2P6F

crystal structures of saccharomyces cerevisiae n-myristoyltransferase with bound myristoyl-coa and inhibitors

• Total interactions analyzed: 15
• Total true interactions: 7
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 97
  • Norm. En. per Res.: -1.6392
• 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	-8.8407	42.2584	-153.917	-120.4992	93	5	4	6941	2	40	45
A-C	-5.3042	39.0009	-160.137	-126.4404	97	3	2	7570	2	38	43
A-E	0.0	8.0068	-7.1348	0.8721	15	0	0	576	0	9	10
B-C	-19.3067	29.3002	-168.992	-158.9985	97	11	2	7344	1	40	45
D-E	-10.2141	39.2697	-158.541	-129.4854	100	5	2	7009	1	39	44
D-F	-17.4269	37.0066	-163.453	-143.8732	99	8	3	7309	2	39	45
E-F	-10.4029	40.1493	-169.111	-139.3647	100	1	2	7461	2	39	45

Interface residues

• A-B: ALA109A, ALA109B, ARG107A, ARG107B, ARG112B, ARG138B, ARG178B, ARG218A, ASN100B, ASN102B, ASN114B, ASN12A, ASN20A, ASN21A, ASN338A, ASN338B, ASN339A, ASN339B, ASN437A, ASN440A, ASP106A, ASP106B, ASP108A, ASP108B, ASP233A, ASP239A, ASP344B, ASP417A, ASP439A, GLN143B, GLN176B, GLN18A, GLU101B, GLU141B, GLU231A, GLU243A, GLU93B, GLY110A, GLY110B, GLY236A, GLY240A, HIS174B, ILE208A, ILE336B, LEU10A, LEU13A, LEU145B, LEU14A, LEU16A, LEU177B, LEU17A, LEU19A, LEU237A, LEU337B, LEU76B, LEU98B, LYS117B, LYS140B, LYS144B, LYS15A, LYS175B, LYS180B, LYS227A, LYS308B, LYS341A, LYS341B, LYS343A, LYS343B, LYS8A, LYS9A, PHE111A, PHE419A, PHE79B, PHE96B, PRO438A, SER441A, SER77B, SER78B, THR116B, THR142B, THR235A, THR335B, THR340A, THR340B, TYR115B, TYR230A, TYR342A, TYR342B, VAL139B, VAL146B, VAL173B, VAL232A, VAL97B
• A-C: ALA109C, ARG107A, ARG107C, ARG112A, ARG138A, ARG218C, ASN100A, ASN102A, ASN114A, ASN12C, ASN20C, ASN21C, ASN338A, ASN338C, ASN339A, ASN339C, ASN437C, ASN440C, ASP106C, ASP108A, ASP108C, ASP233C, ASP239C, ASP307A, ASP344A, ASP417C, ASP439C, GLN143A, GLN176A, GLN18C, GLU101A, GLU118A, GLU141A, GLU231C, GLU243C, GLU80A, GLU93A, GLY110A, GLY110C, GLY236C, GLY240C, HIS174A, HIS241C, ILE336A, ILE336C, LEU10C, LEU13C, LEU14C, LEU16C, LEU177A, LEU17C, LEU19C, LEU229C, LEU237C, LEU337A, LEU337C, LEU75A, LEU76A, LEU98A, LYS117A, LYS140A, LYS144A, LYS15C, LYS175A, LYS180A, LYS227C, LYS228C, LYS308A, LYS341A, LYS341C, LYS343A, LYS8C, LYS9C, PHE234C, PHE419C, PHE79A, PHE96A, PRO438C, SER441C, SER77A, SER78A, THR116A, THR142A, THR235C, THR335A, THR340A, THR340C, TRP226C, TYR115A, TYR230C, TYR342A, TYR342C, VAL137A, VAL139A, VAL146A, VAL232C, VAL97A
• A-E: ARG262E, ASP320E, ASP67A, ASP70A, GLN318E, GLU317E, GLU66A, GLY321E, ILE68A, LYS196A, LYS322E, LYS71A, PRO319E, PRO65A, SER69A
• B-C: ALA109B, ARG107B, ARG107C, ARG112C, ARG138C, ARG178C, ARG218B, ASN100C, ASN102C, ASN114C, ASN12B, ASN20B, ASN21B, ASN338B, ASN338C, ASN339B, ASN339C, ASN437B, ASN440B, ASP106B, ASP106C, ASP108B, ASP108C, ASP233B, ASP239B, ASP344C, ASP417B, ASP439B, GLN143C, GLN176C, GLN18B, GLU101C, GLU118C, GLU141C, GLU231B, GLU243B, GLU244B, GLU93C, GLY110B, GLY110C, GLY236B, GLY240B, HIS174C, HIS241B, ILE208B, ILE336B, ILE336C, LEU10B, LEU13B, LEU145C, LEU14B, LEU16B, LEU177C, LEU17B, LEU19B, LEU237B, LEU337C, LEU76C, LEU98C, LYS117C, LYS140C, LYS144C, LYS15B, LYS175C, LYS180C, LYS227B, LYS308C, LYS341B, LYS341C, LYS343C, LYS8B, LYS9B, PHE111B, PHE234B, PHE419B, PHE79C, PHE96C, PRO438B, SER441B, SER77C, SER78C, THR116C, THR142C, THR242B, THR335C, THR340B, THR340C, TRP226B, TYR115C, TYR230B, TYR342B, TYR342C, VAL139C, VAL146C, VAL173C, VAL232B, VAL97C
