3TFO

crystal structure of a putative 3-oxoacyl-(acyl-carrier-protein) reductase from sinorhizobium meliloti

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 135
  • Norm. En. per Res.: -4.5074
• 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	-101.3894	60.0496	-308.478	-349.8178	101	16	5	11601	0	19	18
A-C	-93.783	-87.674	-410.01	-591.467	137	17	38	18142	12	27	20
A-D	0.0	0.0	-0.0842	-0.0842	6	0	0	26	0	0	0
B-C	0.0	0.0	-4.1625	-4.1625	10	0	0	172	0	0	0
B-D	-99.8537	-85.1958	-423.452	-608.5014	135	14	37	18460	9	30	20
C-D	-117.6028	53.6512	-347.607	-411.5586	111	19	5	12807	0	19	17

Interface residues

• A-B: ALA208A, ALA208B, ALA212A, ALA212B, ALA217A, ALA217B, ALA224A, ALA224B, ALA239A, ALA239B, ARG131B, ARG161A, ARG161B, ARG168A, ARG168B, ARG175A, ARG175B, ARG216A, ARG216B, ARG219A, ARG219B, ARG236A, ARG236B, ASN173A, ASN173B, ASN180A, ASN180B, ASP165A, ASP165B, ASP213A, ASP213B, ASP229A, ASP229B, CYS178A, CYS178B, GLN134A, GLN134B, GLN169A, GLN169B, GLN210A, GLN210B, GLN220A, GLN220B, GLN226A, GLN226B, GLU223A, GLU223B, GLU232A, GLU232B, GLY133A, GLY133B, GLY182A, GLY182B, ILE141A, ILE141B, ILE174A, ILE174B, ILE207B, ILE214A, ILE214B, ILE233A, ILE233B, ILE235A, ILE235B, LEU144A, LEU144B, LEU209A, LEU209B, PRO181B, PRO225A, PRO225B, PRO237A, PRO237B, SER132A, SER132B, SER145A, SER145B, SER171A, SER171B, SER227A, SER227B, THR172A, THR172B, THR177A, THR177B, THR230A, THR230B, THR231A, THR231B, THR234A, THR234B, THR238A, THR238B, VAL176A, VAL176B, VAL179A, VAL179B, VAL221A, VAL221B, VAL228A, VAL228B
• A-C: ALA122A, ALA122C, ALA143A, ALA143C, ALA150A, ALA150C, ALA151A, ALA151C, ALA155A, ALA155C, ALA159A, ALA159C, ALA162A, ALA162C, ALA98A, ALA98C, ALA99A, ALA99C, ARG107A, ARG107C, ARG161A, ARG161C, ARG168A, ARG168C, ARG65A, ARG65C, ASN137A, ASN137C, ASP103A, ASP103C, ASP110A, ASP110C, ASP165A, ASP165C, CYS154A, CYS154C, GLN169A, GLN169C, GLU104A, GLU104C, GLU106A, GLU106C, GLU128A, GLU128C, GLU170A, GLU170C, GLY115A, GLY115C, GLY119A, GLY119C, GLY121A, GLY121C, GLY142A, GLY142C, GLY166A, GLY166C, HIS66A, ILE109A, ILE109C, ILE113A, ILE113C, ILE120A, ILE120C, ILE126A, ILE126C, ILE135A, ILE135C, ILE163A, ILE163C, ILE174A, ILE174C, LEU117A, LEU117C, LEU124A, LEU124C, LEU144A, LEU144C, LEU167A, LEU167C, LEU97A, LEU97C, LYS101A, LYS101C, LYS114A, LYS114C, LYS157A, LYS157C, MET108A, MET108C, PHE158A, PHE158C, PRO125A, PRO125C, PRO148A, PRO148C, PRO96A, PRO96C, SER145A, SER145C, SER164A, SER164C, SER171A, SER171C, SER95A, SER95C, THR149A, THR149C, THR156A, THR156C, THR63A, THR63C, TRP105A, TRP105C, TRP118A, TRP118C, TYR153A, TYR153C, VAL100A, VAL100C, VAL102A, VAL102C, VAL111A, VAL111C, VAL116A, VAL116C, VAL123A, VAL123C, VAL146A, VAL146C, VAL147A, VAL147C, VAL152A, VAL152C, VAL160A, VAL160C, VAL176A, VAL176C
