4A0B

structure of hsddb1-drddb2 bound to a 16 bp cpd-duplex ( pyrimidine at d-1 position) at 3.8 a resolution (cpd 4)

• Total interactions analyzed: 28
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 44
  • Norm. En. per Res.: -3.4245
• 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	-52.0483	-90.7132	-466.741	-609.5026	217	30	10	20999	7	56	57
A-D	-16.7821	-29.6303	-104.266	-150.6785	44	5	0	3779	3	42	46
B-C	-7.4809	35.2788	-47.8608	-20.0629	42	2	0	2335	1	37	40
B-D	0.0	4.7756	-21.1608	-16.3852	22	0	0	1094	0	6	8
C-D	-47.0332	-45.6613	-468.452	-561.1465	223	19	10	22196	5	67	58

Interface residues

• A-B: ALA120B, ALA381A, ALA411B, ALA813A, ALA834A, ALA841A, ALA869A, ALA911A, ALA946A, ALA971A, ARG1080A, ARG111A, ARG114A, ARG123B, ARG132B, ARG158A, ARG249B, ARG289B, ARG309B, ARG327A, ARG454B, ARG722A, ARG928A, ARG947A, ASN1005A, ASN1034A, ASN156A, ASN201B, ASN204B, ASN206B, ASN287B, ASN333B, ASN412B, ASN810A, ASN885A, ASN907A, ASN908A, ASN950A, ASN952A, ASN970A, ASP110A, ASP137A, ASP291B, ASP307B, ASP336B, ASP356B, ASP361A, ASP361B, ASP386B, ASP439B, ASP925A, CYS125B, CYS290B, CYS378A, GLN102B, GLN109A, GLN116B, GLN121B, GLN124B, GLN127B, GLN202B, GLN207B, GLN845A, GLN990A, GLN993A, GLU1079A, GLU1083A, GLU117A, GLU128B, GLU160A, GLU312A, GLU785A, GLU787A, GLU811A, GLU839A, GLU840A, GLU842A, GLU944A, GLU969A, GLU987A, GLU988A, GLY113A, GLY115B, GLY119A, GLY138A, GLY357A, GLY380A, GLY385A, GLY438B, GLY868A, HIS1077A, HIS107B, HIS119B, HIS156B, HIS159B, HIS163A, HIS382B, HIS789A, HIS991A, ILE105B, ILE109B, ILE112A, ILE118B, ILE310A, ILE318B, ILE359A, ILE740A, ILE909A, LEU106B, LEU114B, LEU122B, LEU126B, LEU139A, LEU159A, LEU162A, LEU174B, LEU293B, LEU305B, LEU328A, LEU340B, LEU814A, LEU912A, LEU926A, LEU992A, LYS1081A, LYS111B, LYS339B, LYS359B, LYS60A, LYS723A, LYS844A, MET276A, MET384B, MET835A, MET910A, MET927A, MET954A, PHE1003A, PHE130B, PHE140A, PHE200B, PHE203B, PHE332B, PHE382A, PHE949A, PHE972A, PRO1084A, PRO115A, PRO129B, PRO157B, PRO160B, PRO288B, PRO334B, PRO358A, PRO360B, PRO383B, PRO436B, PRO721A, PRO838A, PRO843A, PRO951A, SER104B, SER112B, SER113B, SER116A, SER117B, SER248B, SER337B, SER353B, SER354B, SER358B, SER379A, SER435B, SER720A, SER737A, SER738A, SER929A, SER955A, THR1032A, THR103B, THR1078A, THR1082A, THR118A, THR158B, THR161B, THR162B, THR205B, THR257A, THR335B, THR338B, THR437B, THR833A, TRP292B, TRP357B, TRP381B, TRP953A, TYR108B, TYR110B, TYR136A, TYR352B, TYR355B, TYR385B, TYR812A, TYR837A, TYR84A, TYR871A, TYR913A, VAL1004A, VAL1006A, VAL1033A, VAL247B, VAL259A, VAL351B, VAL360A, VAL786A, VAL836A, VAL870A
