1OQ4

the crystal structure of the complex between stearoyl acyl carrier protein desaturase from ricinus communis (castor bean) and azide.

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 248
  • Norm. En. per Res.: -4.1344
• Hub Node: A(2)

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	-186.7236	-60.4283	-778.189	-1025.3409	248	28	4	30593	9	91	91
A-C	-2.6394	-10.0693	-47.5542	-60.263	31	2	0	1809	4	22	21
B-C	-21.3989	26.1552	-93.5136	-88.7573	79	5	0	4906	2	44	55
B-D	0.0	-22.2347	-46.3873	-68.622	31	3	0	1867	3	22	22
C-D	-151.6626	-60.7505	-791.678	-1004.0912	247	28	4	30876	10	90	91
C-E	-3.0211	-6.7707	-45.3132	-55.105	31	2	0	1877	4	22	23
D-E	-21.5052	26.3131	-88.1802	-83.3723	79	5	0	4740	2	43	56
D-F	-3.3436	-14.1855	-44.7788	-62.3079	30	0	0	1697	4	22	20
E-F	-186.5847	-69.9547	-765.07	-1021.6094	250	31	4	30464	10	90	92

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, GLU78A, GLU78B, GLY126A, GLY126B, GLY147A, GLY147B, GLY158A, GLY158B, GLY174A, GLY174B, GLY176A, GLY176B, GLY273A, GLY273B, GLY75A, GLY75B, HIS146A, HIS232A, HIS232B, HIS268A, HIS268B, HIS30A, HIS30B, ILE103A, ILE103B, ILE134A, ILE134B, ILE165A, ILE165B, ILE169A, ILE169B, ILE173A, ILE173B, LEU108A, LEU108B, LEU115A, 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, PRO57A, PRO57B, PRO64A, PRO64B, PRO69A, PRO69B, PRO71A, PRO71B, SER128A, SER128B, SER157A, SER157B, SER175A, SER175B, 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: ARG159A, ARG163A, ARG274A, ARG359A, ARG81C, ARG84A, ARG86C, ASP161A, ASP358A, ASP74C, ASP77C, GLN164A, GLN79C, GLU78C, GLU82C, GLU85C, GLY158A, GLY75C, ILE165A, ILE216C, ILE356A, LYS167A, LYS217C, MET162A, PHE18A, PHE357A, PHE76C, SER354A, SER73C, TRP355A, VAL160A
• B-C: ALA210B, ALA210C, ALA227B, ALA227C, ALA72B, ALA72C, ARG145B, ARG145C, ARG231B, ARG231C, ARG86B, ARG86C, ASP215B, ASP215C, ASP228B, ASP228C, ASP66B, ASP66C, ASP70B, ASP70C, ASP74B, ASP74C, CYS61B, CYS61C, GLN220B, GLN220C, GLN63B, GLN63C, GLN65B, GLN65C, GLN79B, GLN79C, GLU212B, GLU212C, GLU59B, GLU59C, GLU78C, GLU82B, GLU82C, GLU85B, GLU85C, GLU89B, GLU89C, GLY214B, GLY214C, GLY75B, GLY75C, HIS213B, HIS213C, ILE216B, ILE216C, ILE221B, ILE221C, LYS211B, LYS211C, LYS217B, LYS217C, LYS230B, LYS230C, LYS56B, LYS56C, LYS60B, LYS60C, PHE67B, PHE67C, PHE76B, PHE76C, PRO57B, PRO57C, PRO71B, PRO71C, SER73B, SER73C, THR224B, THR224C, TRP62B, TRP62C, VAL58B, VAL58C
• B-D: ARG159D, ARG163D, ARG274D, ARG359D, ARG81B, ARG84D, ARG86B, ASP161D, ASP358D, ASP74B, ASP77B, GLN164D, GLN79B, GLU78B, GLU82B, GLU85B, GLY158D, GLY75B, ILE165D, ILE216B, ILE356D, LYS167D, LYS217B, MET162D, PHE18D, PHE357D, PHE76B, SER354D, SER73B, TRP355D, VAL160D
• 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, GLU78C, GLU78D, GLY126C, GLY126D, GLY147C, GLY158C, GLY158D, GLY174C, GLY174D, GLY176C, GLY176D, GLY273C, GLY273D, GLY75C, GLY75D, HIS232C, HIS232D, HIS268C, HIS268D, HIS30C, HIS30D, ILE103C, ILE103D, 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, 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
• C-E: ARG159C, ARG163C, ARG274C, ARG359C, ARG81E, ARG84C, ARG86E, ASP161C, ASP358C, ASP74E, ASP77E, GLN164C, GLN79E, GLU78E, GLU82E, GLU85E, GLY158C, GLY75E, ILE165C, ILE216E, ILE356C, LYS167C, LYS217E, MET162C, PHE18C, PHE357C, PHE76E, SER354C, SER73E, TRP355C, VAL160C
• D-E: ALA210E, ALA227D, ALA227E, ALA72D, ALA72E, ARG145D, ARG145E, ARG231D, ARG231E, ARG86D, ARG86E, ASP215D, ASP215E, ASP228D, ASP228E, ASP66D, ASP66E, ASP70D, ASP70E, ASP74D, ASP74E, CYS61D, CYS61E, GLN220D, GLN220E, GLN63D, GLN63E, GLN65D, GLN65E, GLN79D, GLN79E, GLU212D, GLU212E, GLU59D, GLU59E, GLU78D, GLU78E, GLU82D, GLU82E, GLU85D, GLU85E, GLU89D, GLU89E, GLY214D, GLY214E, GLY223E, GLY75D, GLY75E, HIS213D, HIS213E, ILE216D, ILE216E, ILE221D, ILE221E, LYS211D, LYS211E, LYS217D, LYS217E, LYS230D, LYS230E, LYS56D, LYS56E, LYS60D, LYS60E, PHE67D, PHE67E, PHE76D, PHE76E, PRO57D, PRO57E, PRO71D, PRO71E, SER73D, SER73E, THR224D, THR224E, TRP62D, TRP62E, VAL58D
• D-F: ARG159F, ARG163F, ARG274F, ARG359F, ARG81D, ARG84F, ARG86D, ASP161F, ASP358F, ASP74D, ASP77D, GLN164F, GLN79D, GLU78D, GLU82D, GLU85D, GLY158F, GLY75D, ILE165F, ILE216D, ILE356F, LYS167F, LYS217D, MET162F, PHE18F, PHE357F, PHE76D, SER354F, SER73D, VAL160F
• 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, GLU78E, GLU78F, GLY126E, GLY126F, GLY147E, GLY147F, GLY158E, GLY158F, GLY174E, GLY174F, GLY176E, GLY176F, GLY273E, GLY273F, GLY75E, GLY75F, HIS146E, HIS232E, HIS232F, HIS268E, HIS268F, HIS30E, HIS30F, ILE103E, ILE103F, 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, LYS88E, 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, PRO57E, PRO57F, PRO64E, PRO64F, PRO69E, PRO69F, PRO71E, PRO71F, SER128E, SER128F, SER157E, SER157F, SER175E, SER175F, 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