3SSM

myce methyltransferase from the mycinamycin biosynthetic pathway in complex with mg and sah, crystal form 1

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 217
  • Norm. En. per Res.: -4.6037
• 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	-102.8162	-80.4567	-456.285	-639.5579	200	20	3	17727	9	110	116
A-C	-46.6987	-67.3318	-426.894	-540.9245	159	8	10	15330	19	49	52
A-D	-148.1637	-81.6571	-769.192	-999.0128	217	27	23	29166	12	64	56
B-C	-114.7452	-60.6248	-514.155	-689.5249	156	22	19	20060	10	46	44
B-D	-38.5823	-35.7235	-232.002	-306.3078	128	9	4	9315	17	42	49
C-D	-105.4022	-87.0526	-511.295	-703.7498	205	28	4	18893	10	112	120

Interface residues

• A-B: ALA118A, ALA118B, ALA135A, ALA135B, ALA19A, ALA19B, ALA64A, ALA64B, ARG107A, ARG107B, ARG116A, ARG116B, ARG121A, ARG121B, ARG17A, ARG17B, ARG191A, ARG191B, ARG194A, ARG194B, ARG199A, ARG199B, ARG227A, ARG227B, ARG264B, ARG27A, ARG27B, ARG295A, ARG295B, ARG355A, ARG355B, ARG373A, ARG373B, ARG71A, ARG71B, ASN195A, ASN195B, ASN356A, ASN356B, ASN374A, ASN374B, ASP131A, ASP131B, ASP132B, ASP14A, ASP14B, ASP192A, ASP192B, ASP23A, ASP23B, ASP270A, ASP270B, ASP375A, ASP375B, GLN13A, GLN13B, GLN196A, GLN196B, GLN197A, GLN197B, GLN229A, GLN229B, GLN340A, GLN340B, GLU101A, GLU101B, GLU104A, GLU104B, GLU115A, GLU115B, GLU25A, GLU25B, GLU28A, GLU28B, GLU370A, GLU370B, GLU376A, GLU376B, GLU99A, GLU99B, GLY111A, GLY111B, GLY119A, GLY119B, GLY122A, GLY122B, GLY20A, GLY20B, GLY21A, GLY21B, GLY228A, GLY228B, GLY267A, GLY267B, GLY297A, GLY297B, GLY298A, GLY298B, GLY359A, GLY359B, GLY372A, GLY372B, GLY377A, GLY377B, GLY378A, GLY378B, HIS114A, HIS114B, HIS189A, HIS189B, HIS22A, HIS22B, HIS361A, HIS361B, ILE139A, ILE139B, ILE271A, ILE271B, ILE357A, ILE357B, ILE379A, ILE379B, ILE383A, ILE383B, ILE65A, ILE65B, LEU102A, LEU102B, LEU105A, LEU125A, LEU125B, LEU129A, LEU129B, LEU143A, LEU143B, LEU18A, LEU18B, LEU26A, LEU26B, LEU299A, LEU299B, LEU97B, LYS124A, LYS124B, LYS371A, LYS371B, MET96A, MET96B, PHE126A, PHE126B, PHE190A, PHE190B, PHE269A, PHE269B, PRO117A, PRO117B, PRO268A, PRO268B, PRO296A, PRO296B, PRO380A, PRO380B, SER24A, SER24B, THR103A, THR103B, THR113A, THR113B, THR123A, THR123B, THR130A, THR381A, THR381B, TRP382A, TRP382B, TYR100A, TYR100B, TYR193A, TYR193B, TYR231A, TYR231B, TYR266A, TYR266B, VAL112A, VAL112B, VAL120A, VAL120B, VAL136A, VAL136B, VAL16B, VAL198A, VAL198B, VAL200A, VAL200B, VAL358A, VAL358B, VAL66A, VAL66B, VAL98A, VAL98B
