B, GLY65A, GLY65B, HIS157A, HIS157B, HIS189A, HIS189B, ILE10A, ILE10B, ILE14A, ILE14B, ILE15A, ILE15B, ILE411A, ILE411B, LEU181A, LEU181B, LEU200A, LEU200B, LEU409A, LEU409B, LYS196A, LYS196B, LYS404A, LYS404B, LYS58A, LYS58B, LYS64A, LYS64B, MET149A, MET149B, PHE177A, PHE177B, PHE188A, PHE188B, PHE210A, PHE210B, PHE61A, PHE61B, PRO212A, PRO21A, PRO21B, PRO396A, PRO396B, SER17A, SER17B, SER203A, SER203B, SER397A, SER397B, SER399A, SER399B, THR185A, THR185B, THR202A, THR202B, THR22A, THR22B, THR374A, THR374B, THR377A, THR377B, THR38A, THR38B, THR67A, THR67B, TYR233A, TYR233B, TYR28A, TYR28B, TYR405A, TYR405B, VAL204A, VAL204B, VAL402A, VAL402B, VAL66A, VAL66B, VAL70A, VAL70B
• A-C: ALA30A, ASN2C, GLY31A, GLY32A
• A-E: ALA30E, ASN2A, GLU7E, GLY31E, GLY32E
• A-F: ALA121A, ALA121F, ALA124A, ALA124F, ALA125A, ALA125F, ALA126F, ALA127A, ALA127F, ALA141A, ALA141F, ALA354A, ALA354F, ALA358A, ALA358F, ALA361A, ALA361F, ALA365A, ALA365F, ALA385A, ALA385F, ALA419A, ALA419F, ALA86A, ALA86F, ALA91A, ALA91F, ARG134A, ARG134F, ARG143A, ARG143F, ARG333A, ARG333F, ARG94A, ARG94F, ASN140A, ASN140F, ASN142A, ASN142F, ASN387A, ASN387F, ASP309A, ASP309F, ASP417A, ASP417F, ASP85A, ASP85F, ASP88A, ASP88F, ASP93A, ASP93F, ASP98A, ASP98F, GLN312A, GLN312F, GLN390A, GLN390F, GLU350A, GLU350F, GLU353A, GLU353F, GLU414A, GLU414F, GLY129A, GLY129F, GLY137A, GLY137F, GLY138A, GLY138F, GLY362A, GLY362F, GLY389A, GLY389F, GLY416A, GLY416F, HIS359A, HIS359F, ILE355A, ILE355F, ILE89A, ILE89F, LEU128A, LEU128F, LEU132A, LEU132F, LEU136A, LEU136F, LEU139A, LEU139F, LEU352A, LEU352F, LEU382A, LEU382F, LEU386A, LEU386F, LEU415A, LEU415F, LEU4A, LEU4F, LYS356A, LYS356F, LYS360A, LYS360F, MET357A, MET357F, PHE135A, PHE135F, PHE424A, PHE424F, PHE427A, PHE427F, PRO131A, PRO131F, PRO422A, PRO422F, SER117A, SER117F, SER349A, SER349F, SER418A, SER418F, SER87A, SER87F, THR351A, THR351F, THR364A, THR364F, THR388A, THR388F, THR425A, THR425F, THR426A, THR426F, TYR133A, TYR133F, TYR363A, TYR363F, TYR3A, TYR3F, TYR90A, TYR90F, VAL130A, VAL130F, VAL348A, VAL348F, VAL384A, VAL384F, VAL420A, VAL420F, VAL92A, VAL92F
• B-C: ALA121B, ALA121C, ALA124B, ALA124C, ALA125B, ALA125C, ALA127B, ALA127C, ALA141B, ALA141C, ALA354B, ALA354C, ALA358B, ALA358C, ALA361B, ALA361C, ALA365B, ALA365C, ALA385B, ALA385C, ALA419B, ALA419C, ALA86B, ALA86C, ALA91B, ALA91C, ARG134B, ARG134C, ARG143B, ARG143C, ARG333B, ARG333C, ARG94B, ARG94C, ASN140B, ASN140C, ASN142B, ASN142C, ASN387B, ASN387C, ASP309B, ASP309C, ASP417B, ASP417C, ASP85B, ASP85C, ASP88B, ASP88C, ASP93B, ASP93C, ASP98B, ASP98C, GLN312B, GLN312C, GLN390B, GLN390C, GLU350B, GLU350C, GLU353B, GLU353C, GLU414B, GLU414C, GLY129B, GLY129C, GLY137B, GLY137C, GLY138B, GLY138C, GLY362B, GLY362C, GLY389B, GLY