• D-E: ALA109D, ARG107D, ARG107E, ARG112E, ARG138E, ARG178E, ARG218D, ASN100E, ASN102E, ASN114E, ASN12D, ASN20D, ASN21D, ASN338D, ASN338E, ASN339D, ASN339E, ASN437D, ASN440D, ASP106D, ASP106E, ASP108D, ASP108E, ASP233D, ASP239D, ASP344E, ASP417D, ASP439D, GLN143E, GLN176E, GLN18D, GLU101E, GLU105D, GLU118E, GLU141E, GLU231D, GLU231E, GLU243D, GLU244D, GLU80E, GLU93E, GLY110D, GLY110E, GLY236D, GLY240D, HIS174E, HIS241D, ILE208D, ILE336E, LEU10D, LEU13D, LEU145E, LEU14D, LEU16D, LEU177E, LEU17D, LEU182E, LEU19D, LEU237D, LEU337E, LEU76E, LEU98E, LYS117E, LYS140E, LYS144E, LYS15D, LYS175E, LYS180E, LYS227D, LYS308E, LYS341D, LYS341E, LYS343E, LYS8D, LYS9D, PHE419D, PHE79E, PHE96E, PRO238D, PRO438D, SER441D, SER77E, SER78E, THR116E, THR142E, THR242D, THR335E, THR340D, THR340E, TRP226D, TYR115E, TYR230D, TYR342D, TYR342E, VAL137E, VAL139E, VAL146E, VAL173E, VAL232D, VAL97E
• D-F: ALA109D, ALA109F, ARG107D, ARG107F, ARG112D, ARG138D, ARG218F, ASN100D, ASN102D, ASN114D, ASN12F, ASN20F, ASN21F, ASN338D, ASN338F, ASN339D, ASN339F, ASN437F, ASN440F, ASP106D, ASP106F, ASP108D, ASP108F, ASP233F, ASP239F, ASP344D, ASP417F, ASP439F, GLN143D, GLN176D, GLN18F, GLU101D, GLU118D, GLU141D, GLU231F, GLU243F, GLU244F, GLU80D, GLU93D, GLY110D, GLY110F, GLY236F, GLY240F, HIS174D, HIS241F, ILE336D, ILE336F, LEU10F, LEU13F, LEU145D, LEU14F, LEU16F, LEU177D, LEU17F, LEU19F, LEU237F, LEU337D, LEU76D, LEU98D, LYS117D, LYS140D, LYS144D, LYS15F, LYS175D, LYS180D, LYS227F, LYS308D, LYS341D, LYS341F, LYS343D, LYS343F, LYS89D, LYS8F, LYS9F, PHE111F, PHE419F, PHE79D, PHE96D, PRO238F, PRO438F, SER441F, SER77D, SER78D, THR116D, THR142D, THR242F, THR335D, THR340D, THR340F, TRP226F, TYR115D, TYR230F, TYR342D, TYR342F, VAL137D, VAL139D, VAL146D, VAL232F, VAL97D
• E-F: ALA109E, ARG107E, ARG107F, ARG112F, ARG138F, ARG178F, ARG218E, ASN100F, ASN102F, ASN114F, ASN12E, ASN20E, ASN21E, ASN338E, ASN338F, ASN339E, ASN339F, ASN437E, ASN440E, ASP106E, ASP106F, ASP108E, ASP108F, ASP233E, ASP239E, ASP344F, ASP417E, ASP439E, GLN143F, GLN176F, GLN18E, GLU101F, GLU105E, GLU118F, GLU141F, GLU231E, GLU243E, GLU80F, GLU93F, GLY110E, GLY110F, GLY236E, GLY240E, HIS174F, HIS241E, ILE336E, ILE336F, LEU10E, LEU13E, LEU145F, LEU14E, LEU16E, LEU177F, LEU17E, LEU182F, LEU19E, LEU237E, LEU337F, LEU76F, LEU98F, LYS117F, LYS140F, LYS144F, LYS15E, LYS175F, LYS180F, LYS227E, LYS308F, LYS341E, LYS341F, LYS343F, LYS8E, LYS9E, PHE111E, PHE419E, PHE79F, PHE96F, PRO238E, PRO438E, SER441E, SER77F, SER78F, THR116F, THR142F, THR335F, THR340E, THR340F, TRP226E, TYR103F, TYR115F, TYR230E, TYR342E, TYR342F, VAL104E, VAL104F, VAL139F, VAL146F, VAL173F, VAL232E, VAL97F