1Q7B

the structure of betaketoacyl-[acp] reductase from e. coli in complex with nadp+

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 144
  • Norm. En. per Res.: -4.9817
• 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	-122.0414	-87.2898	-508.031	-717.3622	144	15	17	18937	7	20	32
A-C	-22.8294	0.0	-42.8723	-65.7017	21	4	1	1536	0	0	0
A-D	-89.5111	-23.5004	-486.231	-599.2426	144	12	10	16382	8	7	21
B-C	-61.9542	-22.5469	-473.803	-558.304	147	16	10	16345	8	8	22
B-D	-23.7849	0.0	-44.1241	-67.909	22	4	1	1662	0	0	0
C-D	-140.935	-85.58	-499.881	-726.396	147	52	18	19772	7	18	32

Interface residues

• A-B: ALA120A, ALA120B, ALA124A, ALA124B, ALA149A, ALA149B, ALA152A, ALA152B, ALA153A, ALA153B, ALA154A, ALA154B, ALA156A, ALA156B, ALA166A, ALA166B, ARG116A, ARG116B, ARG123A, ARG123B, ARG167A, ARG167B, ARG172A, ARG172B, ARG97A, ARG97B, ASN104A, ASN104B, ASN110A, ASN110B, ASN145A, ASN145B, ASN150A, ASN150B, ASN93A, ASN93B, ASP100A, ASP100B, GLN148A, GLN148B, GLU101A, GLU101B, GLU102A, GLU102B, GLU108A, GLU108B, GLU168A, GLU168B, GLY141A, GLY141B, GLY144A, GLY144B, GLY146A, GLY146B, GLY147A, GLY147B, GLY157A, GLY157B, GLY160A, GLY160B, GLY232A, GLY232B, ILE106A, ILE106B, ILE107A, ILE107B, ILE133A, ILE133B, ILE159A, ILE159B, ILE174A, ILE66B, LEU111A, LEU111B, LEU117A, LEU117B, LEU158A, LEU158B, LEU165A, LEU165B, LEU94A, LEU94B, LEU95A, LEU95B, LYS119A, LYS119B, LYS127A, LYS127B, LYS155A, LYS155B, LYS163A, LYS163B, LYS99A, LYS99B, MET122A, MET122B, MET125B, MET126A, MET126B, MET143A, MET143B, MET241A, MET96A, MET96B, MET98A, MET98B, PHE115A, PHE115B, PHE161A, PHE161B, PRO63A, PRO63B, SER112A, SER112B, SER113A, SER113B, SER118A, SER118B, SER162A, SER162B, SER164A, SER164B, THR142A, THR142B, TRP103A, TRP103B, TYR151A, TYR151B, TYR242A, TYR242B, VAL114A, VAL114B, VAL121A, VAL121B, VAL139A, VAL139B, VAL140A, VAL140B, VAL169A, VAL169B, VAL176A, VAL176B, VAL244A, VAL244B
• A-C: ASN145A, ASN145C, ASN238A, ASN238C, GLY144A, GLY144C, GLY146C, GLY240A, GLY240C, MET143A, MET143C, MET241A, MET241C, MET243A, MET243C, THR142A, THR142C, TYR242A, TYR242C, VAL244A, VAL244C
• A-D: ALA166A, ALA166D, ALA170A, ALA170D, ALA180A, ALA180D, ALA206A, ALA206D, ALA216A, ALA216D, ALA218A, ALA218D, ALA220A, ALA220D, ALA227A, ALA227D, ALA228A, ALA228D, ARG132A, ARG132D, ARG167A, ARG167D, ARG172A, ARG172D, ARG208A, ARG208D, ARG28A, ARG28D, ASN177A, ASN177D, ASN217A, ASN217D, ASN238A, ASN238D, ASP225A, ASP225D, GLN203A, GLN203D, GLN213A, GLN213D, GLU168A, GLU168D, GLU185A, GLU185D, GLU214A, GLU214D, GLU226A, GLU226D, GLU233A, GLU233D, GLY160A, GLY160D, GLY173A, GLY173D, GLY182A, GLY182D, GLY207A, GLY207D, GLY210A, GLY210D, GLY211A, GLY211D, GLY232A, GLY232D, GLY239A, GLY239D, GLY240A, GLY240D, HIS236A, HIS236D, ILE159A, ILE159D, ILE174A, ILE174D, ILE184A, ILE184D, ILE200A, ILE200D, ILE215A, ILE215D, ILE230A, ILE230D, LEU165A, LEU165D, LEU201A, LEU201D, LEU209A, LEU209D, LEU222A, LEU222D, LEU235A, LEU235D, LYS163A, LYS163D, MET241A, MET241D, MET243A, MET243D, PHE183A, PHE183D, PHE221A, PHE221D, PRO181A, PRO181D, PRO205A, PRO205D, SER162A, SER162D, SER164A, SER164D, SER171A, SER171D, SER224A, SER224D, THR142A, THR142D, THR175A, THR175D, THR231A, THR231D, THR234A, THR234D, THR24A, THR24D, TYR229A, TYR229D, TYR242A, TYR242D, VAL139A, VAL139D, VAL169A, VAL169D, VAL176A, VAL176D, VAL179A, VAL179D, VAL204A, VAL204D, VAL219A, VAL219D, VAL237A, VAL237D, VAL244A, VAL244D
