2JAP

clavulanic acid dehydrogenase: structural and biochemical analysis of the final step in the biosynthesis of the beta- lactamase inhibitor clavulanic acid

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 127
  • Norm. En. per Res.: -5.2743
• Hub Node: A(3)

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	-195.0898	16.2015	-474.955	-653.8433	127	23	10	17120	12	56	46
A-C	-68.4129	-75.2676	-493.95	-637.6304	139	18	24	19800	5	46	25
A-D	0.0	0.0	-12.696	-12.696	14	0	0	415	0	0	1
B-C	0.0	0.0	-7.0255	-7.0255	13	1	0	349	0	0	1
B-D	-61.6241	-69.2967	-482.786	-613.7068	137	23	22	19568	6	46	25
C-D	-203.4742	15.9163	-482.272	-669.8299	127	24	10	17342	10	56	46

Interface residues

• A-B: ALA217A, ALA217B, ALA221A, ALA221B, ALA223A, ALA223B, ALA227A, ALA227B, ALA230A, ALA230B, ALA234A, ALA234B, ARG146A, ARG146B, ARG170A, ARG170B, ARG176A, ARG176B, ARG179A, ARG179B, ARG213A, ARG213B, ARG225A, ARG225B, ARG242A, ARG242B, ASN163A, ASN163B, ASP219A, ASP219B, ASP245A, ASP245B, GLN171A, GLN171B, GLN211A, GLN216A, GLN216B, GLN218A, GLN218B, GLN246A, GLN246B, GLU167A, GLU167B, GLU172A, GLU172B, GLU175A, GLU175B, GLU184A, GLU184B, GLU222A, GLU222B, GLU238A, GLU238B, GLY135A, GLY135B, GLY145A, GLY145B, GLY177A, GLY177B, GLY186A, GLY186B, HIS232A, HIS232B, HIS233A, HIS233B, HIS237A, HIS237B, ILE143A, ILE143B, ILE183A, ILE183B, ILE212A, ILE212B, ILE220A, ILE220B, ILE239A, ILE239B, ILE241A, ILE241B, LEU169A, LEU169B, LEU215A, LEU215B, LYS134A, LYS134B, LYS214A, LYS214B, PHE240A, PHE240B, PRO231A, PRO231B, PRO243A, PRO243B, THR136A, THR168A, THR168B, THR174A, THR174B, THR187A, THR187B, THR188A, THR188B, THR229A, THR235A, THR235B, THR244A, THR244B, TYR226A, TYR226B, VAL147A, VAL147B, VAL173A, VAL173B, VAL178A, VAL178B, VAL180A, VAL180B, VAL181A, VAL181B, VAL182A, VAL182B, VAL224A, VAL224B, VAL236A, VAL236B, VAL247A, VAL247B
• A-C: ALA103A, ALA103C, ALA125A, ALA125C, ALA144A, ALA144C, ALA152A, ALA152C, ALA153A, ALA153C, ALA157A, ALA157C, ALA164A, ALA164C, ARG110A, ARG110C, ARG124A, ARG124C, ARG132C, ARG146A, ARG146C, ARG150A, ARG150C, ARG170A, ARG170C, ARG176A, ARG176C, ARG68A, ARG68C, ASN148A, ASN148C, ASN151A, ASN151C, ASN163A, ASN163C, ASP102A, ASP102C, ASP104A, ASP104C, ASP107A, ASP107C, ASP113A, ASP113C, ASP72A, ASP72C, GLN139A, GLN139C, GLN156A, GLN156C, GLN171A, GLN171C, GLU101A, GLU101C, GLU167A, GLU167C, GLU172A, GLU172C, GLU175A, GLU175C, GLY118A, GLY118C, GLY145A, GLY145C, GLY161A, GLY161C, GLY98A, GLY98C, HIS237A, HIS237C, ILE112A, ILE112C, LEU116A, LEU116C, LEU117A, LEU117C, LEU119A, LEU119C, LEU127A, LEU127C, LEU131A, LEU131C, LEU169A, LEU169C, LEU97A, LEU97C, LYS159A, LYS159C, MET111A, MET111C, MET120A, MET120C, MET122A, MET122C, PHE160A, PHE160C, PHE165A, PHE165C, PRO128A, PRO128C, PRO99A, PRO99C, SER166A, SER166C, THR105A, THR105C, THR106A, THR106C, THR109A, THR109C, THR123A, THR123C, THR158A, THR158C, THR168A, THR168C, THR174A, THR174C, TRP108A, TRP108C, TYR121A, TYR121C, TYR155A, TYR155C, VAL100A, VAL100C, VAL137A, VAL137C, VAL147A, VAL147C, VAL149A, VAL149C, VAL154A, VAL154C, VAL162A, VAL162C, VAL173A, VAL173C, VAL71A, VAL71C
