3QXI

crystal structure of enoyl-coa hydratase echa1 from mycobacterium marinum

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 149
  • Norm. En. per Res.: -3.3013
• 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	-38.4284	-4.1112	-403.375	-445.9145	145	10	17	17171	4	29	30
A-C	-36.4664	-32.2424	-423.182	-491.8907	149	10	17	17863	5	31	32
B-C	-27.7977	-18.1128	-427.478	-473.3886	151	8	17	18148	6	29	34

Interface residues

• A-B: ALA118A, ALA141A, ALA156A, ALA158A, ALA162A, ALA173B, ALA175A, ALA175B, ALA194B, ALA196B, ALA201B, ALA206B, ALA208B, ALA209B, ALA227B, ALA242B, ALA246B, ALA248B, ALA250B, ARG137A, ARG148A, ARG148B, ARG152A, ARG152B, ARG172A, ARG212A, ARG212B, ARG218A, ARG218B, ARG225A, ARG225B, ARG94A, ASN167A, ASN180B, ASN202B, ASN240B, ASP120B, ASP166A, ASP223B, ASP241B, GLN228B, GLN229B, GLU114A, GLU134A, GLU151A, GLU151B, GLU160A, GLU197B, GLU216A, GLU216B, GLU244B, GLU93A, GLY138A, GLY142A, GLY143A, GLY144A, GLY145A, GLY165A, GLY177B, GLY203B, GLY219A, GLY245B, GLY86A, GLY88A, HIS174B, ILE101B, ILE122B, ILE132A, ILE153A, ILE153B, ILE157A, ILE199B, ILE213B, ILE214A, ILE214B, ILE232B, ILE236B, ILE247B, LEU100B, LEU117A, LEU117B, LEU121B, LEU139A, LEU146A, LEU147A, LEU149A, LEU161A, LEU163A, LEU176A, LEU176B, LEU195B, LEU205B, LEU222A, LEU222B, LEU233B, LEU89A, LYS136A, LYS198B, LYS211B, LYS243B, LYS98B, MET159A, MET178B, MET230B, PHE226B, PHE234B, PHE237B, PHE249B, PHE91A, PRO133A, PRO150A, PRO150B, PRO154A, PRO154B, PRO204B, PRO235B, PRO255B, PRO95A, PRO95B, PRO99B, SER217A, SER217B, SER221B, SER239B, THR119B, THR164A, THR200B, THR210B, THR215A, THR215B, THR224B, THR92A, TRP220A, TRP220B, TRP257B, TYR155A, TYR155B, VAL123B, VAL135A, VAL140A, VAL179B, VAL181B, VAL207B, VAL57B, VAL83A
• A-C: ALA118C, ALA141C, ALA156C, ALA158C, ALA162C, ALA173A, ALA175A, ALA175C, ALA194A, ALA196A, ALA201A, ALA206A, ALA208A, ALA209A, ALA227A, ALA242A, ALA246A, ALA248A, ALA250A, ALA77C, ARG137C, ARG148A, ARG148C, ARG152A, ARG152C, ARG172C, ARG212A, ARG212C, ARG218A, ARG218C, ARG225A, ARG225C, ARG87C, ARG94C, ASN167C, ASN180A, ASN202A, ASN240A, ASP120A, ASP166C, ASP223A, ASP241A, GLN228A, GLN229A, GLU114C, GLU134C, GLU151A, GLU151C, GLU160C, GLU197A, GLU216A, GLU216C, GLU244A, GLU93C, GLY138C, GLY142C, GLY143C, GLY144C, GLY145C, GLY165C, GLY177A, GLY203A, GLY219C, GLY245A, GLY86C, GLY88C, HIS174A, ILE101A, ILE122A, ILE132C, ILE153A, ILE153C, ILE157C, ILE199A, ILE213A, ILE214A, ILE214C, ILE232A, ILE236A, ILE247A, LEU100A, LEU117A, LEU117C, LEU121A, LEU139C, LEU146C, LEU147C, LEU149C, LEU161C, LEU163C, LEU176A, LEU176C, LEU195A, LEU205A, LEU222A, LEU222C, LEU233A, LEU73C, LEU89C, LYS136C, LYS198A, LYS211A, LYS243A, LYS98A, MET159C, MET178A, MET230A, MET71C, PHE226A, PHE234A, PHE237A, PHE249A, PHE76C, PHE91C, PRO133C, PRO150A, PRO150C, PRO154A, PRO154C, PRO204A, PRO255A, PRO95C, PRO99A, SER217A, SER217C, SER221A, SER239A, SER56A, THR119A, THR164C, THR200A, THR210A, THR215A, THR215C, THR224A, THR92C, TRP220A, TRP220C, TRP257A, TYR155A, TYR155C, VAL123A, VAL135C, VAL140C, VAL179A, VAL181A, VAL207A, VAL57A, VAL83C
• B-C: ALA118B, ALA141B, ALA156B, ALA158B, ALA162B, ALA173C, ALA175B, ALA175C, ALA194C, ALA196C, ALA201C, ALA206C, ALA208C, ALA209C, ALA227C, ALA242C, ALA246C, ALA248C, ALA250C, ALA77B, ALA97C, ARG137B, ARG148B, ARG148C, ARG152B, ARG152C, ARG172B, ARG212B, ARG212C, ARG218B, ARG218C, ARG225B, ARG225C, ARG87B, ARG94B, ASN167B, ASN180C, ASN202C, ASN240C, ASP120C, ASP166B, ASP223C, ASP241C, GLN228C, GLN229C, GLU114B, GLU134B, GLU151B, GLU151C, GLU160B, GLU197C, GLU216B, GLU216C, GLU244C, GLU93B, GLY138B, GLY142B, GLY143B, GLY144B, GLY145B, GLY165B, GLY177C, GLY203C, GLY219B, GLY245C, GLY86B, GLY88B, HIS174C, ILE101C, ILE122C, ILE132B, ILE153B, ILE153C, ILE157B, ILE199C, ILE213B, ILE213C, ILE214B, ILE214C, ILE232C, ILE236C, ILE247C, LEU100C, LEU117B, LEU117C, LEU121C, LEU139B, LEU146B, LEU147B, LEU149B, LEU161B, LEU163B, LEU176B, LEU176C, LEU195C, LEU205C, LEU222B, LEU222C, LEU233C, LEU73B, LEU89B, LYS136B, LYS198C, LYS211C, LYS243C, LYS98C, MET159B, MET178C, MET230C, MET71B, PHE226C, PHE234C, PHE237C, PHE249C, PHE76B, PHE91B, PRO133B, PRO150B, PRO154B, PRO154C, PRO204C, PRO235C, PRO255C, PRO95B, PRO95C, PRO99C, SER217B, SER217C, SER221C, SER239C, THR119C, THR164B, THR200C, THR210C, THR215B, THR215C, THR224C, THR238C, THR92B, TRP220B, TRP220C, TRP257C, TYR155B, TYR155C, VAL135B, VAL140B, VAL179C, VAL181C, VAL207C, VAL57C, VAL83B