3SWX

crystal structure of a probable enoyl-coa hydratase/isomerase from mycobacterium abscessus

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 156
  • Norm. En. per Res.: -3.497
• 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	-44.5527	-57.0768	-443.904	-545.5335	156	9	19	18751	7	30	29
A-C	-35.7182	-55.9089	-448.141	-539.768	159	9	19	18946	7	29	32
B-C	-34.0923	-56.4971	-479.924	-570.5134	168	10	23	20374	7	30	30

Interface residues

• A-B: ALA117A, ALA119A, ALA120A, ALA146B, ALA154A, ALA154B, ALA159B, ALA166B, ALA174A, ALA193A, ALA195A, ALA197A, ALA201A, ALA204A, ALA210A, ALA215A, ALA218A, ALA224A, ALA225A, ALA226A, ALA243A, ALA249A, ALA256A, ALA52A, ALA72B, ALA79B, ARG138B, ARG149A, ARG149B, ARG152A, ARG152B, ARG161B, ARG176A, ARG176B, ARG202A, ARG213A, ARG216A, ARG216B, ARG220A, ARG220B, ARG235A, ARG51A, ARG95B, ASN137B, ASN158B, ASN214A, ASN88B, ASP121A, ASP167B, ASP223A, ASP242A, ASP93B, GLN133B, GLN181A, GLN198A, GLN203A, GLN209A, GLN229A, GLN248A, GLN76B, GLN91B, GLN96A, GLN96B, GLU115B, GLU135B, GLU173B, GLU182A, GLU221A, GLU221B, GLU227A, GLU228A, GLU236A, GLU241A, GLU74B, GLY139B, GLY144B, GLY145B, GLY155A, GLY155B, GLY157B, GLY178A, GLY207A, GLY222A, GLY246A, GLY77B, GLY78B, GLY94B, HIS175A, ILE122A, ILE124A, ILE140B, ILE148B, ILE177A, ILE177B, ILE179A, ILE183A, ILE196A, ILE200A, ILE75B, LEU101A, LEU102A, LEU118A, LEU134B, LEU164B, LEU206A, LEU212A, LEU217A, LEU230A, LEU237A, LEU245A, LEU66B, LEU68B, LEU81B, LEU97A, LYS99A, MET160B, MET163B, PHE143B, PHE150B, PHE238A, PHE250A, PHE258A, PRO100A, PRO142B, PRO151B, PRO205A, PRO232A, SER240A, SER80B, THR147B, THR153A, THR153B, THR165B, THR168B, THR192A, THR199A, THR211A, THR233A, THR239A, THR244A, THR255A, TRP156B, TRP162B, TRP90B, TYR141B, VAL123A, VAL136B, VAL172A, VAL180A, VAL208A, VAL219A, VAL219B, VAL231A, VAL234A, VAL247A, VAL92B
• A-C: ALA117C, ALA119C, ALA120C, ALA146A, ALA154A, ALA154C, ALA159A, ALA166A, ALA174C, ALA193C, ALA195C, ALA197C, ALA201C, ALA204C, ALA210C, ALA215C, ALA218C, ALA224C, ALA225C, ALA226C, ALA243C, ALA249C, ALA256C, ALA52C, ALA72A, ALA79A, ARG138A, ARG149A, ARG149C, ARG152A, ARG152C, ARG161A, ARG176A, ARG176C, ARG202C, ARG213C, ARG216A, ARG216C, ARG220A, ARG220C, ARG235C, ARG261C, ARG51C, ARG95A, ASN137A, ASN158A, ASN214C, ASN88A, ASP121C, ASP167A, ASP223C, ASP242C, ASP93A, GLN133A, GLN181C, GLN198C, GLN203C, GLN209C, GLN229C, GLN248C, GLN76A, GLN91A, GLN96A, GLN96C, GLU115A, GLU135A, GLU173A, GLU182C, GLU221A, GLU221C, GLU227C, GLU228C, GLU236C, GLU241C, GLU74A, GLY139A, GLY144A, GLY145A, GLY155A, GLY155C, GLY157A, GLY178C, GLY207C, GLY222C, GLY246C, GLY260C, GLY94A, HIS175C, ILE122C, ILE124C, ILE140A, ILE148A, ILE177A, ILE177C, ILE179C, ILE183C, ILE196C, ILE200C, ILE75A, LEU101C, LEU102C, LEU118C, LEU134A, LEU164A, LEU206C, LEU212C, LEU217C, LEU230C, LEU237C, LEU245C, LEU251C, LEU66A, LEU68A, LEU81A, LEU97C, LYS99C, MET160A, MET163A, PHE143A, PHE150A, PHE238C, PHE250C, PHE258C, PRO100C, PRO142A, PRO151A, PRO205C, PRO232C, SER240C, SER80A, THR147A, THR153A, THR153C, THR165A, THR168A, THR192C, THR199C, THR211C, THR233C, THR239C, THR244C, THR254C, THR255C, TRP156A, TRP162A, TRP90A, TYR141A, VAL123C, VAL136A, VAL172C, VAL180C, VAL208C, VAL219A, VAL219C, VAL231C, VAL234C, VAL247C, VAL71A, VAL92A
• B-C: ALA117B, ALA119B, ALA120B, ALA146C, ALA154B, ALA154C, ALA159C, ALA166C, ALA174B, ALA193B, ALA195B, ALA197B, ALA201B, ALA204B, ALA210B, ALA215B, ALA218B, ALA224B, ALA225B, ALA226B, ALA243B, ALA249B, ALA256B, ALA28C, ALA52B, ALA64C, ALA69C, ALA72C, ALA73C, ALA79C, ARG138C, ARG149B, ARG149C, ARG152B, ARG152C, ARG161C, ARG176B, ARG176C, ARG202B, ARG213B, ARG216B, ARG216C, ARG220B, ARG220C, ARG235B, ARG26C, ARG51B, ARG95C, ASN137C, ASN158C, ASN214B, ASN88C, ASP121B, ASP167C, ASP223B, ASP242B, ASP67C, ASP93C, GLN133C, GLN181B, GLN198B, GLN203B, GLN209B, GLN229B, GLN248B, GLN76C, GLN91C, GLN96B, GLN96C, GLU115C, GLU135C, GLU173C, GLU182B, GLU221B, GLU221C, GLU227B, GLU228B, GLU236B, GLU241B, GLU74C, GLY139C, GLY144C, GLY145C, GLY155B, GLY155C, GLY157C, GLY178B, GLY207B, GLY222B, GLY246B, GLY65C, GLY77C, GLY78C, GLY94C, HIS175B, ILE122B, ILE124B, ILE140C, ILE148C, ILE177B, ILE177C, ILE179B, ILE183B, ILE196B, ILE200B, ILE75C, LEU101B, LEU102B, LEU110C, LEU118B, LEU134C, LEU164C, LEU206B, LEU212B, LEU217B, LEU230B, LEU237B, LEU245B, LEU251B, LEU66C, LEU68C, LEU81C, LEU97B, LYS99B, MET160C, MET163C, PHE143C, PHE150C, PHE238B, PHE250B, PHE258B, PRO100B, PRO142C, PRO151C, PRO205B, PRO232B, SER240B, SER70C, SER80C, THR147C, THR153B, THR153C, THR165C, THR168C, THR192B, THR199B, THR211B, THR233B, THR239B, THR244B, THR254B, THR255B, TRP156C, TRP162C, TRP90C, TYR141C, VAL123B, VAL136C, VAL172B, VAL180B, VAL208B, VAL219B, VAL219C, VAL231B, VAL234B, VAL247B, VAL71C, VAL92C