• A-D: ARG150A, ARG150D, ARG242A, ARG242D, ASN148A, ASN148D, GLN246A, GLN246D, VAL147A, VAL147D, VAL149A, VAL149D, VAL247A, VAL247D
• B-C: ARG150B, ARG150C, ARG242B, ARG242C, ASN148B, ASN148C, GLN246C, VAL147B, VAL147C, VAL149B, VAL149C, VAL247B, VAL247C
• B-D: ALA103B, ALA103D, ALA125B, ALA125D, ALA144B, ALA144D, ALA152B, ALA152D, ALA153B, ALA153D, ALA157B, ALA157D, ALA164B, ALA164D, ARG110B, ARG110D, ARG124B, ARG124D, ARG146B, ARG146D, ARG150B, ARG150D, ARG170B, ARG170D, ARG176B, ARG176D, ARG68B, ARG68D, ASN148B, ASN148D, ASN151B, ASN151D, ASN163B, ASN163D, ASP102B, ASP102D, ASP104B, ASP104D, ASP107B, ASP107D, ASP113B, ASP113D, ASP72B, ASP72D, GLN139B, GLN139D, GLN156B, GLN156D, GLN171B, GLN171D, GLU101B, GLU101D, GLU167B, GLU167D, GLU172B, GLU172D, GLU175B, GLU175D, GLY118B, GLY118D, GLY145B, GLY145D, GLY161B, GLY161D, GLY98B, GLY98D, HIS237B, HIS237D, ILE112B, ILE112D, LEU116B, LEU116D, LEU117B, LEU117D, LEU119B, LEU119D, LEU127B, LEU127D, LEU131B, LEU131D, LEU169B, LEU169D, LEU97B, LEU97D, LYS159B, LYS159D, MET111B, MET111D, MET120B, MET120D, MET122B, MET122D, PHE160B, PHE160D, PHE165B, PHE165D, PRO128B, PRO128D, PRO99B, PRO99D, SER166B, SER166D, THR105B, THR105D, THR106B, THR106D, THR109B, THR109D, THR123B, THR123D, THR158B, THR158D, THR168B, THR168D, THR174B, THR174D, TRP108B, TRP108D, TYR121B, TYR121D, TYR155B, TYR155D, VAL100B, VAL100D, VAL137D, VAL147B, VAL147D, VAL149B, VAL149D, VAL154B, VAL154D, VAL162B, VAL162D, VAL173B, VAL173D, VAL71B, VAL71D
• C-D: ALA217C, ALA217D, ALA221C, ALA221D, ALA223C, ALA223D, ALA227C, ALA227D, ALA230C, ALA230D, ALA234C, ALA234D, ARG146C, ARG146D, ARG170C, ARG170D, ARG176C, ARG176D, ARG179C, ARG179D, ARG213C, ARG213D, ARG225C, ARG225D, ARG242C, ARG242D, ASN163C, ASN163D, ASP219C, ASP219D, ASP245C, ASP245D, GLN171C, GLN171D, GLN211C, GLN216C, GLN216D, GLN218C, GLN218D, GLN246C, GLN246D, GLU167C, GLU167D, GLU172C, GLU172D, GLU175C, GLU175D, GLU184C, GLU184D, GLU222C, GLU222D, GLU238C, GLU238D, GLY135C, GLY135D, GLY145C, GLY145D, GLY177C, GLY177D, GLY186C, GLY186D, HIS232C, HIS232D, HIS233C, HIS233D, HIS237C, HIS237D, ILE143C, ILE143D, ILE183C, ILE183D, ILE212C, ILE212D, ILE220C, ILE220D, ILE239C, ILE239D, ILE241C, ILE241D, LEU169C, LEU215C, LEU215D, LYS134C, LYS134D, LYS214C, LYS214D, PHE240C, PHE240D, PRO231C, PRO231D, PRO243C, PRO243D, THR136C, THR168C, THR168D, THR174C, THR174D, THR187C, THR187D, THR188C, THR188D, THR229C, THR229D, THR235C, THR235D, THR244C, THR244D, TYR226C, TYR226D, VAL147C, VAL147D, VAL173C, VAL173D, VAL178C, VAL178D, VAL180C, VAL180D, VAL181C, VAL181D, VAL182C, VAL182D, VAL224C, VAL224D, VAL236C, VAL236D, VAL247C, VAL247D