3MYB

crystal structure of enoyl-coa hydratase mycobacterium smegmatis

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 183
  • Norm. En. per Res.: -4.1878
• 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	-99.338	-20.7955	-646.241	-766.3745	183	13	22	25079	4	32	31
A-C	-92.6226	-3.6839	-556.642	-652.9485	186	17	22	25279	2	31	30
B-C	-98.5346	-2.5803	-659.064	-760.1789	184	8	23	24979	2	34	31

Interface residues

• A-B: ALA103A, ALA111B, ALA112B, ALA118A, ALA118B, ALA123A, ALA148A, ALA148B, ALA157B, ALA158B, ALA173A, ALA194A, ALA201A, ALA205A, ALA206A, ALA208A, ALA212A, ALA225A, ALA227A, ALA229A, ALA234A, ALA242A, ALA248A, ALA52A, ALA64B, ALA73B, ALA85B, ALA99A, ARG151A, ARG151B, ARG155A, ARG155B, ARG181A, ARG204A, ARG216A, ARG216B, ARG253A, ARG51A, ARG72B, ARG77B, ARG96B, ASN137B, ASN152A, ASN152B, ASN180A, ASN236A, ASP121A, ASP172B, ASP221A, ASP221B, ASP228A, ASP239A, ASP67B, ASP89B, CYS114A, CYS120A, CYS142B, CYS235A, CYS87B, GLN115A, GLN115B, GLN217A, GLN95A, GLN95B, GLU160B, GLU166B, GLU191A, GLU219A, GLU219B, GLU223A, GLU244A, GLU251A, GLU70B, GLU74B, GLU78B, GLU81B, GLY135B, GLY139B, GLY146B, GLY154B, GLY165B, GLY175A, GLY175B, GLY177A, GLY210A, GLY230A, GLY245A, HIS66B, ILE102A, ILE136B, ILE199A, ILE218A, ILE218B, ILE222A, ILE222B, ILE94A, LEU116A, LEU116B, LEU122A, LEU140B, LEU149A, LEU149B, LEU162B, LEU176A, LEU176B, LEU178A, LEU213A, LEU243A, LEU250A, LEU68B, LEU83B, LEU92B, LEU97A, LYS156B, LYS174A, LYS198A, LYS202A, LYS211A, LYS69B, LYS82B, MET119A, MET119B, MET161B, MET195A, MET209A, MET233A, MET237A, MET238A, MET71B, MET91B, PHE131A, PHE141B, PHE159B, PHE167B, PHE214A, PHE249A, PHE26B, PHE84B, PRO100A, PRO145B, PRO203A, PRO240A, PRO255A, PRO75B, SER134B, SER143B, SER150A, SER150B, SER197A, SER224A, SER241A, SER247A, SER76B, THR144B, THR164B, THR220A, THR220B, THR231A, THR232A, THR88B, TRP257A, TYR215A, TYR215B, TYR226A, TYR79B, TYR80B, VAL101A, VAL105A, VAL117A, VAL124A, VAL133B, VAL138B, VAL147A, VAL147B, VAL153A, VAL153B, VAL163B, VAL168B, VAL179A, VAL196A, VAL200A, VAL207A, VAL246A
• A-C: ALA103C, ALA111A, ALA112A, ALA118A, ALA118C, ALA123C, ALA148A, ALA148C, ALA157A, ALA158A, ALA173C, ALA194C, ALA201C, ALA205C, ALA206C, ALA208C, ALA212C, ALA225C, ALA227C, ALA229C, ALA234C, ALA242C, ALA248C, ALA28A, ALA64A, ALA73A, ALA85A, ALA99C, ARG151A, ARG151C, ARG155A, ARG155C, ARG181C, ARG204C, ARG216A, ARG216C, ARG253C, ARG51C, ARG72A, ARG77A, ARG96A, ASN137A, ASN152A, ASN152C, ASN180C, ASN236C, ASP121C, ASP172A, ASP221A, ASP221C, ASP228C, ASP239C, ASP67A, ASP89A, CYS114C, CYS120C, CYS142A, CYS235C, CYS87A, GLN115A, GLN115C, GLN217C, GLN95A, GLN95C, GLU160A, GLU166A, GLU191C, GLU219A, GLU219C