• B-C: ALA166B, ALA166C, ALA170B, ALA170C, ALA180B, ALA180C, ALA206B, ALA206C, ALA216B, ALA216C, ALA218B, ALA218C, ALA220B, ALA220C, ALA227B, ALA227C, ALA228B, ALA228C, ARG129B, ARG132B, ARG132C, ARG167B, ARG167C, ARG172B, ARG172C, ARG208B, ARG208C, ARG28B, ARG28C, ASN177B, ASN177C, ASN217B, ASN217C, ASN238B, ASN238C, ASP225B, ASP225C, GLN203B, GLN203C, GLN213B, GLN213C, GLU168B, GLU168C, GLU185B, GLU185C, GLU214B, GLU214C, GLU226B, GLU226C, GLU233B, GLU233C, GLY160B, GLY160C, GLY173B, GLY173C, GLY182B, GLY182C, GLY207B, GLY207C, GLY210B, GLY210C, GLY211B, GLY211C, GLY232B, GLY232C, GLY239B, GLY239C, GLY240B, GLY240C, HIS236B, HIS236C, ILE159B, ILE159C, ILE174B, ILE174C, ILE184B, ILE184C, ILE200B, ILE200C, ILE215B, ILE215C, ILE230B, ILE230C, LEU165B, LEU165C, LEU201B, LEU201C, LEU209B, LEU209C, LEU222B, LEU222C, LEU235B, LEU235C, LYS163B, LYS163C, MET241B, MET241C, MET243B, MET243C, PHE161C, PHE183B, PHE183C, PHE221B, PHE221C, PRO181B, PRO181C, PRO205B, PRO205C, SER162B, SER162C, SER164B, SER164C, SER171B, SER171C, SER224B, SER224C, THR142B, THR142C, THR175B, THR175C, THR231B, THR231C, THR234B, THR234C, THR24B, THR24C, TYR229B, TYR229C, TYR242B, TYR242C, VAL139B, VAL139C, VAL169B, VAL169C, VAL176B, VAL176C, VAL178B, VAL179B, VAL179C, VAL204B, VAL204C, VAL219B, VAL219C, VAL237B, VAL237C, VAL244B, VAL244C
• B-D: ASN145B, ASN145D, ASN238D, GLY144B, GLY144D, GLY146D, GLY240B, GLY240D, MET143B, MET143D, MET241B, MET241D, MET243B, MET243D, THR142B, THR142D, TYR242B, TYR242D, VAL139D, VAL140D, VAL244B, VAL244D
• C-D: ALA120C, ALA120D, ALA124C, ALA124D, ALA149C, ALA149D, ALA152C, ALA152D, ALA153C, ALA153D, ALA154C, ALA154D, ALA156C, ALA156D, ALA166C, ALA166D, ARG116C, ARG116D, ARG123C, ARG123D, ARG167C, ARG167D, ARG172C, ARG172D, ARG97C, ARG97D, ASN104C, ASN104D, ASN110C, ASN110D, ASN145C, ASN145D, ASN150C, ASN150D, ASN93C, ASN93D, ASP100C, ASP100D, GLN148C, GLN148D, GLU101C, GLU101D, GLU102C, GLU102D, GLU108C, GLU108D, GLU168C, GLU168D, GLY141C, GLY141D, GLY144C, GLY144D, GLY146C, GLY146D, GLY147C, GLY147D, GLY157C, GLY157D, GLY160C, GLY160D, GLY232C, GLY232D, ILE106C, ILE106D, ILE107C, ILE107D, ILE133C, ILE133D, ILE159C, ILE159D, ILE174C, ILE174D, ILE66D, LEU111C, LEU111D, LEU117C, LEU117D, LEU158C, LEU158D, LEU165C, LEU165D, LEU94C, LEU94D, LEU95C, LEU95D, LYS119C, LYS119D, LYS127C, LYS127D, LYS155C, LYS155D, LYS163C, LYS163D, LYS99C, LYS99D, MET122C, MET122D, MET125C, MET125D, MET126C, MET126D, MET143C, MET143D, MET241C, MET241D, MET96C, MET96D, MET98C, MET98D, PHE115C, PHE115D, PHE161C, PHE161D, PRO63C, PRO63D, SER112C, SER112D, SER113C, SER113D, SER118C, SER118D, SER162C, SER162D, SER164C, SER164D, THR142C, THR142D, TRP103C, TRP103D, TYR151C, TYR151D, TYR242C, TYR242D, VAL114C, VAL114D, VAL121C, VAL121D, VAL139C, VAL139D, VAL140C, VAL140D, VAL169C, VAL169D, VAL176C, VAL176D, VAL244C, VAL244D