1OQ7

the crystal structure of the iron free (apo-)form of stearoyl acyl carrier protein desaturase from ricinus communis (castor bean).

• Total interactions analyzed: 15
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 251
  • Norm. En. per Res.: -3.886
• 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	-136.5294	-61.4809	-777.364	-975.3743	251	45	4	31531	10	90	89
A-C	0.0	0.0	-0.0582	-0.0582	4	0	0	25	0	3	1
A-E	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	0	0
B-F	0.0	12.9336	-37.0385	-24.1049	44	8	0	2350	0	12	23
C-D	-136.5807	-70.0799	-745.745	-952.4056	248	38	4	30815	10	90	89
E-F	-143.4906	-71.7146	-745.239	-960.4443	251	46	4	30938	10	92	88

Interface residues

• A-B: ALA107A, ALA107B, ALA127A, ALA127B, ALA133A, ALA133B, ALA138A, ALA138B, ALA141A, ALA141B, ALA72A, ALA72B, ARG122A, ARG122B, ARG137A, ARG137B, ARG145A, ARG145B, ARG159A, ARG159B, ARG163A, ARG163B, ARG180A, ARG180B, ARG22A, ARG22B, ARG231A, ARG231B, ARG274A, ARG274B, ARG359A, ARG359B, ARG81A, ARG81B, ARG84A, ARG84B, ASN116A, ASN116B, ASN144A, ASN144B, ASN151A, ASN151B, ASN183A, ASN183B, ASP119A, ASP119B, ASP123A, ASP123B, ASP148A, ASP148B, ASP161A, ASP161B, ASP178A, ASP178B, ASP228A, ASP228B, ASP272A, ASP272B, ASP66A, ASP66B, ASP70A, ASP70B, ASP74A, ASP74B, ASP77A, ASP77B, CYS61A, CYS61B, GLN112A, GLN112B, GLN164A, GLN164B, GLN170A, GLN170B, GLN27A, GLN27B, GLN63A, GLN63B, GLN65A, GLN65B, GLN79A, GLN79B, GLU106A, GLU106B, GLU124A, GLU124B, GLU142A, GLU142B, GLU143A, GLU143B, GLU166A, GLU166B, GLU182A, GLU182B, GLU23A, GLU23B, GLU59A, GLU59B, GLY126A, GLY126B, GLY147A, GLY147B, GLY158A, GLY158B, GLY174A, GLY174B, GLY176A, GLY176B, GLY273A, GLY273B, GLY75A, GLY75B, HIS146A, HIS146B, HIS232A, HIS232B, HIS25A, HIS25B, HIS268A, HIS268B, HIS30A, HIS30B, ILE134A, ILE134B, ILE165A, ILE165B, ILE169A, ILE169B, ILE173A, ILE173B, LEU108A, LEU108B, LEU115A, LEU115B, LEU118A, LEU118B, LEU149A, LEU149B, LEU154A, LEU154B, LEU156A, LEU156B, LEU172A, LEU172B, LEU269A, LEU269B, LEU55A, LEU55B, LEU68A, LEU68B, LEU83A, LEU83B, LYS152A, LYS152B, LYS167A, LYS167B, LYS56A, LYS56B, LYS60A, LYS60B, MET102A, MET102B, MET114A, MET114B, MET162A, MET162B, MET177A, MET177B, MET19A, MET19B, PHE18A, PHE18B, PHE357A, PHE357B, PHE67A, PHE67B, PHE76A, PHE76B, PRO109A, PRO109B, PRO129A, PRO129B, PRO179A, PRO179B, PRO20A, PRO20B, PRO21A, PRO57A, PRO57B, PRO64A, PRO64B, PRO69A, PRO69B, PRO71A, PRO71B, SER128A, SER128B, SER157A, SER157B, SER175A, SER175B, SER184A, SER184B, SER73A, SER73B, THR110A, THR110B, THR113A, THR113B, THR117A, THR117B, THR125A, THR125B, THR130A, THR130B, THR136A, THR136B, THR140A, THR140B, THR168A, THR168B, THR181A, THR181B, THR29A, THR29B, TRP135A, TRP135B, TRP139A, TRP139B, TRP62A, TRP62B, TYR111A, TYR111B, TYR153A, TYR153B, TYR155A, TYR155B, TYR171A, TYR171B, TYR271A, TYR271B, VAL160A, VAL160B, VAL26A, VAL26B, VAL28A, VAL28B, VAL58A, VAL58B, VAL80A, VAL80B