389C, GLY416B, GLY416C, HIS359B, HIS359C, ILE355B, ILE355C, ILE89B, ILE89C, LEU128B, LEU128C, LEU132B, LEU132C, LEU136B, LEU136C, LEU139B, LEU139C, LEU352B, LEU352C, LEU382B, LEU382C, LEU386B, LEU386C, LEU415B, LEU415C, LEU4B, LEU4C, LYS310B, LYS356B, LYS356C, LYS360B, LYS360C, MET357B, MET357C, PHE135B, PHE135C, PHE424C, PHE427B, PHE427C, PRO131B, PRO131C, PRO422B, PRO422C, SER117B, SER117C, SER349B, SER349C, SER418B, SER418C, SER87B, SER87C, THR351B, THR351C, THR364B, THR364C, THR388B, THR388C, THR425B, THR425C, THR426B, THR426C, TYR133B, TYR133C, TYR363B, TYR363C, TYR3B, TYR3C, TYR90B, TYR90C, VAL130B, VAL130C, VAL348B, VAL348C, VAL384C, VAL420B, VAL420C, VAL92B, VAL92C
• B-D: ALA30D, ASN2B, GLU7D, GLY31D, GLY32D
• B-F: ASN2F, GLY32B
• C-D: ALA156C, ALA158C, ALA158D, ALA159C, ALA159D, ALA201C, ALA201D, ALA211C, ALA211D, ALA231C, ALA231D, ALA25C, ALA25D, ALA395C, ALA395D, ALA403C, ALA403D, ARG12C, ARG12D, ARG178C, ARG178D, ARG182C, ARG182D, ARG18C, ARG18D, ARG36C, ARG36D, ARG398C, ARG398D, ARG401C, ARG401D, ARG410C, ARG410D, ARG60C, ARG60D, ASN153C, ASN153D, ASN20C, ASN20D, ASN406C, ASN406D, ASN74C, ASN74D, ASP16C, ASP16D, ASP206C, ASP206D, ASP376C, ASP376D, ASP55C, ASP55D, ASP57C, ASP57D, CYS184C, CYS184D, GLN183C, GLN183D, GLN407C, GLN407D, GLN71C, GLU13C, GLU13D, GLU179C, GLU179D, GLU186C, GLU186D, GLU24C, GLU24D, GLU26C, GLU26D, GLU373C, GLU373D, GLU375C, GLU375D, GLU400C, GLU400D, GLU413C, GLU413D, GLU414C, GLU414D, GLY11C, GLY11D, GLY199C, GLY199D, GLY19C, GLY19D, GLY205C, GLY205D, GLY208C, GLY208D, GLY209C, GLY209D, GLY232C, GLY372C, GLY372D, GLY59C, GLY59D, GLY62C, GLY62D, GLY63C, GLY63D, GLY65C, GLY65D, HIS157C, HIS157D, HIS189C, HIS189D, ILE10C, ILE10D, ILE14C, ILE14D, ILE15C, ILE15D, ILE411C, ILE411D, LEU181C, LEU181D, LEU200C, LEU200D, LEU409C, LEU409D, LYS196C, LYS196D, LYS404C, LYS404D, LYS58C, LYS58D, LYS64C, LYS64D, MET149C, MET149D, PHE177C, PHE177D, PHE188C, PHE188D, PHE210C, PHE210D, PHE61C, PHE61D, PRO212C, PRO21C, PRO21D, PRO396C, PRO396D, SER17C, SER17D, SER203C, SER203D, SER397C, SER397D, SER399C, SER399D, THR185C, THR185D, THR202C, THR202D, THR22C, THR22D, THR374C, THR374D, THR377C, THR377D, THR38C, THR38D, THR67C, THR67D, TYR233C, TYR233D, TYR28C, TYR28D, TYR405C, TYR405D, VAL187D, VAL204C, VAL204D, VAL402C, VAL402D, VAL66C, VAL66D, VAL70C, VAL70D
• C-G: ASN2G, GLY32C
