3H81

crystal structure of enoyl-coa hydratase from mycobacterium tuberculosis

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 174
  • Norm. En. per Res.: -5.3033
• 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	-129.2197	-113.5619	-596.942	-839.7236	172	26	29	23701	7	44	37
A-C	-119.1035	-111.6018	-667.741	-898.4463	177	22	34	26402	8	47	42
B-C	-125.0561	-114.3163	-683.397	-922.7694	174	24	34	26541	8	45	42

Interface residues

• A-B: ALA102A, ALA106A, ALA112A, ALA112B, ALA134B, ALA170A, ALA170B, ALA174A, ALA176A, ALA189B, ALA191B, ALA212B, ALA214B, ALA222B, ALA224B, ALA225B, ALA228B, ALA231B, ALA235A, ALA235B, ALA254B, ALA256B, ALA265B, ALA266B, ALA272B, ALA72B, ALA86A, ALA92A, ALA97A, ALA99A, ARG115B, ARG166A, ARG166B, ARG169A, ARG169B, ARG184A, ARG193A, ARG193B, ARG199B, ARG226B, ARG234A, ARG234B, ARG248B, ARG249B, ASN233A, ASN233B, ASP103A, ASP138B, ASP178A, ASP259B, ASP87A, ASP93A, ASP98A, CYS137B, GLN150A, GLN165A, GLN219B, GLN260B, GLU132A, GLU132B, GLU152A, GLU190A, GLU192B, GLU230B, GLU237A, GLU237B, GLU242B, GLU247B, GLU258B, GLU262B, GLU90A, GLY109A, GLY156A, GLY160A, GLY162A, GLY163A, GLY172A, GLY183A, GLY195A, GLY195B, GLY243B, GLY263B, GLY71B, HIS252B, ILE119B, ILE141B, ILE153A, ILE171A, ILE171B, ILE180A, ILE217B, ILE268B, ILE88A, LEU133B, LEU140B, LEU155A, LEU158A, LEU167A, LEU179A, LEU181A, LEU196B, LEU240A, LEU240B, LEU244A, LEU244B, LEU245B, LEU250B, LEU94A, LYS154A, LYS173A, LYS173B, LYS175A, LYS229B, LYS89A, MET135A, MET135B, MET136A, MET136B, MET161A, MET177A, MET186A, MET220B, MET227B, MET264B, MET91A, PHE100A, PHE104A, PHE105A, PHE236A, PHE236B, PHE251B, PHE255B, PHE267B, PHE275B, PHE96A, PRO117B, PRO151A, PRO159A, PRO273B, SER164A, SER194A, SER194B, SER198B, SER218B, SER221B, SER223B, SER238A, SER238B, SER239A, SER239B, SER241B, SER253B, SER261B, THR101A, THR107A, THR116B, THR118B, THR168A, THR182A, THR185A, THR213B, THR215B, THR216B, THR257B, THR95A, TRP108A, TYR246B, VAL139B, VAL157A, VAL197B, VAL200B, VAL232B
• A-C: ALA102C, ALA106C, ALA112A, ALA112C, ALA120A, ALA134A, ALA170A, ALA170C, ALA174C, ALA176C, ALA189A, ALA191A, ALA212A, ALA214A, ALA222A, ALA224A, ALA225A, ALA228A, ALA231A, ALA235A, ALA235C, ALA254A, ALA256A, ALA265A, ALA266A, ALA48C, ALA72A, ALA84C, ALA86C, ALA92C, ALA97C, ALA99C, ARG115A, ARG166A, ARG166C, ARG169A, ARG169C, ARG184C, ARG193A, ARG193C, ARG199A, ARG226A, ARG234A, ARG234C, ARG248A, ARG249A, ARG278A, ASN233A, ASN233C, ASP103C, ASP138A, ASP178C, ASP259A, ASP87C, ASP93C, ASP98C, CYS137A, GLN150C, GLN165C, GLN219A, GLN260A, GLU132A, GLU132C, GLU152C, GLU