3SSO

myce methyltransferase from the mycinamycin biosynthetic pathway in complex with mg and sah, crystal form 2

• Total interactions analyzed: 15
• Total true interactions: 10
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 219
  • Norm. En. per Res.: -4.8347
• 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	-38.297	-66.4746	-381.456	-486.2276	157	6	7	13954	20	48	53
A-C	-88.149	15.257	-447.715	-520.607	194	17	3	17351	8	110	116
A-D	-160.1737	-80.7215	-805.563	-1046.4581	222	27	22	30520	8	64	59
B-C	-167.6891	-80.6341	-810.466	-1058.7892	219	31	22	30524	8	64	59
B-D	-91.4982	3.987	-459.024	-546.5352	197	18	3	17496	9	109	115
B-F	-14.8553	-64.1196	-58.2883	-137.2632	39	3	0	2474	5	14	18
C-D	-34.6304	-88.9113	-375.405	-498.9467	156	9	7	13888	17	48	52
C-F	-18.4394	-17.1639	-77.9331	-113.5363	40	3	0	2815	1	11	13
D-F	0.0	20.4505	-12.1579	8.2926	17	0	0	654	0	6	19
E-F	-26.914	-46.6209	-383.667	-457.2019	158	6	6	14025	17	48	52

Interface residues

• A-B: ALA118A, ALA118B, ALA145A, ALA145B, ALA146A, ALA146B, ALA152A, ALA152B, ALA155A, ALA155B, ARG116A, ARG116B, ARG121A, ARG121B, ARG160A, ARG160B, ARG170A, ARG170B, ARG188A, ARG188B, ARG191A, ARG191B, ARG80A, ARG80B, ASN55A, ASN55B, ASP163A, ASP163B, ASP187A, ASP187B, ASP56A, ASP56B, ASP81A, ASP81B, GLN147A, GLN147B, GLN148A, GLN148B, GLU115A, GLU115B, GLU151A, GLU151B, GLU166A, GLU166B, GLY119A, GLY119B, GLY122A, GLY122B, GLY149A, GLY149B, GLY177A, GLY177B, GLY95A, GLY95B, HIS114A, HIS114B, HIS180A, HIS180B, HIS185A, HIS185B, HIS189A, HIS189B, HIS364A, HIS364B, ILE139A, ILE139B, LEU125A, LEU125B, LEU129A, LEU129B, LEU143A, LEU143B, LEU144A, LEU144B, LEU154A, LEU154B, LEU164A, LEU164B, LEU167A, LEU167B, LEU179A, LEU179B, LEU60B, LEU97A, LEU97B, LYS124A, LYS124B, LYS161A, LYS161B, LYS175A, LYS175B, MET220B, MET96A, MET96B, PHE126A, PHE126B, PHE172A, PHE172B, PHE176A, PHE176B, PHE178A, PHE178B, PHE182A, PHE182B, PHE224A, PHE224B, PHE93A, PHE93B, PRO117A, PRO117B, PRO127A, PRO127B, PRO162A, PRO162B, PRO174A, PRO174B, PRO184A, PRO184B, PRO51A, PRO51B, PRO52A, PRO52B, PRO53A, SER165A, SER165B, SER168A, SER168B, SER169A, SER169B, SER54A, SER54B, THR123A, THR123B, THR150A, THR150B, THR173A, THR173B, THR183A, THR183B, TRP181A, TRP181B, TYR142A, TYR142B, TYR171A, TYR171B, TYR186A, TYR186B, TYR363A, TYR363B, VAL59A, VAL59B, VAL61A, VAL61B, VAL94A, VAL94B, VAL98A, VAL98B