• D-G: ALA121D, ALA121G, ALA124D, ALA124G, ALA125D, ALA125G, ALA126D, ALA127D, ALA127G, ALA141D, ALA141G, ALA354D, ALA354G, ALA358D, ALA358G, ALA361D, ALA361G, ALA365D, ALA365G, ALA385D, ALA385G, ALA419D, ALA419G, ALA86D, ALA86G, ALA91D, ALA91G, ARG134D, ARG134G, ARG143D, ARG143G, ARG333D, ARG333G, ARG94D, ARG94G, ASN140D, ASN140G, ASN142D, ASN142G, ASN327D, ASN387D, ASN387G, ASP309D, ASP309G, ASP417D, ASP417G, ASP85D, ASP85G, ASP88D, ASP88G, ASP93D, ASP93G, ASP98D, ASP98G, GLN312D, GLN312G, GLN390D, GLN390G, GLU350G, GLU353D, GLU353G, GLU414D, GLU414G, GLY129D, GLY129G, GLY137D, GLY137G, GLY138D, GLY138G, GLY362D, GLY362G, GLY389D, GLY389G, GLY416D, GLY416G, HIS359D, HIS359G, ILE355D, ILE355G, ILE89D, ILE89G, LEU128D, LEU128G, LEU132D, LEU132G, LEU136D, LEU136G, LEU139D, LEU139G, LEU352D, LEU352G, LEU382D, LEU382G, LEU386D, LEU386G, LEU415D, LEU415G, LEU4D, LEU4G, LYS356D, LYS356G, LYS360D, LYS360G, MET357D, MET357G, PHE135D, PHE135G, PHE424G, PHE427D, PHE427G, PRO131D, PRO131G, PRO422D, PRO422G, SER117D, SER117G, SER349D, SER349G, SER418D, SER418G, SER87D, SER87G, THR323D, THR351G, THR364D, THR364G, THR388D, THR388G, THR425D, THR425G, THR426D, THR426G, TYR133D, TYR133G, TYR363D, TYR363G, TYR3D, TYR3G, TYR90D, TYR90G, VAL130D, VAL130G, VAL348D, VAL348G, VAL384D, VAL384G, VAL420D, VAL420G, VAL92D, VAL92G
• E-F: ALA156E, ALA156F, ALA158E, ALA158F, ALA159E, ALA159F, ALA192F, ALA201E, ALA201F, ALA211E, ALA211F, ALA231E, ALA231F, ALA25E, ALA25F, ALA395E, ALA395F, ALA403E, ALA403F, ARG12E, ARG12F, ARG178E, ARG178F, ARG182E, ARG182F, ARG18E, ARG18F, ARG36E, ARG36F, ARG398E, ARG398F, ARG401E, ARG401F, ARG410E, ARG410F, ARG60E, ARG60F, ASN153E, ASN153F, ASN20E, ASN20F, ASN406E, ASN406F, ASN74E, ASN74F, ASP16E, ASP16F, ASP206E, ASP206F, ASP376E, ASP376F, ASP55E, ASP55F, ASP57E, ASP57F, CYS184E, CYS184F, GLN183E, GLN183F, GLN407E, GLN407F, GLN71E, GLN71F, GLU13E, GLU13F, GLU179E, GLU179F, GLU186E, GLU186F, GLU24E, GLU24F, GLU26E, GLU26F, GLU373E, GLU373F, GLU375E, GLU375F, GLU400E, GLU400F, GLU413E, GLU413F, GLU414E, GLU414F, GLY11E, GLY11F, GLY199E, GLY199F, GLY19E, GLY19F, GLY205E, GLY205F, GLY208E, GLY208F, GLY209E, GLY209F, GLY372E, GLY372F, GLY59E, GLY59F, GLY62E, GLY62F, GLY63E, GLY63F, GLY65E, GLY65F, HIS157E, HIS157F, HIS189E, HIS189F, ILE10E, ILE10F, ILE14E, ILE14F, ILE15E, ILE15F, ILE411E, ILE411F, LEU181E, LEU181F, LEU200E, LEU200F, LEU409E, LEU409F, LYS196E, LYS196F, LYS404E, LYS404F, LYS58E, LYS58F, LYS64E, LYS64F, MET149E, MET149F, PHE177E, PHE177F, PHE188E, PHE188F, PHE210E, PHE210F, PHE61E, PHE61F, PRO212E, PRO21E, PRO21F, PRO396E, PRO396F, SER17E, SER17F, SER203E, SER203F, SER397E, SER397F, SER399E, SER399F, THR185E, THR185F, THR202E, THR202F, THR22E, THR22F, THR374E, THR374F, THR377E, THR377F, THR38E, THR38F, THR67E, THR67F, TYR233E, TYR233F, TYR28E, TYR28F, TYR405E, TYR405F, VAL204E, VAL204F, VAL402E, VAL402F, VAL66E, VAL66F, VAL70E, VAL70F
• E-G: ALA30G, ASN2E, GLU7G, GLY31G, GLY32G
