4A0L

structure of ddb1-ddb2-cul4b-rbx1 bound to a 12 bp abasic site containing dna-duplex

• Total interactions analyzed: 66
• Total true interactions: 6
• Strongest Interaction:
  • Chains: H-I
  • Int. Res.: 117
  • Norm. En. per Res.: -6.2586
• 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	-7.947	-50.849	-127.762	-186.558	197	111	17	18031	6	60	57
A-E	-17.2975	-18.0259	-211.072	-246.3954	130	41	5	11740	1	47	30
C-D	-31.6872	-115.0005	-286.723	-433.4107	213	87	13	19833	9	63	60
C-H	-26.0676	-44.6152	-215.743	-286.4257	196	53	6	14511	3	59	44
E-F	-127.111	-64.6699	-456.449	-648.2299	114	29	15	17917	1	32	32
H-I	-139.9549	-69.0524	-523.251	-732.2583	117	23	15	19287	1	34	32

Interface residues

• A-B: ALA120B, ALA381A, ALA813A, ALA834A, ALA841A, ALA869A, ALA911A, ARG1080A, ARG111A, ARG114A, ARG123B, ARG132B, ARG158A, ARG249B, ARG289B, ARG309B, ARG327A, ARG722A, ARG739A, ARG928A, ARG947A, ASN1005A, ASN204B, ASN206B, ASN287B, ASN333B, ASN412B, ASN810A, ASN885A, ASN907A, ASN908A, ASN950A, ASN952A, ASN970A, ASP110A, ASP137A, ASP176B, ASP291B, ASP307B, ASP336B, ASP356B, ASP361A, ASP361B, ASP386B, ASP439B, ASP925A, ASP986A, CYS125B, CYS290B, CYS378A, GLN102B, GLN109A, GLN116B, GLN121B, GLN124B, GLN127B, GLN202B, GLN845A, GLN990A, GLN993A, GLU1079A, GLU1083A, GLU117A, GLU128B, GLU160A, GLU784A, GLU785A, GLU787A, GLU839A, GLU840A, GLU842A, GLU944A, GLU987A, GLU988A, GLY101B, GLY113A, GLY115B, GLY138A, GLY380A, GLY438B, GLY868A, HIS1077A, HIS107B, HIS119B, HIS156B, HIS159B, HIS382B, HIS789A, HIS991A, ILE105B, ILE109B, ILE112A, ILE118B, ILE318B, ILE359A, ILE740A, ILE884A, ILE909A, LEU106B, LEU114B, LEU122B, LEU126B, LEU139A, LEU159A, LEU162A, LEU174B, LEU293B, LEU305B, LEU328A, LEU736A, LEU814A, LEU912A, LEU926A, LYS1081A, LYS111B, LYS182B, LYS339B, LYS359B, LYS723A, LYS844A, MET276A, MET384B, MET835A, MET910A, MET927A, MET954A, PHE1003A, PHE130B, PHE200B, PHE203B, PHE332B, PHE382A, PHE949A, PRO1084A, PRO115A, PRO129B, PRO157B, PRO160B, PRO288B, PRO334B, PRO358A, PRO383B, PRO436B, PRO721A, PRO838A, PRO843A, PRO951A, SER104B, SER112B, SER113B, SER117B, SER248B, SER337B, SER353B, SER354B, SER358B, SER720A, SER737A, SER738A, SER872A, SER883A, SER886A, SER929A, SER955A, THR103B, THR1078A, THR1082A, THR158B, THR161B, THR162B, THR205B, THR335B, THR338B, THR437B, THR833A, THR984A, THR985A, TRP292B, TRP357B, TRP381B, TRP953A, TYR108B, TYR110B, TYR136A, TYR355B, TYR385B, TYR812A, TYR837A, TYR871A, TYR913A, VAL1004A, VAL1033A, VAL247B, VAL360A, VAL786A, VAL836A, VAL870A
• A-E: ALA243E, ALA400A, ALA511A, ALA515A, ALA539A, ARG304E, ARG312E, ARG434A, ARG514A, ARG589A, ASN202E, ASN236E, ASN246E, ASN439A, ASN497A, ASN677A, ASN696A, ASP205E, ASP311E, ASP403A, ASP453A, ASP454A, ASP608A, ASP654A, CYS248E, CYS297E, CYS540A, GLN242E, GLN317E, GLN432A, GLN455A, GLN456A, GLN634A, GLU238E, GLU239E, GLU245E, GLU398A, GLU441A, GLU442A, GLU444A, GLU445A, GLU447A, GLU537A, GLU585A, GLU675A, GLY406A, GLY409A, GLY431A, GLY513A, GLY584A, GLY607A, GLY632A, HIS399A, HIS536A, ILE200E, ILE301E, ILE306E, ILE402A, ILE407A, ILE498A, ILE564A, ILE586A, ILE587A, ILE701A, LEU198E, LEU237E, LEU240E, LEU247E, LEU308E, LEU316E, LEU404A, LEU427A, LEU436A, LEU560A, LEU606A, LEU699A, LYS196E, LYS197E, LYS201E, LYS204E, LYS206E, LYS234E, LYS408A, LYS496A, MET300E, MET302E, MET437A, PHE203E, PHE309E, PHE429A, PHE458A, PRO207E, PRO405A, PRO588A, PRO635A, SER232E, SER249E, SER305E, SER401A, SER428A, SER473A, SER499A, SER590A, SER653A, SER697A, THR313E, THR433A, THR446A, THR457A, THR562A, THR633A, THR636A, THR700A, TRP325E, TRP561A, TYR212E, TYR235E, TYR241E, TYR250E, TYR314E, TYR678A, TYR687A, VAL199E, VAL430A, VAL435A, VAL443A, VAL500A, VAL512A, VAL538A, VAL637A
• C-D: ALA120D, ALA381C, ALA411D, ALA813C, ALA834C, ALA841C, ALA869C, ALA911C, ALA971C, ARG1080C, ARG111C, ARG114C, ARG123D, ARG132D, ARG158C, ARG249D, ARG289D, ARG309D, ARG327C, ARG454D, ARG722C, ARG928C, ARG947C, ASN1005C, ASN1034C, ASN156C, ASN204D, ASN206D, ASN287D, ASN333D, ASN412D, ASN885C, ASN907C, ASN908C, ASN950C, ASN952C, ASN970C, ASP110C, ASP137C, ASP176D, ASP291D, ASP336D, ASP356D, ASP361C, ASP361D, ASP386D, ASP439D, ASP925C, ASP948C, ASP986C, CYS125D, CYS290D, CYS378C, GLN102D, GLN109C, GLN116D, GLN121D, GLN124D, GLN127D, GLN202D, GLN845C, GLN990C, GLN993C, GLU1079C, GLU1083C, GLU117C, GLU128D, GLU160C, GLU784C, GLU785C, GLU787C, GLU839C, GLU840C, GLU842C, GLU944C, GLU969C, GLU987C, GLU988C, GLY101D, GLY113C, GLY115D, GLY119C, GLY138C, GLY357C, GLY380C, GLY438D, GLY846C, GLY868C, HIS1077C, HIS107D, HIS119D, HIS156D, HIS159D, HIS163C, HIS382D, HIS789C, HIS991C, ILE105D, ILE109D, ILE112C, ILE118D, ILE157C, ILE359C, ILE740C, ILE884C, ILE909C, LEU106D, LEU114D, LEU122D, LEU126D, LEU139C, LEU159C, LEU162C, LEU174D, LEU293D, LEU305D, LEU328C, LEU814C, LEU912C, LEU926C, LEU992C, LYS1081C, LYS111D, LYS182D, LYS339D, LYS359D, LYS723C, LYS844C, MET276C, MET384D, MET835C, MET910C, MET927C, MET954C, PHE1003C, PHE130D, PHE140C, PHE200D, PHE203D, PHE332D, PHE382C, PHE949C, PHE972C, PRO1084C, PRO115C, PRO129D, PRO157D, PRO160D, PRO288D, PRO334D, PRO358C, PRO383D, PRO436D, PRO721C, PRO838C, PRO843C, PRO951C, SER104D, SER112D, SER113D, SER116C, SER117D, SER248D, SER337D, SER353D, SER354D, SER358D, SER379C, SER435D, SER720C, SER737C, SER738C, SER886C, SER929C, SER955C, THR1032C, THR103D, THR1078C, THR1082C, THR118C, THR158D, THR161D, THR162D, THR205D, THR335D, THR338D, THR437D, THR833C, THR984C, THR985C, TRP292D, TRP357D, TRP381D, TRP953C, TYR108D, TYR110D, TYR136C, TYR355D, TYR385D, TYR812C, TYR837C, TYR84C, TYR871C, TYR913C, VAL1004C, VAL1006C, VAL1033C, VAL247D, VAL351D, VAL360C, VAL786C, VAL836C, VAL870C
• C-H: ALA243H, ALA400C, ALA474C, ALA501C, ALA511C, ALA515C, ALA539C, ALA756C, ARG298H, ARG304H, ARG312H, ARG434C, ARG514C, ARG589C, ARG713C, ARG753C, ASN202H, ASN236H, ASN246H, ASN318H, ASN439C, ASN497C, ASN677C, ASN696C, ASP205H, ASP311H, ASP326H, ASP377H, ASP403C, ASP433H, ASP453C, ASP454C, ASP608C, ASP654C, CYS248H, CYS297H, CYS540C, GLN242H, GLN317H, GLN379H, GLN382H, GLN432C, GLN434H, GLN437H, GLN455C, GLN456C, GLN634C, GLN759C, GLN852C, GLN859C, GLU238H, GLU239H, GLU245H, GLU398C, GLU441C, GLU442C, GLU444C, GLU445C, GLU447C, GLU537C, GLU585C, GLU675C, GLU800C, GLU863C, GLY406C, GLY409C, GLY431C, GLY513C, GLY584C, GLY607C, GLY632C, GLY856C, HIS399C, HIS536C, HIS