3N74

crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase from brucella melitensis

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 142
  • Norm. En. per Res.: -4.8468
• 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	-127.1954	-54.4412	-496.541	-678.1775	144	15	20	18458	8	33	31
A-C	-6.8639	0.0	-21.5921	-28.456	19	0	0	1005	0	4	7
A-D	-34.897	0.0	-353.019	-387.916	132	5	13	14760	0	17	16
B-C	-28.4298	0.0	-338.873	-367.3028	133	8	13	14391	0	16	16
B-D	0.0	21.3894	-33.3476	-11.9582	19	3	0	1338	0	4	7
C-D	-128.8289	-54.4582	-504.952	-688.2391	142	20	20	18699	8	37	30

Interface residues

• A-B: ALA146A, ALA146B, ALA154A, ALA154B, ALA158A, ALA158B, ALA169A, ALA169B, ALA171A, ALA171B, ALA175A, ALA175B, ALA177A, ALA177B, ALA96A, ALA96B, ARG106A, ARG106B, ARG113A, ARG113B, ARG148A, ARG148B, ARG150A, ARG150B, ASN111A, ASN111B, ASN140A, ASN140B, ASN152A, ASN152B, ASN157A, ASN157B, ASN85A, ASN85B, ASN95A, ASN95B, ASP105A, ASP105B, GLN94A, GLN94B, GLU100A, GLU100B, GLU102A, GLU102B, GLU103A, GLU103B, GLU173A, GLU173B, GLU63A, GLU63B, GLU97A, GLU97B, GLY109A, GLY109B, GLY114A, GLY114B, GLY145A, GLY145B, GLY147A, GLY147B, GLY161A, GLY161B, GLY241B, HIS125A, HIS125B, HIS91A, HIS91B, ILE107A, ILE107B, ILE123A, ILE123B, ILE138A, ILE138B, ILE172A, ILE172B, LEU117A, LEU117B, LEU122A, LEU122B, LEU153A, LEU153B, LEU170A, LEU170B, LEU174A, LEU174B, LEU98A, LEU98B, LYS121A, LYS121B, LYS127A, LYS127B, LYS160A, LYS160B, LYS168A, LYS168B, MET118A, MET118B, PHE104A, PHE104B, PRO101A, PRO101B, PRO124A, PRO124B, PRO149A, PRO149B, PRO151A, PRO151B, PRO176A, PRO176B, PRO93A, SER120A, SER120B, SER165A, SER165B, SER61B, THR119A, THR119B, THR144B, THR159A, THR159B, THR167A, THR167B, TRP155A, TRP155B, TRP162A, TRP162B, TYR116A, TYR116B, TYR156A, TYR156B, VAL108A, VAL108B, VAL112A, VAL112B, VAL115A, VAL115B, VAL163A, VAL163B, VAL164A, VAL164B, VAL166A, VAL166B, VAL99A, VAL99B
• A-C: ARG148A, ARG148C, ARG150A, ARG150C, ARG250A, GLY147A, GLY147C, GLY249A, ILE252A, ILE252C, PRO149A, PRO149C, PRO151A, PRO151C, PRO214A, PRO214C, SER251A, SER251C, THR144A
• A-D: ALA169A, ALA169D, ALA171A, ALA171D, ALA175A, ALA175D, ALA177A, ALA177D, ALA183A, ALA183D, ALA225A, ALA225D, ALA227A, ALA227D, ALA228A, ALA228D, ALA229A, ALA229D, ALA236A, ALA236D, ALA243A, ALA243D, ARG148D, ARG180A, ARG180D, ARG217A, ARG217D, ARG24A, ARG24D, ARG250A, ARG250D, ASN185A, ASN185D, ASP222A, ASP222D, ASP223A, ASP223D, ASP245A, ASP245D, ASP247A, ASP247D, CYS136A, CYS136D, GLN235A, GLN235D, GLU135A, GLU135D, GLU173A, GLU173D, GLU226A, GLU226D, GLY216A, GLY216D, GLY241A, GLY241D, GLY248A, GLY248D, GLY249A, GLY249D, ILE172A, ILE172D, ILE179A, ILE179D, ILE213A, ILE213D, ILE239A, ILE239D, ILE252A, ILE252D, LEU170A, LEU170D, LEU174A, LEU174D, LEU184A, LEU184D, LEU218A, LEU218D, LEU219A, LEU219D, LEU224A, LEU224D, LEU231A, LEU231D, LEU244A, LEU244D, LYS168A, LYS168D, LYS178A, LYS178D, LYS220A, LYS220D, MET215A, MET215D, MET238A, MET238D, PHE230A, PHE230D, PRO176A, PRO176D, PRO186A, PRO186D, PRO214A, PRO214D, PRO234A, PRO234D, SER165A, SER165D, SER233A, SER233D, SER237A, SER237D, SER251A, SER251D, SER2A, THR144A, THR144D, THR167A, THR167D, THR240A, THR240D, VAL137A, VAL137D, VAL181A, VAL181D, VAL182A, VAL182D, VAL187A, VAL187D, VAL242A, VAL242D, VAL246A, VAL246D