• A-D: ALA231D, ALA279D, ARG103A, ARG147A, ARG198A, ARG260D, ASN149A, ASP146A, ASP148A, ASP234D, ASP237D, ASP256D, ASP313D, GLU151A, GLU270D, GLU274D, GLU72A, GLY259D, GLY71A, HIS105A, LEU152A, LEU261D, LEU262D, LEU276D, LYS1067A, LYS150A, LYS153A, LYS200A, LYS232D, LYS273D, LYS275D, LYS278D, LYS314D, PHE155A, PHE272D, PRO144A, SER235D, SER257D, THR233D, THR258D, TRP236D, TRP239D, TYR238D, TYR240D
• B-C: ALA231B, ARG129C, ARG147C, ARG198C, ARG260B, ASN149C, ASP146C, ASP148C, ASP234B, ASP237B, ASP256B, GLU151C, GLU199C, GLU270B, GLU274B, GLY268B, HIS269B, ILE271B, LEU145C, LEU197C, LEU262B, LEU263B, LEU264B, LYS150C, LYS153C, LYS200C, LYS232B, LYS273B, LYS275B, PHE155C, PHE230B, PHE272B, PRO144C, SER196C, SER235B, SER257B, THR233B, THR258B, TRP236B, TRP239B, TYR238B, VAL229B
• B-D: ALA319D, ARG249B, ARG309B, ASN310B, ASN310D, ASN315D, ASP307B, ASP313D, GLU320D, ILE311B, ILE311D, ILE318B, ILE318D, LEU308B, LYS312B, LYS312D, LYS314D, SER316D, TRP292B, TRP306D, TYR317B, TYR317D
• C-D: ALA120D, ALA381C, ALA411D, ALA813C, ALA834C, ALA841C, ALA869C, ALA946C, ALA971C, ARG1080C, ARG111C, ARG114C, ARG123D, ARG132D, ARG158C, ARG249D, ARG289D, ARG309D, ARG327C, ARG454D, ARG722C, ARG928C, ARG947C, ARG989C, ASN1005C, ASN1034C, ASN156C, ASN201D, ASN204D, ASN206D, ASN287D, ASN333D, ASN412D, ASN810C, ASN885C, ASN907C, ASN908C, ASN950C, ASN952C, ASN970C, ASP110C, ASP137C, ASP291D, ASP307D, ASP336D, ASP356D, ASP361C, ASP361D, ASP386D, ASP439D, ASP925C, ASP948C, ASP980C, ASP986C, CYS125D, CYS290D, GLN102D, GLN109C, GLN116D, GLN121D, GLN124D, GLN127D, GLN202D, GLN207D, GLN845C, GLN990C, GLN993C, GLU1079C, GLU1083C, GLU117C, GLU128D, GLU160C, GLU312C, GLU719C, GLU784C, GLU785C, GLU787C, GLU811C, GLU839C, GLU840C, GLU842C, GLU944C, GLU969C, GLU987C, GLU988C, GLY101D, GLY113C, GLY115D, GLY138C, GLY357C, GLY380C, GLY438D, GLY868C, HIS1077C, HIS107D, HIS119D, HIS156D, HIS159D, HIS163C, HIS382D, HIS789C, HIS905C, HIS991C, ILE105D, ILE109D, ILE112C, ILE118D, ILE310C, ILE318D, ILE359C, ILE740C, ILE909C, LEU106D, LEU114D, LEU122D, LEU126D, LEU139C, LEU159C, LEU162C, LEU174D, LEU293D, LEU305D, LEU328C, LEU340D, LEU814C, LEU912C, LEU926C, LEU931C, LEU992C, LYS1081C, LYS111D, LYS182D, LYS339D, LYS359D, LYS60C, LYS844C, MET276C, MET294D, MET384D, MET835C, MET910C, MET927C, MET954C, PHE1003C, PHE130D, PHE140C, PHE200D, PHE203D, PHE222D, 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, 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, TYR352D, TYR355D, TYR385D, TYR812C, TYR837C, TYR84C, TYR871C, TYR913C, VAL1004C, VAL1033C, VAL247D, VAL259C, VAL351D, VAL360C, VAL786C, VAL836C, VAL870C