• A-C: ALA118A, ALA118C, ALA145A, ALA145C, ALA146A, ALA146C, ALA152A, ALA152C, ALA155A, ALA155C, ARG116A, ARG116C, ARG121A, ARG121C, ARG160A, ARG160C, ARG170A, ARG170C, ARG188A, ARG188C, ARG191A, ARG191C, ARG80A, ARG80C, ASN55A, ASN55C, ASP163A, ASP163C, ASP187A, ASP187C, ASP56A, ASP56C, ASP81A, ASP81C, GLN147A, GLN147C, GLN148A, GLN148C, GLU115A, GLU115C, GLU151A, GLU151C, GLU166A, GLU166C, GLY119A, GLY119C, GLY122A, GLY122C, GLY149A, GLY149C, GLY177A, GLY177C, GLY95A, GLY95C, HIS114A, HIS114C, HIS180A, HIS180C, HIS185A, HIS185C, HIS189A, HIS189C, HIS364A, HIS364C, ILE139A, ILE139C, LEU125A, LEU125C, LEU129A, LEU129C, LEU143A, LEU143C, LEU144A, LEU144C, LEU154A, LEU154C, LEU164A, LEU164C, LEU167A, LEU167C, LEU179A, LEU179C, LEU97A, LEU97C, LYS124A, LYS124C, LYS161A, LYS161C, LYS175A, LYS175C, MET220A, MET220C, MET96A, MET96C, PHE126A, PHE126C, PHE172A, PHE172C, PHE176A, PHE176C, PHE178A, PHE178C, PHE182A, PHE182C, PHE224A, PHE224C, PHE93A, PHE93C, PRO117A, PRO117C, PRO127A, PRO127C, PRO162A, PRO162C, PRO174A, PRO174C, PRO184A, PRO184C, PRO51A, PRO51C, PRO52A, PRO52C, PRO53C, SER165A, SER165C, SER168A, SER168C, SER169A, SER169C, SER54A, SER54C, SER82C, THR123A, THR123C, THR150A, THR150C, THR173A, THR173C, THR183A, THR183C, TRP181A, TRP181C, TYR142A, TYR142C, TYR171A, TYR171C, TYR186A, TYR186C, TYR363A, TYR363C, VAL153A, VAL59A, VAL59C, VAL61A, VAL61C, VAL94A, VAL94C, VAL98A, VAL98C
• A-D: ALA308A, ALA308D, ALA317A, ALA317D, ALA336A, ALA336D, ALA367A, ALA367D, ALA393A, ALA393D, 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, GLU303A, 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, GLY396D, 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, 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, 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: ALA308C, ALA317C, ALA336B, ALA336C, ALA367B, ALA367C, ALA393B, ARG188B, ARG188C, ARG191B, ARG191C, ARG348B, ARG385B, ASN280C, ASN365B, ASN365C, ASN374B, ASN374C, ASP192B, ASP192C, ASP304B, ASP304C, ASP318C, ASP335B, ASP335C, ASP345B, ASP375B, ASP375C, ASP386B, CYS322C, GLN253C, GLN316C, GLN320C, GLN338B, GLN338C, GLN340B, GLN392B, GLU212C, GLU303C, GLU341B, GLU370B, GLU370C, GLU376B, GLU376C, GLU388B, GLY206C, GLY207C, GLY276C, GLY297C, GLY312C, GLY314C, GLY315C, GLY324B, GLY328B, GLY328C, GLY359B, GLY359C, GLY377B, GLY377C, GLY378B, GLY378C, GLY396B, GLY397B, HIS180C, HIS185B, HIS185C, HIS189B, HIS189C, HIS210C, HIS278C, HIS282C, HIS339B, HIS361B, HIS361C, HIS364B, HIS364C, ILE235C, ILE279C, ILE302B, ILE334B, ILE334C, ILE337B, ILE337C, ILE357B, ILE357C, ILE379B, ILE379C, ILE383B, LEU179C, LEU299B, LEU299C, LEU327B, LEU327C, LEU329B, LEU329C, LEU330B, LEU330C, LEU333B, LEU333C, LEU342B, LEU360B, LEU360C, LEU390B, LYS209C, LYS238C, LYS331B, LYS331C, MET236C, MET305C, PHE176C, PHE178C, PHE182B, PHE182C, PHE313C, PHE368B, PHE368C, PHE387B, PRO184B, PRO184C, PRO211C, PRO311C, PRO319C, PRO343B, PRO380B, PRO384B, SER277C, SER323B, SER326B, SER326C, SER332B, SER332C, SER344B, SER389B, SER394B, SER395B, THR307C, THR325C, THR381B, TRP181C, TRP213C, TRP306C, TRP310C, TRP382B, TYR193B, TYR193C, TYR208C, TYR309C, TYR363B, TYR363C, VAL358B, VAL358C, VAL362B, VAL362C, VAL366B, VAL366C, VAL391B