• B-C: ALA169B, ALA169C, ALA171B, ALA171C, ALA175B, ALA175C, ALA177B, ALA177C, ALA183B, ALA183C, ALA225B, ALA225C, ALA227B, ALA227C, ALA228B, ALA228C, ALA229B, ALA229C, ALA236B, ALA236C, ALA243B, ALA243C, ARG148B, ARG148C, ARG150C, ARG180B, ARG180C, ARG217B, ARG217C, ARG24B, ARG24C, ARG250B, ARG250C, ASN185B, ASN185C, ASP222B, ASP222C, ASP223B, ASP223C, ASP245B, ASP245C, ASP247B, ASP247C, CYS136B, CYS136C, GLN235B, GLN235C, GLU135B, GLU135C, GLU173B, GLU173C, GLU226B, GLU226C, GLY216B, GLY216C, GLY241B, GLY241C, GLY248B, GLY248C, GLY249B, GLY249C, ILE172B, ILE172C, ILE179B, ILE179C, ILE213B, ILE213C, ILE239B, ILE239C, ILE252B, ILE252C, LEU170B, LEU170C, LEU174B, LEU174C, LEU184B, LEU184C, LEU218B, LEU218C, LEU219B, LEU219C, LEU224B, LEU224C, LEU231B, LEU231C, LEU244B, LEU244C, LYS168B, LYS168C, LYS178B, LYS178C, LYS220B, LYS220C, MET215B, MET215C, MET238B, MET238C, PHE230B, PHE230C, PRO176B, PRO176C, PRO186B, PRO186C, PRO214B, PRO214C, PRO234B, PRO234C, SER165B, SER165C, SER212C, SER233B, SER233C, SER237B, SER237C, SER251B, SER251C, THR144C, THR167B, THR167C, THR240B, THR240C, VAL137B, VAL137C, VAL181B, VAL181C, VAL182B, VAL182C, VAL187B, VAL187C, VAL242B, VAL242C, VAL246B, VAL246C
• B-D: ARG148B, ARG148D, ARG150B, ARG150D, ARG250B, ARG250D, GLY147B, GLY147D, GLY249D, ILE252B, ILE252D, PRO149B, PRO149D, PRO151B, PRO151D, PRO214B, PRO214D, SER251B, SER251D
• C-D: ALA146C, ALA146D, ALA154C, ALA154D, ALA158C, ALA158D, ALA169C, ALA169D, ALA171C, ALA171D, ALA175C, ALA175D, ALA177D, ALA96C, ALA96D, ARG106C, ARG106D, ARG113C, ARG113D, ARG148C, ARG148D, ARG150C, ARG150D, ASN111C, ASN111D, ASN140C, ASN140D, ASN152C, ASN152D, ASN157C, ASN157D, ASN85C, ASN85D, ASN95C, ASN95D, ASP105C, ASP105D, GLN94C, GLN94D, GLU100C, GLU100D, GLU102C, GLU102D, GLU103C, GLU103D, GLU173C, GLU173D, GLU63C, GLU63D, GLU97C, GLU97D, GLY109C, GLY109D, GLY114C, GLY114D, GLY145C, GLY145D, GLY147C, GLY147D, GLY161C, GLY161D, HIS125C, HIS125D, HIS91C, HIS91D, ILE107C, ILE107D, ILE123C, ILE123D, ILE138C, ILE138D, ILE172C, ILE172D, LEU117C, LEU117D, LEU122C, LEU122D, LEU153C, LEU153D, LEU170C, LEU170D, LEU174C, LEU174D, LEU98C, LEU98D, LYS121C, LYS121D, LYS127C, LYS127D, LYS160C, LYS160D, LYS168C, LYS168D, MET118C, MET118D, PHE104C, PHE104D, PRO101C, PRO101D, PRO124C, PRO124D, PRO149C, PRO149D, PRO151C, PRO151D, PRO176C, PRO176D, PRO93C, SER120C, SER120D, SER165C, SER165D, SER61C, SER61D, THR119C, THR119D, THR159C, THR159D, THR167C, THR167D, TRP155C, TRP155D, TRP162C, TRP162D, TYR116C, TYR116D, TYR156C, TYR156D, VAL108C, VAL108D, VAL112C, VAL112D, VAL115C, VAL115D, VAL163C, VAL163D, VAL164C, VAL164D, VAL166C, VAL166D, VAL99C, VAL99D