• A-D: LEU144A, LEU144D, SER145A, SER145D, VAL146A, VAL146D
• B-C: ASN242C, GLY241C, LEU144B, LEU144C, PRO148B, SER145B, SER145C, VAL146B, VAL146C, VAL147B
• B-D: ALA122B, ALA122D, ALA143B, ALA143D, ALA150B, ALA150D, ALA151B, ALA151D, ALA155B, ALA155D, ALA159B, ALA159D, ALA162B, ALA162D, ALA98B, ALA98D, ALA99B, ALA99D, ARG107B, ARG107D, ARG161B, ARG161D, ARG168B, ARG168D, ARG65B, ARG65D, ASP103B, ASP103D, ASP110B, ASP110D, ASP165B, ASP165D, CYS154B, CYS154D, GLN169B, GLN169D, GLU104B, GLU104D, GLU106B, GLU106D, GLU128B, GLU128D, GLU170B, GLU170D, GLY115B, GLY115D, GLY119B, GLY119D, GLY121B, GLY121D, GLY142B, GLY142D, GLY166B, GLY166D, HIS66B, ILE109B, ILE109D, ILE113B, ILE113D, ILE120B, ILE120D, ILE126B, ILE126D, ILE135B, ILE135D, ILE163B, ILE163D, ILE174B, ILE174D, LEU117B, LEU117D, LEU124B, LEU124D, LEU144B, LEU144D, LEU167B, LEU167D, LEU97B, LEU97D, LYS101B, LYS101D, LYS114B, LYS114D, LYS157B, LYS157D, MET108B, MET108D, PHE158B, PHE158D, PRO125B, PRO125D, PRO148B, PRO148D, PRO96B, PRO96D, SER145B, SER145D, SER164B, SER164D, SER171B, SER171D, SER95B, SER95D, THR149B, THR149D, THR156B, THR156D, THR63B, THR63D, TRP105B, TRP105D, TRP118B, TRP118D, TYR153B, TYR153D, VAL100B, VAL100D, VAL102B, VAL102D, VAL111B, VAL111D, VAL116B, VAL116D, VAL123B, VAL123D, VAL146B, VAL146D, VAL147B, VAL147D, VAL152B, VAL152D, VAL160B, VAL160D, VAL176B, VAL176D
• C-D: ALA206D, ALA208C, ALA208D, ALA212C, ALA212D, ALA217C, ALA217D, ALA224C, ALA224D, ALA239C, ALA239D, ARG131D, ARG161C, ARG161D, ARG168C, ARG168D, ARG175C, ARG175D, ARG216C, ARG216D, ARG219C, ARG219D, ARG236C, ARG236D, ASN173C, ASN173D, ASN180C, ASN180D, ASN242C, ASP165C, ASP165D, ASP213C, ASP213D, ASP229C, ASP229D, CYS178C, CYS178D, GLN134C, GLN134D, GLN169C, GLN169D, GLN210C, GLN210D, GLN220C, GLN220D, GLN226C, GLN226D, GLU170C, GLU170D, GLU223C, GLU223D, GLU232C, GLU232D, GLY133C, GLY133D, GLY166D, GLY182C, GLY182D, GLY241C, ILE141C, ILE141D, ILE174C, ILE174D, ILE207D, ILE214C, ILE214D, ILE233C, ILE233D, ILE235C, ILE235D, LEU144C, LEU144D, LEU167D, LEU209C, LEU209D, PRO181C, PRO181D, PRO225C, PRO225D, PRO237C, PRO237D, SER132C, SER132D, SER145C, SER145D, SER171C, SER171D, SER227C, SER227D, SER240C, SER240D, THR172C, THR172D, THR177C, THR177D, THR230C, THR230D, THR231C, THR231D, THR234C, THR234D, THR238C, THR238D, VAL176C, VAL176D, VAL179C, VAL179D, VAL221C, VAL221D, VAL228C, VAL228D