3R9S

structure of a carnitinyl-coa dehydratase from mycobacterium avium 104

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 134
  • Norm. En. per Res.: -4.4932
• 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	-75.1008	-94.6254	-437.126	-606.8521	139	13	14	17588	6	32	30
A-C	-59.7352	-75.7089	-418.461	-553.9051	134	12	14	16947	4	30	29
B-C	-75.8005	-95.6787	-430.612	-602.0912	134	12	14	17398	5	32	29

Interface residues

• A-B: ALA102B, ALA116B, ALA118B, ALA141A, ALA142A, ALA150A, ALA158A, ALA172A, ALA172B, ALA173B, ALA194B, ALA196B, ALA198B, ALA203B, ALA209B, ALA214B, ALA238A, ALA245A, ALA262A, ALA52B, ARG137A, ARG148A, ARG148B, ARG155A, ARG160A, ARG174B, ARG212B, ARG231A, ARG234A, ARG263A, ARG51B, ASN14B, ASN180B, ASN202B, ASP120B, ASP175A, ASP175B, ASP218B, ASP219B, ASP225B, ASP230A, ASP244A, ASP47B, ASP97B, GLN152B, GLN208B, GLN261A, GLU114B, GLU134A, GLU151A, GLU151B, GLU166A, GLU181B, GLU235A, GLU243A, GLU247A, GLU257A, GLU49B, GLY138A, GLY144A, GLY145A, GLY165A, GLY177B, GLY216B, GLY220B, GLY224B, GLY228A, GLY248A, ILE101B, ILE140A, ILE149A, ILE149B, ILE179B, ILE199B, ILE213B, LEU115B, LEU117B, LEU121B, LEU132A, LEU139A, LEU153A, LEU153B, LEU161A, LEU162A, LEU163A, LEU178B, LEU195B, LEU205B, LEU239A, LEU240A, LYS136A, LYS156A, LYS211B, LYS241A, LYS98B, MET159A, MET233A, MET236A, PHE130B, PHE147A, PHE95B, PRO133A, PRO154A, PRO154B, PRO204B, PRO227A, PRO258A, PRO48B, PRO99B, SER119B, SER197B, SER206B, SER210B, SER242A, THR100B, THR113B, THR164A, THR200B, THR232A, TRP176A, TRP176B, TRP229A, TRP260A, TYR215B, TYR91B, VAL122B, VAL123B, VAL135A, VAL146A, VAL157A, VAL182B, VAL201B, VAL207B, VAL217B, VAL221B, VAL222B, VAL223B, VAL259A, VAL50B
• A-C: ALA102A, ALA116A, ALA118A, ALA141C, ALA142C, ALA150C, ALA158C, ALA172A, ALA173A, ALA194A, ALA196A, ALA198A, ALA203A, ALA209A, ALA214A, ALA238C, ALA245C, ALA262C, ALA52A, ARG137C, ARG148A, ARG148C, ARG155C, ARG160C, ARG174A, ARG212A, ARG231C, ARG234C, ARG237C, ARG263C, ARG51A, ASN14A, ASN180A, ASN202A, ASP120A, ASP175A, ASP175C, ASP218A, ASP219A, ASP225A, ASP230C, ASP244C, ASP97A, GLN152A, GLN208A, GLN261C, GLU114A, GLU134C, GLU151A, GLU151C, GLU166C, GLU181A, GLU235C, GLU243C, GLU247C, GLU49A, GLY138C, GLY144C, GLY145C, GLY165C, GLY177A, GLY216A, GLY220A, GLY224A, GLY228C, GLY248C, ILE101A, ILE140C, ILE149C, ILE179A, ILE199A, ILE213A, LEU115A, LEU117A, LEU121A, LEU132C, LEU139C, LEU153A, LEU153C, LEU161C, LEU162C, LEU163C, LEU178A, LEU195A, LEU205A, LEU239C, LYS136C, LYS156C, LYS211A, LYS241C, LYS98A, MET159C, MET233C, MET236C, PHE147C, PHE95A, PRO133C, PRO154A, PRO154C, PRO204A, PRO227C, PRO249C, PRO258C, PRO48A, PRO99A, SER119A, SER197A, SER206A, SER210A, SER242C, THR100A, THR113A, THR164C, THR200A, THR232C, TRP176A, TRP176C, TRP229C, TRP260C, TYR215A, TYR91A, VAL122A, VAL123A, VAL135C, VAL146C, VAL157C, VAL201A, VAL207A, VAL217A, VAL221A, VAL222A, VAL223A, VAL259C, VAL50A
• B-C: ALA102C, ALA116C, ALA118C, ALA141B, ALA142B, ALA150B, ALA158B, ALA173C, ALA194C, ALA196C, ALA198C, ALA203C, ALA209C, ALA214C, ALA238B, ALA245B, ALA262B, ALA52C, ARG137B, ARG148B, ARG148C, ARG155B, ARG160B, ARG174C, ARG212C, ARG231B, ARG234B, ARG263B, ARG51C, ASN14C, ASN180C, ASN202C, ASP120C, ASP175B, ASP175C, ASP218C, ASP219C, ASP225C, ASP230B, ASP244B, ASP97C, GLN152C, GLN208C, GLN261B, GLU114C, GLU134B, GLU151B, GLU151C, GLU166B, GLU181C, GLU235B, GLU243B, GLU247B, GLU257B, GLU49C, GLY138B, GLY144B, GLY145B, GLY165B, GLY177C, GLY216C, GLY220C, GLY224C, GLY228B, GLY248B, ILE101C, ILE140B, ILE149B, ILE149C, ILE179C, ILE199C, ILE213C, LEU115C, LEU117C, LEU121C, LEU132B, LEU139B, LEU153B, LEU153C, LEU161B, LEU162B, LEU163B, LEU178C, LEU195C, LEU205C, LEU239B, LYS136B, LYS156B, LYS211C, LYS241B, LYS98C, MET159B, MET233B, MET236B, PHE147B, PHE95C, PRO133B, PRO154B, PRO154C, PRO204C, PRO227B, PRO249B, PRO258B, PRO48C, PRO99C, SER119C, SER197C, SER206C, SER210C, SER242B, THR100C, THR113C, THR164B, THR200C, THR232B, TRP176B, TRP176C, TRP229B, TRP260B, TYR215C, TYR91C, VAL122C, VAL123C, VAL135B, VAL146B, VAL157B, VAL201C, VAL207C, VAL217C, VAL221C, VAL222C, VAL223C, VAL259B, VAL50C