• A-C: ALA118A, ALA118C, ALA135A, ALA135C, ALA19A, ALA19C, ALA393C, ALA64A, ALA64C, ARG107A, ARG107C, ARG116A, ARG116C, ARG121A, ARG121C, ARG17A, ARG17C, ARG191A, ARG191C, ARG194A, ARG194C, ARG199A, ARG199C, ARG227A, ARG227C, ARG27A, ARG27C, ARG295A, ARG295C, ARG355A, ARG355C, ARG373A, ARG373C, ARG71A, ARG71C, ASN195A, ASN195C, ASN356A, ASN356C, ASN374A, ASN374C, ASP131A, ASP131C, ASP14A, ASP14C, ASP192A, ASP192C, ASP23A, ASP23C, ASP270A, ASP270C, ASP375A, ASP375C, GLN13A, GLN13C, GLN196A, GLN196C, GLN197A, GLN197C, GLN229A, GLN229C, GLN340A, GLN340C, GLU101A, GLU101C, GLU104A, GLU104C, GLU108C, GLU115A, GLU115C, GLU25A, GLU25C, GLU28A, GLU28C, GLU370A, GLU370C, GLU376A, GLU376C, GLU99A, GLU99C, GLY111A, GLY111C, GLY119A, GLY119C, GLY122A, GLY122C, GLY20A, GLY20C, GLY21A, GLY21C, GLY228A, GLY228C, GLY267A, GLY267C, GLY297A, GLY297C, GLY298A, GLY298C, GLY359A, GLY359C, GLY372A, GLY372C, GLY377A, GLY377C, GLY378A, GLY378C, HIS114A, HIS114C, HIS189A, HIS189C, HIS22A, HIS22C, HIS361A, HIS361C, ILE139A, ILE139C, ILE271A, ILE271C, ILE357A, ILE357C, ILE379A, ILE379C, ILE383A, ILE383C, LEU102A, LEU102C, LEU125A, LEU125C, LEU129A, LEU129C, LEU143A, LEU143C, LEU18A, LEU18C, LEU26A, LEU26C, LEU299A, LEU299C, LYS124A, LYS124C, LYS371A, LYS371C, MET96A, MET96C, PHE126A, PHE126C, PHE190A, PHE190C, PHE269A, PHE269C, PRO117A, PRO117C, PRO268A, PRO268C, PRO296A, PRO296C, PRO380A, PRO380C, SER24A, SER24C, THR103A, THR103C, THR113A, THR113C, THR123A, THR123C, THR381A, THR381C, TRP382A, TRP382C, TYR100A, TYR100C, TYR193A, TYR193C, TYR231A, TYR231C, TYR266A, TYR266C, VAL112A, VAL112C, VAL120A, VAL120C, VAL136A, VAL136C, VAL198A, VAL198C, VAL200A, VAL200C, VAL358A, VAL358C, VAL66A, VAL66C, VAL98A, VAL98C
• A-D: ALA308A, ALA308D, ALA317A, ALA317D, ALA336A, ALA336D, ALA367A, ALA367D, ALA393A, ALA393D, ALA398A, ALA398D, ARG188A, ARG188D, ARG191A, ARG191D, ARG348A, ARG348D, ARG385A, ARG385D, ASN280A, ASN280D, ASN365A, ASN365D, ASN374A, ASN374D, ASP192A, ASP192D, ASP304A, ASP304D, ASP318A, ASP318D, ASP335A, ASP335D, ASP375A, ASP375D, ASP386A, ASP386D, CYS322A, CYS322D, GLN253A, GLN253D, GLN316A, GLN316D, GLN320A, GLN320D, GLN338A, GLN338D, GLN340A, GLN340D, GLN392A, GLN392D, GLU212A, GLU212D, GLU303D, GLU341A, GLU341D, GLU370A, GLU370D, GLU376A, GLU376D, GLU388A, GLU388D, GLY206A, GLY206D, GLY207A, GLY207D, GLY276A, GLY276D, GLY312A, GLY312D, GLY314A, GLY314D, GLY315A, GLY315D, GLY328A, GLY328D, GLY359A, GLY359D, GLY377A, GLY377D, GLY378A, GLY378D, GLY396A, GLY396D, GLY397A, GLY397D, HIS180A, HIS180D, HIS185A, HIS185D, HIS189A, HIS189D, HIS210A, HIS210D, HIS278A, HIS278D, HIS282A, HIS282D, HIS339A, HIS339D, HIS361A, HIS361D, HIS364A, HIS364D, ILE235A, ILE235D, ILE279A, ILE279D, ILE334A, ILE334D, ILE337A, ILE337D, ILE357A, ILE357D, ILE379A, ILE379D, ILE383A, ILE383D, LEU179A, LEU179D, LEU299A, LEU299D, LEU327A, LEU327D, LEU329A, LEU329D, LEU330A, LEU330D, LEU333A, LEU333D, LEU342A, LEU342D, LEU360A, LEU360D, LEU390A, LEU390D, LYS209A, LYS209D, LYS238A, LYS238D, LYS331A, LYS331D, MET236A, MET236D, MET305A, MET305D, PHE176A, PHE176D, PHE178A, PHE178D, PHE182A, PHE182D, PHE313A, PHE313D, PHE368A, PHE368D, PHE387A, PHE387D, PRO184A, PRO184D, PRO211A, PRO211D, PRO311A, PRO311D, PRO319A, PRO319D, PRO343A, PRO343D, PRO380A, PRO380D, PRO384A, PRO384D, SER277A, SER277D, SER323A, SER323D, SER326A, SER326D, SER332A, SER332D, SER344A, SER344D, SER389A, SER389D, SER394A, SER394D, SER395A, SER395D, THR307A, THR307D, THR325A, THR325D, THR381A, THR381D, THR399D, TRP181A, TRP181D, TRP213A, TRP213D, TRP306A, TRP306D, TRP310A, TRP310D, TRP382A, TRP382D, TYR193A, TYR193D, TYR208A, TYR208D, TYR309A, TYR309D, TYR363A, TYR363D, VAL358A, VAL358D, VAL362A, VAL362D, VAL366A, VAL366D, VAL391A, VAL391D
• B-C: ALA308B, ALA308C, ALA317B, ALA317C, ALA336B, ALA336C, ALA367B, ALA367C, ALA393B, ALA393C, ALA398B, ALA398C, ARG188B, ARG188C, ARG191B, ARG191C, ARG348B, ARG348C, ARG385B, ARG385C, ASN280B, ASN280C, ASN365B, ASN365C, ASN374B, ASN374C, ASP192B, ASP192C, ASP304B, ASP304C, ASP318B, ASP318C, ASP335B, ASP335C, ASP375B, ASP375C, ASP386B, ASP386C, CYS322B, CYS322C, GLN253B, GLN253C, GLN316B, GLN316C, GLN320B, GLN320C, GLN338B, GLN338C, GLN340B, GLN340C, GLN392B, GLN392C, GLU212B, GLU212C, GLU341B, GLU341C, GLU370B, GLU370C, GLU376B, GLU376C, GLU388B, GLU388C, GLY206B, GLY206C, GLY207B, GLY207C, GLY276B, GLY276C, GLY312B, GLY312C, GLY314B, GLY314C, GLY315B, GLY315C, GLY328B, GLY328C, GLY359B, GLY359C, GLY377B, GLY377C, GLY378B, GLY378C, GLY396B, GLY396C, GLY397B, GLY397C, HIS180B, HIS180C, HIS185B, HIS185C, HIS189B, HIS189C, HIS210B, HIS210C, HIS278B, HIS278C, HIS282B, HIS282C, HIS339B, HIS339C, HIS361B, HIS361C, HIS364B, HIS364C, ILE235B, ILE235C, ILE279B, ILE279C, ILE334B, ILE334C, ILE337B, ILE337C, ILE357B, ILE357C, ILE379B, ILE379C, ILE383B, ILE383C, LEU179B, LEU179C, LEU299B, LEU299C, LEU327B, LEU327C, LEU329B, LEU329C, LEU330B, LEU330C, LEU333B, LEU333C, LEU342B, LEU342C, LEU360B, LEU360C, LEU390B, LEU390C, LYS209B, LYS209C, LYS238B, LYS238C, LYS331B, LYS331C, MET236B, MET236C, MET305B, MET305C, PHE176B, PHE176C, PHE178B, PHE178C, PHE182B, PHE182C, PHE313B, PHE313C, PHE368B, PHE368C, PHE387B, PHE387C, PRO184B, PRO184C, PRO211B, PRO211C, PRO311B, PRO311C, PRO319B, PRO319C, PRO343B, PRO343C, PRO380B, PRO380C, PRO384B, PRO384C, SER277B, SER277C, SER323B, SER323C, SER326B, SER326C, SER332B, SER332C, SER344B, SER344C, SER389B, SER389C, SER394B, SER394C, SER395B, SER395C, THR307B, THR307C, THR381B, THR381C, THR399B, TRP181B, TRP181C, TRP213B, TRP213C, TRP306B, TRP306C, TRP310B, TRP310C, TRP382B, TRP382C, TYR193B, TYR193C, TYR208B, TYR208C, TYR309B, TYR309C, TYR363B, TYR363C, VAL358B, VAL358C, VAL362B, VAL362C, VAL366B, VAL366C, VAL391B, VAL391C