, GLU223C, GLU244C, GLU251C, GLU70A, GLU74A, GLU78A, GLU81A, GLY135A, GLY139A, GLY146A, GLY154A, GLY165A, GLY175A, GLY175C, GLY177C, GLY210C, GLY230C, GLY245C, HIS66A, ILE102C, ILE136A, ILE199C, ILE218A, ILE218C, ILE222A, ILE222C, ILE94A, ILE94C, LEU116A, LEU116C, LEU122C, LEU140A, LEU149A, LEU149C, LEU162A, LEU176A, LEU176C, LEU178C, LEU213C, LEU243C, LEU250C, LEU68A, LEU83A, LEU92A, LEU97C, LYS156A, LYS174C, LYS198C, LYS202C, LYS211C, LYS252C, LYS69A, LYS82A, MET119A, MET119C, MET161A, MET195C, MET209C, MET233C, MET237C, MET238C, MET71A, MET91A, PHE131C, PHE141A, PHE159A, PHE167A, PHE214C, PHE249C, PHE26A, PHE84A, PRO100C, PRO145A, PRO203C, PRO240C, PRO255C, PRO75A, SER134A, SER143A, SER150A, SER150C, SER197C, SER224C, SER241C, SER247C, SER76A, THR144A, THR164A, THR220A, THR220C, THR231C, THR232C, THR88A, TRP257C, TYR215A, TYR215C, TYR226C, TYR79A, TYR80A, VAL101C, VAL105C, VAL117C, VAL124C, VAL133A, VAL138A, VAL147A, VAL147C, VAL153A, VAL153C, VAL163A, VAL168A, VAL179C, VAL196C, VAL200C, VAL207C, VAL246C, VAL90A
• B-C: ALA103B, ALA111C, ALA112C, ALA118B, ALA118C, ALA123B, ALA148B, ALA148C, ALA157C, ALA158C, ALA173B, ALA194B, ALA201B, ALA205B, ALA206B, ALA208B, ALA212B, ALA225B, ALA227B, ALA229B, ALA234B, ALA242B, ALA248B, ALA28C, ALA64C, ALA73C, ALA85C, ALA99B, ARG151B, ARG151C, ARG155B, ARG155C, ARG181B, ARG204B, ARG216B, ARG216C, ARG253B, ARG51B, ARG72C, ARG77C, ARG96C, ASN137C, ASN152B, ASN152C, ASN180B, ASN236B, ASP121B, ASP172C, ASP221B, ASP221C, ASP228B, ASP239B, ASP67C, ASP89C, CYS114B, CYS120B, CYS142C, CYS235B, CYS87C, GLN115B, GLN115C, GLN217B, GLN95B, GLN95C, GLU160C, GLU166C, GLU191B, GLU219B, GLU219C, GLU223B, GLU244B, GLU251B, GLU70C, GLU74C, GLU78C, GLU81C, GLY135C, GLY139C, GLY146C, GLY154C, GLY165C, GLY175B, GLY175C, GLY177B, GLY210B, GLY230B, GLY245B, HIS66C, ILE102B, ILE136C, ILE199B, ILE218B, ILE218C, ILE222B, ILE222C, ILE94B, LEU116B, LEU116C, LEU122B, LEU140C, LEU149B, LEU149C, LEU162C, LEU176B, LEU176C, LEU178B, LEU213B, LEU243B, LEU250B, LEU68C, LEU83C, LEU92C, LEU97B, LYS156C, LYS174B, LYS198B, LYS202B, LYS211B, LYS252B, LYS69C, LYS82C, MET119B, MET119C, MET161C, MET195B, MET209B, MET233B, MET237B, MET238B, MET71C, MET91C, PHE131B, PHE141C, PHE159C, PHE167C, PHE214B, PHE249B, PHE26C, PHE84C, PRO100B, PRO145C, PRO203B, PRO240B, PRO255B, PRO75C, SER134C, SER143C, SER150B, SER150C, SER197B, SER224B, SER241B, SER247B, SER76C, THR144C, THR164C, THR220B, THR220C, THR231B, THR232B, THR88C, TRP257B, TYR215B, TYR215C, TYR226B, TYR79C, TYR80C, VAL101B, VAL105B, VAL117B, VAL124B, VAL133C, VAL138C, VAL147B, VAL147C, VAL153B, VAL153C, VAL163C, VAL168C, VAL179B, VAL196B, VAL200B, VAL207B, VAL246B