3QXZ

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

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 161
  • Norm. En. per Res.: -3.8752
• 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	-55.8425	-53.8605	-484.722	-594.4249	161	11	27	19816	5	25	22
A-C	-71.6572	-77.6092	-474.648	-623.9145	161	12	27	20004	6	27	26
B-C	-54.5333	-52.0657	-459.04	-565.639	154	13	26	18698	5	24	20

Interface residues

• A-B: ALA116A, ALA137B, ALA140B, ALA142B, ALA153B, ALA155B, ALA156B, ALA163B, ALA170A, ALA176A, ALA193A, ALA197A, ALA201A, ALA205A, ALA206A, ALA215A, ALA222A, ALA223A, ALA226A, ALA227A, ALA231A, ALA242A, ALA243A, ALA248A, ALA68B, ALA69B, ALA70B, ALA74B, ALA83B, ALA89B, ARG119A, ARG126B, ARG133B, ARG148A, ARG148B, ARG169B, ARG178A, ARG210A, ARG228A, ARG235A, ARG247A, ARG49A, ARG94A, ASN177A, ASN199A, ASN78B, ASP117A, ASP139B, ASP195A, ASP214A, ASP214B, ASP232A, ASP241A, ASP251A, ASP80B, GLN131B, GLN168A, GLN216A, GLN216B, GLN240A, GLN260A, GLN65B, GLN87B, GLU157B, GLU172A, GLU172B, GLU203A, GLU224A, GLU229A, GLU244A, GLU92B, GLY135B, GLY151A, GLY151B, GLY162B, GLY174A, GLY219A, GLY219B, GLY238A, GLY245A, HIS115B, HIS143B, HIS233A, ILE108B, ILE118A, ILE120A, ILE129B, ILE196A, ILE250A, ILE66B, ILE98A, LEU114A, LEU141B, LEU146A, LEU146B, LEU149A, LEU149B, LEU158B, LEU159B, LEU160B, LEU175A, LEU207A, LEU211A, LEU212A, LEU234A, LEU236A, LYS209A, MET192A, MET217B, MET220A, MET237A, PHE134B, PHE249A, PHE73B, PHE81B, PHE91A, PHE91B, PRO130B, PRO138B, PRO147A, PRO147B, PRO202A, PRO246A, PRO255A, PRO79B, PRO85B, PRO96A, SER204A, SER221A, SER239A, SER67B, SER82B, SER84B, THR111B, THR145A, THR145B, THR152B, THR161B, THR173A, THR173B, THR198A, THR208A, THR218B, THR230A, THR72B, THR95A, TRP144A, TRP144B, TRP213A, TRP213B, TRP257A, VAL132B, VAL136B, VAL150A, VAL150B, VAL154B, VAL171A, VAL200A, VAL225A, VAL50A, VAL97A
• A-C: ALA116C, ALA137A, ALA140A, ALA142A, ALA153A, ALA155A, ALA156A, ALA163A, ALA170C, ALA176C, ALA193C, ALA197C, ALA201C, ALA205C, ALA206C, ALA215C, ALA222C, ALA223C, ALA226C, ALA227C, ALA231C, ALA242C, ALA243C, ALA248C, ALA68A, ALA69A, ALA70A, ALA74A, ALA75A, ALA83A, ALA89A, ARG119C, ARG126A, ARG133A, ARG148A, ARG148C, ARG169A, ARG178C, ARG210C, ARG228C, ARG235C, ARG247C, ARG49C, ARG77A, ARG94C, ASN177C, ASN199C, ASP117C, ASP139A, ASP195C, ASP214A, ASP214C, ASP232C, ASP241C, ASP80A, GLN131A, GLN216A, GLN216C, GLN240C, GLN65A, GLN87A, GLU157A, GLU172A, GLU172C, GLU203C, GLU224C, GLU229C, GLU244C, GLU71A, GLU92A, GLY135A, GLY151A, GLY151C, GLY162A, GLY174C, GLY219A, GLY219C, GLY238C, GLY245C, HIS115A, HIS143A, HIS194C, HIS233C, ILE108A, ILE118C, ILE120C, ILE129A, ILE196C, ILE250C, ILE66A, ILE98C, LEU114C, LEU141A, LEU146A, LEU146C, LEU149A, LEU149C, LEU158A, LEU159A, LEU160A, LEU175C, LEU207C, LEU211C, LEU212C, LEU234C, LEU236C, LYS209C, MET192C, MET217A, MET220C, MET237C, PHE134A, PHE249C, PHE73A, PHE81A, PHE91A, PHE91C, PRO130A, PRO138A, PRO147A, PRO147C, PRO202C, PRO246C, PRO255C, PRO76A, PRO85A, PRO96C, SER204C, SER221C, SER239C, SER67A, SER82A, SER84A, THR111A, THR145A, THR145C, THR152A, THR161A, THR173A, THR173C, THR198C, THR208C, THR218A, THR230C, THR72A, THR95C, TRP144A, TRP144C, TRP213A, TRP213C, TRP257C, VAL132A, VAL136A, VAL150A, VAL150C, VAL154A, VAL171C, VAL200C, VAL225C, VAL50C, VAL97C
• B-C: ALA116B, ALA137C, ALA140C, ALA142C, ALA153C, ALA155C, ALA156C, ALA163C, ALA170B, ALA176B, ALA193B, ALA197B, ALA201B, ALA205B, ALA206B, ALA215B, ALA222B, ALA223B, ALA226B, ALA227B, ALA231B, ALA242B, ALA243B, ALA248B, ALA68C, ALA83C, ALA89C, ARG119B, ARG126C, ARG133C, ARG148B, ARG148C, ARG169C, ARG178B, ARG210B, ARG228B, ARG235B, ARG247B, ARG49B, ARG94B, ASN177B, ASN199B, ASP117B, ASP139C, ASP195B, ASP214B, ASP214C, ASP232B, ASP241B, ASP251B, GLN131C, GLN168B, GLN216B, GLN216C, GLN240B, GLN260B, GLN65C, GLN87C, GLU157C, GLU172B, GLU172C, GLU203B, GLU224B, GLU229B, GLU244B, GLU92C, GLY135C, GLY151B, GLY151C, GLY162C, GLY174B, GLY219B, GLY219C, GLY238B, GLY245B, HIS115C, HIS143C, HIS233B, ILE106C, ILE108C, ILE118B, ILE120B, ILE129C, ILE196B, ILE250B, ILE66C, ILE98B, LEU114B, LEU141C, LEU146B, LEU146C, LEU149B, LEU149C, LEU158C, LEU159C, LEU160C, LEU175B, LEU207B, LEU211B, LEU212B, LEU234B, LEU236B, LYS209B, MET192B, MET217C, MET220B, MET237B, PHE134C, PHE249B, PHE81C, PHE91B, PHE91C, PRO130C, PRO138C, PRO147B, PRO147C, PRO202B, PRO246B, PRO255B, PRO85C, PRO96B, SER204B, SER221B, SER239B, SER67C, SER82C, SER84C, THR111C, THR145B, THR145C, THR152C, THR161C, THR173B, THR173C, THR198B, THR208B, THR218C, THR230B, THR95B, TRP144B, TRP144C, TRP213B, TRP213C, TRP257B, VAL132C, VAL136C, VAL150B, VAL150C, VAL154C, VAL171B, VAL200B, VAL225B, VAL50B, VAL97B