• B-D: ALA118B, ALA118D, ALA145B, ALA146B, ALA152B, ALA152D, ALA155B, ALA155D, ARG116B, ARG116D, ARG121B, ARG121D, ARG160B, ARG160D, ARG170B, ARG170D, ARG188B, ARG188D, ARG191B, ARG191D, ARG80B, ARG80D, ASN55B, ASN55D, ASP163B, ASP163D, ASP187B, ASP187D, ASP56B, ASP56D, ASP81B, ASP81D, GLN147B, GLN147D, GLN148B, GLN148D, GLU115B, GLU115D, GLU151B, GLU151D, GLU166B, GLU166D, GLY119B, GLY119D, GLY122B, GLY149B, GLY149D, GLY177D, GLY95B, HIS114B, HIS114D, HIS180D, HIS185B, HIS185D, HIS189B, HIS189D, HIS364B, HIS364D, ILE139B, LEU125B, LEU129B, LEU143B, LEU143D, LEU144B, LEU144D, LEU154B, LEU154D, LEU164B, LEU164D, LEU167B, LEU167D, LEU179D, LEU97B, LYS124B, LYS161B, LYS161D, LYS175D, MET220B, MET96B, PHE126B, PHE172B, PHE172D, PHE176D, PHE178D, PHE182B, PHE182D, PHE224B, PHE224D, PHE93B, PRO117B, PRO117D, PRO127B, PRO162B, PRO162D, PRO174D, PRO184B, PRO184D, PRO51B, PRO51D, PRO52B, PRO52D, PRO53D, SER165B, SER165D, SER168B, SER168D, SER169B, SER169D, SER54B, SER54D, SER82D, THR123B, THR150B, THR150D, THR173D, THR183B, THR183D, TRP181D, TYR142B, TYR171B, TYR171D, TYR186B, TYR186D, TYR363B, TYR363D, VAL59B, VAL94B, VAL98B
• C-D: ALA118C, ALA118D, ALA135C, ALA135D, ALA19C, ALA19D, ALA64C, ALA64D, ARG107C, ARG107D, ARG116C, ARG116D, ARG121C, ARG121D, ARG17C, ARG17D, ARG191C, ARG191D, ARG194C, ARG194D, ARG199C, ARG199D, ARG227C, ARG227D, ARG27C, ARG27D, ARG295C, ARG295D, ARG355C, ARG355D, ARG373C, ARG373D, ARG71C, ARG71D, ASN195C, ASN195D, ASN356C, ASN356D, ASN374C, ASN374D, ASP131D, ASP132D, ASP14C, ASP14D, ASP192C, ASP192D, ASP23C, ASP23D, ASP270C, ASP270D, ASP375C, ASP375D, GLN138D, GLN13C, GLN13D, GLN196C, GLN196D, GLN197C, GLN197D, GLN229C, GLN229D, GLN340D, GLU101C, GLU101D, GLU104C, GLU104D, GLU115C, GLU115D, GLU25C, GLU25D, GLU28C, GLU28D, GLU370C, GLU370D, GLU376C, GLU376D, GLU99C, GLU99D, GLY111C, GLY111D, GLY119C, GLY119D, GLY122C, GLY122D, GLY20C, GLY20D, GLY21C, GLY21D, GLY228C, GLY228D, GLY267C, GLY267D, GLY297C, GLY297D, GLY298C, GLY298D, GLY359C, GLY359D, GLY372C, GLY372D, GLY377C, GLY377D, GLY378C, GLY378D, GLY95D, HIS114C, HIS114D, HIS189C, HIS189D, HIS22C, HIS22D, HIS361C, HIS361D, ILE139C, ILE139D, ILE271C, ILE271D, ILE357C, ILE357D, ILE379C, ILE379D, ILE383D, ILE65C, ILE65D, LEU102C, LEU102D, LEU105D, LEU125C, LEU125D, LEU129C, LEU129D, LEU143C, LEU143D, LEU154D, LEU18C, LEU18D, LEU26C, LEU26D, LEU299C, LEU299D, LEU97C, LEU97D, LYS124C, LYS124D, LYS371C, LYS371D, MET96C, MET96D, PHE126C, PHE126D, PHE190C, PHE190D, PHE269C, PHE269D, PHE93D, PRO117C, PRO117D, PRO127D, PRO268C, PRO268D, PRO296C, PRO296D, PRO380C, PRO380D, PRO384D, SER24C, SER24D, THR103C, THR103D, THR113C, THR113D, THR123C, THR123D, THR130D, THR150D, THR381C, THR381D, TRP382C, TRP382D, TYR100C, TYR100D, TYR128D, TYR193C, TYR193D, TYR231C, TYR231D, TYR266C, TYR266D, VAL112C, VAL112D, VAL120C, VAL120D, VAL136C, VAL136D, VAL16D, VAL198C, VAL198D, VAL200C, VAL200D, VAL358C, VAL358D, VAL66C, VAL66D, VAL98C, VAL98D