190C, GLU192A, GLU230A, GLU237A, GLU237C, GLU242A, GLU247A, GLU258A, GLU262A, GLU269A, GLU90C, GLY109C, GLY156C, GLY160C, GLY162C, GLY163C, GLY172C, GLY183C, GLY195A, GLY195C, GLY243A, GLY263A, GLY71A, GLY85C, HIS252A, ILE119A, ILE141A, ILE153C, ILE171A, ILE171C, ILE180C, ILE217A, ILE268A, ILE88C, LEU133A, LEU140A, LEU155C, LEU158C, LEU167C, LEU179C, LEU181C, LEU196A, LEU240A, LEU240C, LEU244A, LEU244C, LEU245A, LEU250A, LEU94C, LYS154C, LYS173A, LYS173C, LYS175C, LYS229A, LYS89C, MET135A, MET135C, MET136A, MET136C, MET161C, MET177C, MET186C, MET220A, MET227A, MET264A, MET91C, PHE100C, PHE104C, PHE105C, PHE236A, PHE236C, PHE251A, PHE255A, PHE267A, PHE275A, PHE96C, PRO117A, PRO151C, PRO159C, PRO273A, SER164C, SER194A, SER194C, SER198A, SER218A, SER221A, SER223A, SER238A, SER238C, SER239A, SER239C, SER241A, SER253A, SER261A, THR101C, THR107C, THR116A, THR118A, THR168C, THR182C, THR185C, THR213A, THR215A, THR216A, THR257A, THR95C, TRP108C, TYR246A, VAL139A, VAL157C, VAL197A, VAL200A, VAL232A
• B-C: ALA102B, ALA106B, ALA112B, ALA112C, ALA134C, ALA170B, ALA170C, ALA174B, ALA176B, ALA189C, ALA191C, ALA212C, ALA214C, ALA222C, ALA224C, ALA225C, ALA228C, ALA231C, ALA235B, ALA235C, ALA254C, ALA256C, ALA265C, ALA266C, ALA72C, ALA84B, ALA86B, ALA92B, ALA97B, ALA99B, ARG115C, ARG166B, ARG166C, ARG169B, ARG169C, ARG184B, ARG193B, ARG193C, ARG199C, ARG226C, ARG234B, ARG234C, ARG248C, ARG249C, ASN233B, ASN233C, ASP103B, ASP138C, ASP178B, ASP259C, ASP87B, ASP93B, ASP98B, CYS137C, GLN150B, GLN165B, GLN219C, GLN260C, GLU132B, GLU132C, GLU152B, GLU190B, GLU192C, GLU230C, GLU237B, GLU237C, GLU242C, GLU247C, GLU258C, GLU262C, GLU269C, GLU90B, GLY109B, GLY156B, GLY160B, GLY162B, GLY163B, GLY172B, GLY183B, GLY195B, GLY195C, GLY243C, GLY263C, GLY71C, GLY85B, HIS252C, ILE119C, ILE141C, ILE153B, ILE171B, ILE171C, ILE180B, ILE217C, ILE268C, ILE88B, LEU133C, LEU140C, LEU155B, LEU158B, LEU167B, LEU179B, LEU181B, LEU196C, LEU240B, LEU240C, LEU244C, LEU245C, LEU250C, LEU94B, LYS154B, LYS173B, LYS173C, LYS175B, LYS229C, LYS270C, LYS89B, MET135B, MET135C, MET136B, MET136C, MET161B, MET177B, MET186B, MET220C, MET227C, MET264C, MET91B, PHE100B, PHE104B, PHE105B, PHE236B, PHE236C, PHE251C, PHE255C, PHE267C, PHE275C, PHE96B, PRO117C, PRO151B, PRO159B, PRO273C, SER164B, SER194B, SER194C, SER198C, SER218C, SER221C, SER223C, SER238B, SER238C, SER239B, SER239C, SER241C, SER253C, SER261C, THR101B, THR107B, THR116C, THR118C, THR168B, THR182B, THR185B, THR213C, THR215C, THR216C, THR257C, THR95B, TRP108B, TYR246C, VAL139C, VAL157B, VAL197C, VAL200C, VAL232C