797C, HIS803C, ILE200H, ILE227H, ILE233H, ILE301H, ILE306H, ILE402C, ILE407C, ILE498C, ILE564C, ILE586C, ILE587C, ILE701C, LEU198H, LEU237H, LEU240H, LEU247H, LEU308H, LEU316H, LEU321H, LEU372H, LEU404C, LEU427C, LEU432H, LEU436C, LEU560C, LEU606C, LEU699C, LEU761C, LEU770C, LEU858C, LYS196H, LYS197H, LYS201H, LYS204H, LYS206H, LYS219H, LYS234H, LYS408C, LYS438H, LYS496C, LYS769C, LYS857C, LYS897C, MET300H, MET302H, MET320H, MET437C, PHE203H, PHE309H, PHE429C, PHE458C, PHE799C, PRO207H, PRO322H, PRO405C, PRO588C, PRO635C, PRO716C, PRO754C, SER232H, SER249H, SER305H, SER319H, SER323H, SER373H, SER376H, SER401C, SER428C, SER473C, SER499C, SER590C, SER653C, SER697C, SER755C, SER762C, SER763C, SER764C, SER767C, SER768C, SER854C, THR216H, THR313H, THR433C, THR435H, THR436H, THR446C, THR457C, THR472C, THR562C, THR633C, THR636C, THR700C, THR798C, THR860C, TRP325H, TRP411C, TRP561C, TYR212H, TYR235H, TYR241H, TYR250H, TYR314H, TYR381H, TYR678C, TYR687C, TYR718C, TYR828C, VAL199H, VAL244H, VAL315H, VAL430C, VAL435C, VAL443C, VAL500C, VAL512C, VAL538C, VAL637C, VAL765C, VAL801C, VAL861C
• E-F: ALA29F, ALA31F, ALA34F, ALA734E, ARG21F, ARG719E, ARG820E, ASN28F, ASN680E, ASN757E, ASN811E, ASN824E, ASP36F, ASP651E, ASP812E, CYS730E, CYS810E, GLN705E, GLN722E, GLN724E, GLN744E, GLN827E, GLU23F, GLU676E, GLU700E, GLU706E, GLU735E, GLU742E, GLU758E, GLU760E, GLU761E, GLY618E, GLY685E, GLY718E, GLY728E, GLY759E, HIS716E, HIS729E, ILE37F, ILE675E, ILE681E, ILE707E, ILE809E, ILE823E, LEU32F, LEU616E, LEU677E, LEU682E, LEU697E, LEU704E, LEU713E, LEU721E, LEU727E, LEU732E, LEU743E, LEU747E, LEU751E, LEU753E, LEU754E, LEU785E, LEU793E, LYS19F, LYS20F, LYS25F, LYS26F, LYS703E, LYS709E, LYS720E, LYS733E, LYS737E, LYS740E, LYS741E, MET659E, MET684E, MET701E, MET755E, PHE22F, PHE708E, PHE736E, PHE756E, PHE762E, PHE814E, PHE819E, PRO688E, PRO692E, PRO698E, SER655E, SER717E, SER725E, SER746E, THR678E, THR683E, THR689E, THR726E, THR750E, TRP27F, TRP33F, TRP35F, TRP687E, TRP723E, TYR686E, TYR690E, TYR712E, VAL24F, VAL30F, VAL617E, VAL679E, VAL691E, VAL695E, VAL702E, VAL731E, VAL745E, VAL752E, VAL792E
• H-I: ALA29I, ALA31I, ALA34I, ALA734H, ARG21I, ARG719H, ARG820H, ASN28I, ASN680H, ASN757H, ASN811H, ASN824H, ASP36I, ASP651H, ASP812H, CYS730H, CYS810H, GLN705H, GLN722H, GLN724H, GLN744H, GLN827H, GLU23I, GLU676H, GLU700H, GLU706H, GLU735H, GLU742H, GLU758H, GLU760H, GLU761H, GLY618H, GLY685H, GLY718H, GLY728H, GLY759H, HIS716H, HIS729H, ILE37I, ILE675H, ILE681H, ILE707H, ILE809H, ILE823H, LEU32I, LEU616H, LEU654H, LEU677H, LEU682H, LEU697H, LEU704H, LEU713H, LEU721H, LEU727H, LEU732H, LEU743H, LEU747H, LEU751H, LEU753H, LEU754H, LEU785H, LEU793H, LYS19I, LYS20I, LYS25I, LYS26I, LYS703H, LYS709H, LYS720H, LYS733H, LYS737H, LYS740H, LYS741H, MET659H, MET684H, MET701H, MET755H, PHE22I, PHE708H, PHE736H, PHE756H, PHE762H, PHE814H, PHE819H, PRO688H, PRO692H, PRO698H, SER655H, SER717H, SER725H, SER746H, THR678H, THR683H, THR689H, THR726H, THR750H, TRP27I, TRP33I, TRP35I, TRP687H, TRP723H, TYR686H, TYR690H, TYR712H, VAL24I, VAL30I, VAL38I, VAL39I, VAL617H, VAL679H, VAL691H, VAL695H, VAL702H, VAL731H, VAL745H, VAL752H, VAL792H