• B-D: ALA118B, ALA118D, ALA135B, ALA135D, ALA19B, ALA19D, ALA64B, ALA64D, ARG107B, ARG107D, ARG116B, ARG116D, ARG121B, ARG121D, ARG17B, ARG17D, ARG191B, ARG191D, ARG194B, ARG194D, ARG199B, ARG199D, ARG227B, ARG227D, ARG264B, ARG264D, ARG27B, ARG27D, ARG295B, ARG295D, ARG355B, ARG355D, ARG373B, ARG373D, ARG71B, ARG71D, ASN195B, ASN195D, ASN356B, ASN356D, ASN374B, ASN374D, ASP131B, ASP131D, ASP14B, ASP14D, ASP192B, ASP192D, ASP23B, ASP23D, ASP270B, ASP270D, ASP375B, ASP375D, GLN13B, GLN13D, GLN196B, GLN196D, GLN197B, GLN197D, GLN229B, GLN229D, GLN340B, GLN340D, GLU101B, GLU101D, GLU104B, GLU104D, GLU115B, GLU115D, GLU25B, GLU25D, GLU28B, GLU28D, GLU370B, GLU370D, GLU376B, GLU376D, GLU99B, GLU99D, GLY111B, GLY111D, GLY119B, GLY119D, GLY122B, GLY122D, GLY20B, GLY20D, GLY21B, GLY21D, GLY228B, GLY228D, GLY267B, GLY267D, GLY297B, GLY297D, GLY298B, GLY298D, GLY359B, GLY359D, GLY372B, GLY372D, GLY377B, GLY377D, GLY378B, GLY378D, HIS114B, HIS114D, HIS189B, HIS189D, HIS22B, HIS22D, HIS361B, HIS361D, ILE139B, ILE139D, ILE271B, ILE271D, ILE357B, ILE357D, ILE379B, ILE379D, ILE383B, ILE383D, ILE65D, LEU102B, LEU102D, LEU105D, LEU125B, LEU125D, LEU129B, LEU129D, LEU143B, LEU143D, LEU18B, LEU18D, LEU26B, LEU26D, LEU299B, LEU299D, LEU97D, LYS124B, LYS124D, LYS371B, LYS371D, MET96B, MET96D, PHE126B, PHE126D, PHE190B, PHE190D, PHE269B, PHE269D, PRO117B, PRO117D, PRO268B, PRO268D, PRO296B, PRO296D, PRO380B, PRO380D, SER24B, SER24D, THR103B, THR103D, THR113B, THR113D, THR123B, THR123D, THR381B, THR381D, TRP382B, TRP382D, TYR100B, TYR100D, TYR193B, TYR193D, TYR231B, TYR231D, TYR266B, TYR266D, VAL112B, VAL112D, VAL120B, VAL120D, VAL136B, VAL136D, VAL198B, VAL198D, VAL200B, VAL200D, VAL358B, VAL358D, VAL66B, VAL66D, VAL98B, VAL98D
• B-F: ALA393B, ALA398B, ARG247F, ARG261F, ARG265F, ARG385B, ASP237F, ASP242F, ASP252F, ASP255F, ASP386B, ASP8F, GLN250F, GLN392B, GLU257F, GLU388B, GLU9F, GLY251F, GLY397B, HIS240F, ILE249F, ILE262F, LEU233F, LEU390B, LYS238F, MET236F, PHE258F, PHE387B, PRO211F, PRO384B, SER239F, SER389B, THR248F, THR381B, THR399B, TRP382B, TYR266F, VAL241F, VAL391B
• C-D: ALA118C, ALA118D, ALA145C, ALA145D, ALA146C, ALA146D, ALA152C, ALA152D, ALA155C, ALA155D, ARG116C, ARG116D, ARG121C, ARG121D, ARG160C, ARG160D, ARG170C, ARG170D, ARG188C, ARG188D, ARG191C, ARG191D, ARG80C, ARG80D, ASN55C, ASN55D, ASP163C, ASP163D, ASP187C, ASP187D, ASP56C, ASP56D, ASP81C, ASP81D, GLN147C, GLN147D, GLN148C, GLN148D, GLU115C, GLU115D, GLU151C, GLU151D, GLU166C, GLU166D, GLY119C, GLY119D, GLY122C, GLY122D, GLY149C, GLY149D, GLY177C, GLY177D, GLY95C, GLY95D, HIS114C, HIS114D, HIS180C, HIS180D, HIS185C, HIS185D, HIS189C, HIS189D, HIS364C, HIS364D, ILE139C, ILE139D, LEU125C, LEU125D, LEU129C, LEU129D, LEU143C, LEU143D, LEU144C, LEU144D, LEU154C, LEU154D, LEU164C, LEU164D, LEU167C, LEU167D, LEU179C, LEU179D, LEU97C, LEU97D, LYS124C, LYS124D, LYS161C, LYS161D, LYS175C, LYS175D, MET220C, MET220D, MET96C, MET96D, PHE126C, PHE126D, PHE172C, PHE172D, PHE176C, PHE176D, PHE178C, PHE178D, PHE182C, PHE182D, PHE224D, PHE93C, PHE93D, PRO117C, PRO117D, PRO127C, PRO127D, PRO162C, PRO162D, PRO174C, PRO174D, PRO184C, PRO184D, PRO51C, PRO51D, PRO52C, PRO52D, PRO53C, SER165C, SER165D, SER168C, SER168D, SER169C, SER169D, SER54C, SER54D, SER82D, THR123C, THR123D, THR150C, THR150D, THR173C, THR173D, THR183C, THR183D, TRP181C, TRP181D, TYR142C, TYR142D, TYR171C, TYR171D, TYR186C, TYR186D, TYR363C, TYR363D, VAL59D, VAL61C, VAL61D, VAL94C, VAL94D, VAL98C, VAL98D
• C-F: ALA263F, ALA281C, ALA317C, ARG261F, ARG264F, ARG265F, ASN254C, ASN280C, ASP237F, ASP255F, ASP260F, ASP318C, GLN250F, GLN316C, GLU257F, GLU321C, GLY267F, GLY312C, GLY314C, GLY315C, GLY324C, HIS278C, HIS282C, HIS293F, ILE235F, ILE262F, ILE279C, LYS209C, LYS238F, MET236F, PHE258F, PHE313C, PRO311C, SER239F, SER277C, THR285C, THR325C, TRP310C, TYR266F, TYR309C
• D-F: ALA36F, ARG40F, ASP131D, ASP132D, ASP34F, ASP8F, GLU133D, GLU134D, GLU6F, ILE38F, LEU41F, LYS32F, MET37F, PHE7F, THR11F, TYR33F, VAL136D
• E-F: ALA118E, ALA118F, ALA145E, ALA145F, ALA146E, ALA146F, ALA152E, ALA152F, ALA155E, ALA155F, ARG116E, ARG116F, ARG121E, ARG121F, ARG160E, ARG160F, ARG170E, ARG170F, ARG188E, ARG188F, ARG191E, ARG191F, ARG80E, ARG80F, ASN55E, ASN55F, ASP163E, ASP163F, ASP187E, ASP187F, ASP56E, ASP56F, ASP81E, ASP81F, GLN147E, GLN147F, GLN148E, GLN148F, GLU115E, GLU115F, GLU151E, GLU151F, GLU166E, GLU166F, GLY119E, GLY119F, GLY122E, GLY122F, GLY149E, GLY149F, GLY177E, GLY177F, GLY95E, GLY95F, HIS114E, HIS114F, HIS180E, HIS180F, HIS185E, HIS185F, HIS189E, HIS189F, HIS364E, HIS364F, ILE139E, ILE139F, LEU125E, LEU125F, LEU129E, LEU129F, LEU143E, LEU143F, LEU144E, LEU144F, LEU154E, LEU154F, LEU164E, LEU164F, LEU167E, LEU167F, LEU179E, LEU179F, LEU97E, LEU97F, LYS124E, LYS124F, LYS161E, LYS161F, LYS175E, LYS175F, MET220E, MET96E, MET96F, PHE126E, PHE126F, PHE172E, PHE172F, PHE176E, PHE176F, PHE178E, PHE178F, PHE182E, PHE182F, PHE224E, PHE93E, PHE93F, PRO117E, PRO117F, PRO127E, PRO127F, PRO162E, PRO162F, PRO174E, PRO174F, PRO184E, PRO184F, PRO51E, PRO51F, PRO52E, PRO52F, PRO53E, PRO53F, SER165E, SER165F, SER168E, SER168F, SER169E, SER169F, SER54E, SER54F, SER82E, SER82F, THR123E, THR123F, THR150E, THR150F, THR173E, THR173F, THR183E, THR183F, TRP181E, TRP181F, TYR142E, TYR142F, TYR171E, TYR171F, TYR186E, TYR186F, TYR363E, TYR363F, VAL59E, VAL59F, VAL61E, VAL61F, VAL94E, VAL94F, VAL98E, VAL98F