• A-C: ILE246C, LEU43C, LYS312A, SER42C
• A-E: LYS322A, LYS322E
• B-F: ASN45F, ASP247B, ASP247F, ASP249B, ASP44B, ASP44F, GLN35B, GLN35F, GLU245B, GLU245F, GLU38B, GLU38F, GLY315B, GLY315F, ILE246B, ILE246F, ILE37B, ILE37F, ILE39B, ILE39F, LEU316B, LEU43B, LEU43F, LYS242B, LYS242F, LYS36B, LYS36F, LYS41B, LYS41F, PHE40B, PHE40F, PRO248B, PRO248F, PRO33B, PRO33F, PRO34B, PRO34F, SER317B, SER42B, SER42F, THR314B, THR314F, TRP46B, TYR186B
• C-D: ALA107C, ALA107D, ALA127C, ALA127D, ALA133C, ALA133D, ALA138C, ALA138D, ALA141C, ALA141D, ALA72C, ALA72D, ARG122C, ARG122D, ARG137C, ARG137D, ARG145C, ARG145D, ARG159C, ARG159D, ARG163C, ARG163D, ARG180C, ARG180D, ARG22C, ARG22D, ARG231C, ARG231D, ARG274C, ARG274D, ARG359C, ARG359D, ARG81C, ARG81D, ARG84C, ARG84D, ASN116C, ASN116D, ASN144C, ASN144D, ASN151C, ASN151D, ASN183C, ASN183D, ASP119C, ASP119D, ASP123C, ASP123D, ASP148C, ASP148D, ASP161C, ASP161D, ASP178C, ASP178D, ASP228C, ASP228D, ASP272C, ASP272D, ASP66C, ASP66D, ASP70C, ASP70D, ASP74C, ASP74D, ASP77C, ASP77D, CYS61C, CYS61D, GLN112C, GLN112D, GLN164C, GLN164D, GLN170C, GLN170D, GLN27C, GLN27D, GLN63C, GLN63D, GLN65C, GLN65D, GLN79C, GLN79D, GLU106C, GLU106D, GLU124C, GLU124D, GLU142C, GLU142D, GLU143C, GLU143D, GLU166C, GLU166D, GLU182C, GLU182D, GLU23C, GLU23D, GLU59C, GLU59D, GLY126C, GLY126D, GLY147C, GLY147D, GLY158C, GLY158D, GLY174C, GLY174D, GLY176C, GLY176D, GLY273C, GLY273D, HIS146C, HIS146D, HIS232C, HIS232D, HIS25C, HIS25D, HIS268C, HIS268D, HIS30C, HIS30D, ILE134C, ILE134D, ILE165C, ILE165D, ILE169C, ILE169D, ILE173C, ILE173D, LEU108C, LEU108D, LEU115C, LEU115D, LEU118C, LEU118D, LEU149C, LEU149D, LEU154C, LEU154D, LEU156C, LEU156D, LEU172C, LEU172D, LEU269C, LEU269D, LEU55C, LEU55D, LEU68C, LEU68D, LEU83C, LEU83D, LYS152C, LYS152D, LYS167C, LYS167D, LYS56C, LYS56D, LYS60C, LYS60D, MET102C, MET102D, MET114C, MET114D, MET162C, MET162D, MET177C, MET177D, MET19C, MET19D, PHE18C, PHE18D, PHE357C, PHE357D, PHE67C, PHE67D, PHE76C, PHE76D, PRO109C, PRO109D, PRO129C, PRO129D, PRO179C, PRO179D, PRO20C, PRO20D, PRO57C, PRO57D, PRO64C, PRO64D, PRO69C, PRO69D, PRO71C, PRO71D, SER128C, SER128D, SER157C, SER157D, SER175C, SER175D, SER184C, SER184D, SER73C, SER73D, THR110C, THR110D, THR113C, THR113D, THR117C, THR117D, THR125C, THR125D, THR130C, THR130D, THR136C, THR136D, THR140C, THR140D, THR168C, THR168D, THR181C, THR181D, THR29C, THR29D, TRP135C, TRP135D, TRP139C, TRP139D, TRP62C, TRP62D, TYR111C, TYR111D, TYR153C, TYR153D, TYR155C, TYR155D, TYR171C, TYR171D, TYR271C, TYR271D, VAL160C, VAL160D, VAL26C, VAL26D, VAL28C, VAL28D, VAL58C, VAL58D, VAL80C, VAL80D
• E-F: ALA107E, ALA107F, ALA127E, ALA127F, ALA133E, ALA133F, ALA138E, ALA138F, ALA141E, ALA141F, ALA72E, ALA72F, ARG122E, ARG122F, ARG137E, ARG137F, ARG145E, ARG145F, ARG159E, ARG159F, ARG163E, ARG163F, ARG180E, ARG180F, ARG22E, ARG22F, ARG231E, ARG231F, ARG274E, ARG274F, ARG359E, ARG359F, ARG81E, ARG81F, ARG84E, ARG84F, ASN116E, ASN116F, ASN144E, ASN144F, ASN151E, ASN151F, ASN183E, ASN183F, ASP119E, ASP119F, ASP123E, ASP123F, ASP148E, ASP148F, ASP161E, ASP161F, ASP178E, ASP178F, ASP228E, ASP228F, ASP272E, ASP272F, ASP66E, ASP66F, ASP70E, ASP70F, ASP74E, ASP74F, ASP77E, ASP77F, CYS61E, CYS61F, GLN112E, GLN112F, GLN164E, GLN164F, GLN170E, GLN170F, GLN27E, GLN27F, GLN63E, GLN63F, GLN65E, GLN65F, GLN79E, GLN79F, GLU106E, GLU106F, GLU124E, GLU124F, GLU142E, GLU142F, GLU143E, GLU143F, GLU166E, GLU166F, GLU182E, GLU182F, GLU23E, GLU23F, GLU59E, GLU59F, GLY126E, GLY126F, GLY147E, GLY147F, GLY158E, GLY158F, GLY174E, GLY174F, GLY176E, GLY176F, GLY273E, GLY273F, GLY75E, GLY75F, HIS146E, HIS146F, HIS232E, HIS232F, HIS25E, HIS25F, HIS268E, HIS268F, HIS30E, HIS30F, ILE134E, ILE134F, ILE165E, ILE165F, ILE169E, ILE169F, ILE173E, ILE173F, LEU108E, LEU108F, LEU115E, LEU115F, LEU118E, LEU118F, LEU149E, LEU149F, LEU154E, LEU154F, LEU156E, LEU156F, LEU172E, LEU172F, LEU269E, LEU269F, LEU55E, LEU55F, LEU68E, LEU68F, LEU83E, LEU83F, LYS152E, LYS152F, LYS167E, LYS167F, LYS56E, LYS56F, LYS60E, LYS60F, MET102E, MET102F, MET114E, MET114F, MET162E, MET162F, MET177E, MET177F, MET19E, MET19F, PHE18E, PHE18F, PHE357E, PHE357F, PHE67E, PHE67F, PHE76E, PHE76F, PRO109E, PRO109F, PRO129E, PRO129F, PRO179E, PRO179F, PRO20E, PRO20F, PRO21F, PRO57E, PRO57F, PRO64E, PRO64F, PRO69E, PRO69F, PRO71E, PRO71F, SER128E, SER128F, SER157E, SER157F, SER175E, SER175F, SER184E, SER184F, SER73E, SER73F, THR110E, THR110F, THR113E, THR113F, THR117E, THR117F, THR125E, THR125F, THR130E, THR130F, THR136E, THR136F, THR140E, THR140F, THR168E, THR168F, THR181E, THR181F, THR29E, THR29F, TRP135E, TRP135F, TRP139E, TRP139F, TRP62E, TRP62F, TYR111E, TYR111F, TYR153E, TYR153F, TYR155E, TYR155F, TYR171E, TYR171F, TYR271E, TYR271F, VAL160E, VAL160F, VAL26E, VAL26F, VAL28E, VAL28F, VAL58E, VAL58F, VAL80E, VAL80F