• E-H: ALA121E, ALA121H, ALA124E, ALA124H, ALA125E, ALA125H, ALA127E, ALA127H, ALA141E, ALA141H, ALA354E, ALA354H, ALA358E, ALA358H, ALA361E, ALA361H, ALA365E, ALA365H, ALA385E, ALA385H, ALA419E, ALA419H, ALA86E, ALA86H, ALA91E, ALA91H, ARG134E, ARG134H, ARG143E, ARG143H, ARG333E, ARG333H, ARG94E, ARG94H, ASN140E, ASN140H, ASN142E, ASN142H, ASN387E, ASN387H, ASP309E, ASP309H, ASP417E, ASP417H, ASP85E, ASP85H, ASP88E, ASP88H, ASP93E, ASP93H, ASP98E, ASP98H, CYS120H, GLN312E, GLN312H, GLN390E, GLN390H, GLU350E, GLU350H, GLU353E, GLU353H, GLU414E, GLU414H, GLY129E, GLY129H, GLY137E, GLY137H, GLY138E, GLY138H, GLY362E, GLY362H, GLY389E, GLY389H, GLY416E, GLY416H, HIS359E, HIS359H, ILE355E, ILE355H, ILE89E, ILE89H, LEU128E, LEU128H, LEU132E, LEU132H, LEU136E, LEU136H, LEU139E, LEU139H, LEU352E, LEU352H, LEU382E, LEU382H, LEU386E, LEU386H, LEU415E, LEU415H, LEU4E, LEU4H, LYS356E, LYS356H, LYS360E, LYS360H, MET357E, MET357H, PHE135E, PHE135H, PHE424E, PHE424H, PHE427E, PHE427H, PRO131E, PRO131H, PRO422E, PRO422H, SER117E, SER117H, SER349E, SER349H, SER418E, SER418H, SER87E, SER87H, THR323H, THR351E, THR351H, THR364E, THR364H, THR388E, THR388H, THR425E, THR425H, THR426E, THR426H, TYR133E, TYR133H, TYR363E, TYR363H, TYR3E, TYR3H, TYR90E, TYR90H, VAL130E, VAL130H, VAL348E, VAL348H, VAL420E, VAL420H, VAL92E, VAL92H
• F-H: ALA30F, ASN2H, GLU7F, GLY32F
• G-H: ALA156G, ALA158G, ALA158H, ALA159G, ALA159H, ALA192G, ALA201G, ALA201H, ALA211G, ALA211H, ALA231G, ALA231H, ALA25G, ALA25H, ALA395G, ALA395H, ALA403G, ALA403H, ARG12G, ARG12H, ARG178G, ARG178H, ARG182G, ARG182H, ARG18G, ARG18H, ARG36G, ARG36H, ARG398G, ARG398H, ARG401G, ARG401H, ARG410G, ARG410H, ARG60G, ARG60H, ASN153G, ASN153H, ASN20G, ASN20H, ASN406G, ASN406H, ASN74G, ASP16G, ASP16H, ASP206G, ASP206H, ASP376G, ASP376H, ASP55G, ASP55H, ASP57G, ASP57H, CYS184G, CYS184H, GLN183G, GLN183H, GLN407G, GLN407H, GLN71H, GLU13G, GLU13H, GLU179G, GLU179H, GLU186G, GLU186H, GLU24G, GLU24H, GLU26G, GLU26H, GLU373G, GLU373H, GLU375G, GLU375H, GLU400G, GLU400H, GLU413G, GLU413H, GLU414G, GLU414H, GLY11G, GLY11H, GLY199G, GLY199H, GLY19G, GLY19H, GLY205G, GLY205H, GLY208G, GLY208H, GLY209G, GLY209H, GLY232G, GLY372G, GLY372H, GLY59G, GLY59H, GLY62G, GLY62H, GLY63G, GLY63H, GLY65G, GLY65H, HIS157G, HIS157H, HIS189G, HIS189H, ILE10G, ILE10H, ILE14G, ILE14H, ILE15G, ILE15H, ILE411G, ILE411H, LEU181G, LEU181H, LEU200G, LEU200H, LEU409G, LEU409H, LYS196G, LYS196H, LYS404G, LYS404H, LYS58G, LYS58H, LYS64G, LYS64H, MET149G, MET149H, PHE177G, PHE177H, PHE188G, PHE188H, PHE210G, PHE210H, PHE61G, PHE61H, PRO212G, PRO21G, PRO21H, PRO396G, PRO396H, SER17G, SER17H, SER203G, SER203H, SER397G, SER397H, SER399G, SER399H, THR185G, THR185H, THR202G, THR202H, THR22G, THR22H, THR374G, THR374H, THR377G, THR377H, THR38G, THR38H, THR67G, THR67H, TYR233G, TYR233H, TYR28G, TYR28H, TYR405G, TYR405H, VAL204G, VAL204H, VAL402G, VAL402H, VAL66G, VAL66H, VAL70G, VAL70H