3TOY

crystal structure of enolase brado_4202 (target efi-501651) from bradyrhizobium sp. ors278 with calcium and acetate bound

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 171
  • Norm. En. per Res.: -3.5682
• Hub Node: A(2)

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	-52.0322	-62.6586	-195.891	-310.5818	116	6	6	8587	2	12	13
A-C	0.0	-21.0235	-20.6141	-41.6376	44	0	0	1481	0	18	17
B-C	-82.6416	-96.0205	-431.498	-610.1601	171	15	13	18894	8	43	34
B-D	-8.5044	-54.0602	-24.879	-87.4436	45	3	0	1619	3	18	17
C-D	-31.0319	-65.3749	-190.066	-286.4728	119	4	7	8571	2	12	13

Interface residues

• A-B: ALA119A, ALA119B, ALA131A, ALA131B, ALA257A, ALA257B, ALA261A, ALA261B, ALA285A, ALA285B, ALA288A, ALA288B, ALA290A, ALA290B, ALA291A, ALA291B, ALA314A, ALA314B, ALA4A, ALA4B, ALA77A, ALA77B, ARG132A, ARG132B, ARG254A, ARG254B, ASN283A, ASN283B, ASP289A, ASP289B, ASP82A, ASP82B, GLN287A, GLN287B, GLN43A, GLN43B, GLU125A, GLU125B, GLU258A, GLU258B, GLY120B, GLY128A, GLY128B, GLY129A, GLY129B, GLY280A, GLY280B, GLY286A, GLY286B, ILE260A, ILE260B, ILE293A, ILE293B, LEU115A, LEU115B, LEU118A, LEU118B, LEU126A, LEU126B, LEU127A, LEU127B, LEU282A, LEU282B, LEU308A, LEU308B, LEU78A, LEU78B, LEU83A, LEU83B, LYS121A, LYS121B, LYS85A, LYS85B, MET84A, MET84B, PHE252B, PHE256A, PHE256B, PRO122A, PRO122B, PRO253A, PRO253B, PRO309A, PRO309B, PRO312A, PRO312B, PRO80A, PRO80B, SER130A, SER130B, SER292A, SER292B, THR279A, THR279B, THR2A, THR2B, THR311A, THR311B, THR313A, THR313B, THR3A, THR3B, TRP112A, TRP112B, VAL124A, VAL124B, VAL284A, VAL284B, VAL307A, VAL307B, VAL310A, VAL310B, VAL79A, VAL79B, VAL81A, VAL81B
• A-C: ALA174C, ALA204C, ALA211C, ALA235C, ALA290A, ALA291A, ALA314A, ARG208C, ARG212C, ARG237A, ARG239A, ARG239C, ASN229C, ASP190A, ASP202C, ASP217A, ASP266A, ASP289A, GLU205C, GLU238A, GLU238C, GLU241A, GLU241C, GLY232C, HIS233C, HIS315A, ILE242A, ILE293A, LEU173C, LEU218A, PHE267A, PRO189A, PRO203C, PRO226C, PRO243A, PRO294A, SER231C, SER240A, SER292A, THR207C, THR219A, THR313A, VAL225C, VAL236C
• B-C: ALA103B, ALA103C, ALA234B, ALA234C, ALA257B, ALA257C, ALA259B, ALA259C, ALA25B, ALA25C, ALA261B, ALA261C, ALA262B, ALA262C, ALA264B, ALA53B, ALA53C, ALA58B, ALA58C, ALA86B, ALA86C, ALA89B, ALA89C, ARG23B, ARG23C, ARG254B, ARG254C, ARG56B, ARG56C, ARG71B, ARG71C, ARG92B, ARG92C, ASN198B, ASN198C, ASN229B, ASN229C, ASN249B, ASN249C, ASN24B, ASN24C, ASP196B, ASP196C, ASP202B, ASP202C, ASP68B, ASP68C, ASP88B, ASP88C, GLN199B, GLN199C