3HLB

simvastatin synthase (lovd) from aspergillus terreus, unliganded, selenomethionyl derivative

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 151
  • Norm. En. per Res.: -2.5471
• 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	-25.0821	53.7681	-285.01	-256.3241	152	19	4	12042	0	55	64
A-C	0.0	0.0	-0.1514	-0.1514	14	0	0	54	0	9	8
A-D	-10.2393	-5.4815	-153.34	-169.0609	79	15	2	6470	0	37	40
B-D	0.0	-0.7953	-71.5946	-72.3899	51	5	0	2888	3	20	32
C-D	-71.1253	-47.3877	-266.102	-384.615	151	27	8	11692	4	56	60

Interface residues

• A-B: ALA158A, ALA158B, ALA175A, ALA175B, ALA247A, ALA247B, ALA24A, ALA24B, ALA261A, ALA261B, ALA321A, ALA321B, ARG154A, ARG154B, ARG173A, ARG173B, ARG244A, ARG244B, ARG250A, ARG250B, ARG252A, ARG252B, ARG260A, ARG260B, ARG28A, ARG28B, ARG396A, ARG396B, ARG400A, ARG400B, ARG56A, ARG56B, ARG73A, ARG73B, ASN245A, ASN245B, ASN326A, ASN326B, ASN391A, ASN391B, ASP248A, ASP248B, ASP254A, ASP254B, ASP255A, ASP255B, ASP262A, ASP392A, ASP392B, ASP397A, ASP397B, CYS395A, CYS395B, GLN159A, GLN159B, GLN163A, GLN163B, GLN171B, GLN270A, GLN270B, GLN29A, GLN29B, GLU155A, GLU155B, GLU166A, GLU166B, GLU265A, GLU265B, GLY121A, GLY121B, GLY160A, GLY160B, GLY249A, GLY249B, HIS150A, HIS150B, HIS161A, HIS161B, HIS243A, HIS243B, HIS324A, HIS324B, ILE30A, ILE30B, ILE325A, ILE325B, LEU149A, LEU149B, LEU153A, LEU153B, LEU162A, LEU162B, LEU174A, LEU251A, LEU251B, LEU387A, LEU387B, LEU398A, LEU398B, LYS167A, LYS167B, LYS23A, LYS23B, LYS26A, LYS26B, MET157A, MET157B, MET333A, MET333B, PHE148A, PHE148B, PHE259A, PHE259B, PHE267B, PRO151A, PRO151B, PRO176A, PRO176B, PRO323A, PRO323B, PRO389A, PRO389B, PRO393A, PRO393B, SER172A, SER172B, SER246A, SER246B, SER256A, SER256B, SER27A, SER27B, SER322A, SER322B, TRP390A, TRP390B, TYR146A, TYR146B, TYR156A, TYR156B, TYR253A, TYR253B, TYR258A, TYR258B, VAL147A, VAL147B, VAL257A, VAL257B, VAL394A, VAL394B, VAL55A, VAL55B
• A-C: ALA321C, ARG237A, ASN60A, ASP119C, ASP233A, ASP69A, GLN209A, GLN317C, GLN67A, HIS324C, PRO151C, PRO232A, PRO323C, VAL68A
• A-D: ALA184D, ALA236A, ALA239A, ALA261A, ALA321D, ARG124D, ARG154D, ARG231A, ARG237A, ARG238A, ARG260A, ARG310D, ARG336D, ARG337D, ARG53A, ARG56A, ARG57A, ASN180D, ASN316D, ASN60A, ASN61A, ASP233A, ASP240A, ASP254A, ASP255A, ASP262A, ASP320D, ASP58A, GLN229A, GLN230A, GLN241A, GLN314D, GLN317D, GLN62A, GLU115D, GLU185D, GLU264A, GLU308D, GLU312D, GLU313D, GLU348D, GLU59A, GLY116D, GLY263A, HIS150D, HIS318D, HIS324D, ILE187D, ILE325D, LEU114D, LEU149D, LEU152D, LEU153D, LEU228A, LEU235A, LEU311D, LEU335D, LEU347D, MET315D, MET319D, MET333D, PHE117D, PHE259A, PRO151D, PRO232A, PRO309D, PRO323D, PRO332D, SER145D, SER256A, SER322D, SER338D, THR54A, TRP186D, TYR253A, TYR258A, VAL179D, VAL257A, VAL334D
• B-D: ALA184D, ALA261B, ALA306D, ARG129D, ARG135D, ARG238B, ARG250B, ARG252B, ARG310D, ARG336D, ARG56B, ARG57B, ASN60B, ASN61B, ASP240B, ASP254B, ASP255B, ASP300D, ASP58B, GLN229B, GLN297D, GLN304D, GLN314D, GLN62B, GLU185D, GLU308D, GLU312D, GLU313D, GLU59B, GLY130D, GLY183D, GLY359D, LEU301D, LEU307D, LEU311D, LEU347D, LEU97D, LYS358D, LYS376D, MET302D, PHE259B, PHE303D, PRO182D, PRO305D, PRO309D, SER338D, THR141D, THR54B, TYR253B, TYR258B, VAL55B
• C-D: ALA158C, ALA158D, ALA165C, ALA165D, ALA175C, ALA175D, ALA190C, ALA190D, ALA20D, ALA247C, ALA247D, ALA24C, ALA24D, ARG154C, ARG154D, ARG173C, ARG173D, ARG244C, ARG244D, ARG250C, ARG250D, ARG252C, ARG252D, ARG28C, ARG28D, ARG396C, ARG396D, ARG56D, ARG73C, ARG73D, ASN245C, ASN245D, ASN326C, ASN326D, ASN391C, ASN391D, ASP193C, ASP193D, ASP248C, ASP248D, ASP254C, ASP254D, ASP255C, ASP262C, ASP392C, ASP392D, ASP397C, ASP397D, CYS395C, CYS395D, GLN159C, GLN159D, GLN163C, GLN163D, GLN171C, GLN171D, GLN229C, GLN270C, GLN270D, GLN29C, GLN29D, GLU155C, GLU155D, GLU166C, GLU166D, GLU265C, GLU388C, GLY160C, GLY160D, GLY189C, GLY189D, GLY249C, GLY249D, GLY263C, HIS150C, HIS150D, HIS161C, HIS161D, HIS243C, HIS243D, HIS324C, HIS324D, ILE170C, ILE170D, ILE30C, ILE30D, ILE325C, ILE325D, LEU149C, LEU149D, LEU153C, LEU153D, LEU162C, LEU162D, LEU174C, LEU174D, LEU251C, LEU251D, LEU387C, LEU387D, LEU398C, LEU398D, LYS167C, LYS167D, LYS23C, LYS23D, LYS26C, LYS26D, LYS79C, LYS79D, MET157C, MET157D, PHE148C, PHE148D, PHE267C, PHE267D, PRO151C, PRO151D, PRO176C, PRO176D, PRO323C, PRO323D, PRO389C, PRO389D, PRO393C, PRO393D, SER145C, SER145D, SER164C, SER164D, SER172C, SER172D, SER246C, SER246D, SER27C, SER27D, TRP390C, TRP390D, TYR146C, TYR146D, TYR156C, TYR156D, TYR188C, TYR253D, VAL147C, VAL147D, VAL25C, VAL25D, VAL394C, VAL394D, VAL55D