3PZK

crystal structure of the mycobacterium tuberculosis crotonase in apo form

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 173
  • Norm. En. per Res.: -5.0053
• 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	-99.8487	-63.443	-493.152	-656.4437	160	16	25	20836	5	40	38
A-C	-117.3329	-120.5163	-628.073	-865.9222	173	22	34	25716	11	47	42
B-C	-102.4032	-118.9414	-630.138	-851.4826	173	12	34	25294	9	46	43

Interface residues

• A-B: ALA113B, ALA149A, ALA149B, ALA153A, ALA155A, ALA168B, ALA170B, ALA191B, ALA193B, ALA201B, ALA203B, ALA204B, ALA207B, ALA210B, ALA214A, ALA214B, ALA233B, ALA244B, ALA245B, ALA51B, ALA65A, ALA81A, ALA85A, ALA91A, ALA91B, ALA99B, ARG145A, ARG145B, ARG148A, ARG148B, ARG163A, ARG172A, ARG172B, ARG178B, ARG205B, ARG213A, ARG213B, ARG227B, ARG228B, ARG94B, ASN212A, ASN212B, ASP117B, ASP157A, ASP238B, ASP66A, ASP82A, CYS116B, GLN129A, GLN144A, GLN198B, GLN239B, GLU111A, GLU111B, GLU131A, GLU169A, GLU171B, GLU209B, GLU216A, GLU216B, GLU221B, GLU226B, GLU237B, GLU241B, GLY135A, GLY139A, GLY141A, GLY142A, GLY151A, GLY162A, GLY174A, GLY174B, GLY222B, GLY242B, GLY50B, GLY88A, HIS231B, ILE120B, ILE132A, ILE150A, ILE150B, ILE159A, ILE196B, ILE247B, ILE67A, ILE98B, LEU112B, LEU119B, LEU134A, LEU137A, LEU146A, LEU158A, LEU160A, LEU175B, LEU219A, LEU219B, LEU223B, LEU224B, LEU229B, LYS133A, LYS152A, LYS152B, LYS154A, LYS208B, LYS68A, MET114A, MET114B, MET115A, MET115B, MET140A, MET156A, MET165A, MET199B, MET206B, MET243B, PHE215A, PHE215B, PHE230B, PHE234B, PHE246B, PHE254B, PHE79A, PHE83A, PHE84A, PRO130A, PRO138A, PRO252B, PRO96B, SER143A, SER173A, SER173B, SER177B, SER197B, SER200B, SER202B, SER217A, SER217B, SER218A, SER218B, SER220B, SER232B, SER240B, THR147A, THR161A, THR164A, THR192B, THR194B, THR195B, THR236B, THR80A, THR86A, THR95B, THR97B, TRP87A, TYR225B, VAL118B, VAL136A, VAL176B, VAL179B, VAL211B
• A-C: ALA113A, ALA149A, ALA149C, ALA153C, ALA155C, ALA168A, ALA170A, ALA191A, ALA193A, ALA201A, ALA203A, ALA204A, ALA207A, ALA210A, ALA214A, ALA214C, ALA233A, ALA235A, ALA244A, ALA245A, ALA51A, ALA63C, ALA65C, ALA71C, ALA76C, ALA78C, ALA81C, ALA85C, ALA91A, ALA91C, ARG145A, ARG145C, ARG148A, ARG148C, ARG163C, ARG172A, ARG172C, ARG178A, ARG205A, ARG213A, ARG213C, ARG227A, ARG228A, ASN212A, ASN212C, ASP117A, ASP157C, ASP238A, ASP66C, ASP72C, ASP77C, ASP82C, CYS116A, GLN129C, GLN144C, GLN198A, GLN239A, GLU111A, GLU111C, GLU131C, GLU169C, GLU171A, GLU209A, GLU216A, GLU216C, GLU221A, GLU226A, GLU237A, GLU241A, GLU248A, GLU69C, GLY135C, GLY139C, GLY141C, GLY142C, GLY151C, GLY162C, GLY174A, GLY174C, GLY222A, GLY242A, GLY50A, GLY64C, GLY88C, HIS231A, ILE120A, ILE132C, ILE150A, ILE150C, ILE159C, ILE196A, ILE247A, ILE67C, ILE98A, LEU112A, LEU119A, LEU134C, LEU137C, LEU146C, LEU158C, LEU160C, LEU175A, LEU219A, LEU219C, LEU223A, LEU224A, LEU229A, LEU73C, LYS133C, LYS152A, LYS152C, LYS154C, LYS208A, LYS249A, LYS68C, MET114A, MET114C, MET115A, MET115C, MET140C, MET156C, MET165C, MET199A, MET206A, MET243A, MET70C, PHE215A, PHE215C, PHE230A, PHE234A, PHE246A, PHE254A, PHE75C, PHE79C, PHE83C, PHE84C, PRO130C, PRO138C, PRO252A, PRO96A, SER143C, SER173A, SER173C, SER177A, SER197A, SER200A, SER202A, SER217A, SER217C, SER218A, SER218C, SER220A, SER232A, SER240A, THR147C, THR161C, THR164C, THR192A, THR194A, THR195A, THR236A, THR74C, THR80C, THR86C, THR95A, THR97A, TRP87C, TYR225A, VAL118A, VAL136C, VAL176A, VAL179A, VAL211A
• B-C: ALA113C, ALA149B, ALA149C, ALA153B, ALA155B, ALA168C, ALA170C, ALA191C, ALA193C, ALA201C, ALA203C, ALA204C, ALA207C, ALA210C, ALA214B, ALA214C, ALA233C, ALA235C, ALA244C, ALA245C, ALA51C, ALA63B, ALA65B, ALA71B, ALA76B, ALA78B, ALA81B, ALA85B, ALA91B, ALA91C, ARG145B, ARG145C, ARG148B, ARG148C, ARG163B, ARG172B, ARG172C, ARG178C, ARG205C, ARG213B, ARG213C, ARG227C, ARG228C, ASN212B, ASN212C, ASP117C, ASP157B, ASP238C, ASP66B, ASP72B, ASP77B, ASP82B, CYS116C, GLN129B, GLN144B, GLN198C, GLN239C, GLU111B, GLU111C, GLU131B, GLU169B, GLU169C, GLU171C, GLU209C, GLU216B, GLU216C, GLU221C, GLU226C, GLU237C, GLU241C, GLU248C, GLU69B, GLY135B, GLY139B, GLY141B, GLY142B, GLY151B, GLY162B, GLY174B, GLY174C, GLY222C, GLY242C, GLY50C, GLY64B, GLY88B, HIS231C, ILE120C, ILE132B, ILE150B, ILE150C, ILE159B, ILE196C, ILE247C, ILE67B, ILE98C, LEU112C, LEU119C, LEU134B, LEU137B, LEU146B, LEU158B, LEU160B, LEU175C, LEU219B, LEU219C, LEU223C, LEU224C, LEU229C, LEU73B, LYS133B, LYS152B, LYS152C, LYS154B, LYS208C, LYS68B, MET114B, MET114C, MET115B, MET115C, MET140B, MET156B, MET165B, MET199C, MET206C, MET243C, MET70B, PHE215B, PHE215C, PHE230C, PHE234C, PHE246C, PHE254C, PHE75B, PHE79B, PHE83B, PHE84B, PRO130B, PRO138B, PRO252C, PRO96C, SER143B, SER173B, SER173C, SER177C, SER197C, SER200C, SER202C, SER217B, SER217C, SER218B, SER218C, SER220C, SER232C, SER240C, THR147B, THR161B, THR164B, THR192C, THR194C, THR195C, THR236C, THR74B, THR80B, THR86B, THR95C, THR97C, TRP87B, TYR225C, VAL118C, VAL136B, VAL176C, VAL179C, VAL211C