, GLN227B, GLN227C, GLN97B, GLN97C, GLU223B, GLU223C, GLU228B, GLU228C, GLU248B, GLU248C, GLU258B, GLU258C, GLU67B, GLU67C, GLU72B, GLU72C, GLY101B, GLY101C, GLY232B, GLY232C, GLY255B, GLY255C, GLY27B, GLY27C, GLY70B, GLY70C, GLY95B, GLY95C, GLY98B, GLY98C, HIS233B, HIS233C, HIS298B, HIS298C, HIS64B, HIS64C, ILE29B, ILE29C, ILE69B, ILE69C, LEU201B, LEU201C, LEU22B, LEU22C, LEU230B, LEU230C, LEU51B, LEU57B, LEU57C, LEU59B, LEU59C, LEU62B, LEU62C, LEU65B, LEU65C, LEU93B, LEU93C, LEU94B, LEU94C, LEU99B, LEU99C, LYS167B, LYS167C, LYS274B, LYS274C, LYS60B, LYS60C, LYS85B, LYS85C, LYS90B, LYS90C, MET102B, MET102C, MET273B, MET273C, PHE197B, PHE197C, PHE252B, PHE252C, PHE26B, PHE26C, PHE52B, PHE52C, PHE91B, PHE91C, PRO203B, PRO203C, PRO226B, PRO226C, PRO253C, PRO33B, PRO33C, PRO61B, PRO61C, SER200B, SER200C, SER231B, SER231C, THR360B, THR360C, THR55B, THR55C, TRP250B, TRP250C, TRP251B, TRP251C, TRP96B, TRP96C, TYR54B, TYR54C, VAL100B, VAL100C, VAL225B, VAL225C, VAL28B, VAL28C, VAL63B, VAL63C, VAL66B, VAL66C
• B-D: ALA174B, ALA204B, ALA211B, ALA235B, ALA290D, ALA291D, ALA314D, ARG208B, ARG212B, ARG237D, ARG239B, ARG239D, ASN229B, ASP190D, ASP202B, ASP217D, ASP266D, ASP289D, GLU205B, GLU238B, GLU238D, GLU241D, GLY232B, HIS233B, HIS315D, ILE242D, ILE244D, ILE293D, LEU173B, LEU218D, PHE267D, PRO189D, PRO203B, PRO226B, PRO243D, PRO294D, SER231B, SER240D, SER292D, THR207B, THR219D, THR313D, VAL225B, VAL236B, VAL236D
• C-D: ALA119C, ALA119D, ALA131C, ALA131D, ALA257C, ALA257D, ALA261C, ALA261D, ALA285C, ALA285D, ALA288C, ALA288D, ALA290C, ALA290D, ALA291C, ALA291D, ALA314C, ALA314D, ALA4C, ALA4D, ALA77C, ALA77D, ARG132C, ARG132D, ARG254C, ARG254D, ASN283C, ASN283D, ASP289C, ASP289D, ASP82C, ASP82D, GLN287C, GLN287D, GLN43C, GLN43D, GLU125C, GLU125D, GLU258C, GLU258D, GLY116C, GLY120C, GLY120D, GLY128C, GLY128D, GLY129C, GLY129D, GLY280C, GLY280D, GLY286C, GLY286D, ILE260C, ILE260D, ILE293C, ILE293D, LEU115C, LEU115D, LEU118C, LEU118D, LEU126C, LEU126D, LEU127C, LEU127D, LEU282C, LEU282D, LEU308C, LEU308D, LEU78C, LEU78D, LEU83C, LEU83D, LYS121C, LYS121D, LYS85C, LYS85D, MET84C, MET84D, PHE252C, PHE252D, PHE256C, PHE256D, PRO122C, PRO122D, PRO253C, PRO253D, PRO309C, PRO309D, PRO312C, PRO312D, PRO80C, PRO80D, SER130C, SER130D, SER292C, SER292D, THR279C, THR279D, THR2C, THR2D, THR311C, THR311D, THR313C, THR313D, THR3C, THR3D, TRP112C, TRP112D, VAL124C, VAL124D, VAL284C, VAL284D, VAL307C, VAL307D, VAL310C, VAL310D, VAL79C, VAL79D, VAL81C, VAL81D