3K75

x-ray crystal structure of reduced xrcc1 bound to dna pol beta catalytic domain

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 70
  • Norm. En. per Res.: -2.9208
• Hub Node: C(1)

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
B-D	-34.6944	-19.5283	-150.234	-204.4566	70	12	4	6702	3	9	10
C-E	-33.2676	-22.8488	-132.206	-188.3225	70	12	4	6346	4	10	8
D-E	-15.6946	-21.7315	-128.581	-166.0071	81	3	0	6076	3	67	61

Interface residues

• B-D: ALA307D, ALA66B, ARG100B, ARG109B, ARG299D, ASP318D, ASP321D, ASP83B, GLN134B, GLN317D, GLN324D, GLN82B, GLU288D, GLU309D, GLU69B, GLU81B, GLU85B, GLY290D, GLY302D, GLY305D, GLY308D, ILE130B, ILE298D, ILE319D, ILE323D, LEU301D, LEU311D, LEU71B, LEU87B, LEU88B, LYS115B, LYS129B, LYS138B, LYS289D, LYS41B, MET94B, PHE111B, PHE291D, PHE320D, PHE67B, PHE93B, PRO135B, PRO300D, PRO310D, PRO312D, PRO96B, SER133B, SER137B, SER44B, SER91B, SER92B, SER95B, SER97B, SER99B, THR304D, THR42B, THR90B, TRP325D, TYR136B, TYR322D, TYR84B, VAL117B, VAL131B, VAL303D, VAL306D, VAL68B, VAL70B, VAL72B, VAL86B, VAL89B
• C-E: ALA307E, ALA66C, ARG100C, ARG107C, ARG109C, ARG299E, ASP318E, ASP321E, ASP83C, GLN134C, GLN317E, GLN324E, GLN82C, GLU288E, GLU309E, GLU69C, GLU81C, GLU85C, GLY290E, GLY302E, GLY305E, GLY308E, ILE130C, ILE298E, ILE319E, ILE323E, LEU301E, LEU311E, LEU71C, LEU87C, LEU88C, LYS115C, LYS129C, LYS289E, LYS41C, MET94C, PHE111C, PHE291E, PHE320E, PHE67C, PHE93C, PRO135C, PRO300E, PRO310E, PRO312E, PRO96C, SER133C, SER137C, SER44C, SER91C, SER92C, SER95C, SER97C, SER99C, THR304E, THR42C, THR90C, TRP325E, TYR136C, TYR322E, TYR84C, VAL117C, VAL131C, VAL303E, VAL306E, VAL68C, VAL70C, VAL72C, VAL86C, VAL89C
• D-E: ALA110D, ALA110E, ARG137D, ARG137E, ASN128D, ASN128E, ASN133D, ASN133E, ASP116D, ASP116E, ASP130D, ASP130E, ASP91D, ASP92D, GLN136D, GLN136E, GLU117D, GLU117E, GLU129D, GLU129E, GLU232D, GLU232E, GLY105D, GLY105E, GLY107D, GLY107E, GLY118D, GLY118E, GLY231D, GLY231E, HIS134D, HIS134E, HIS135D, HIS135E, HIS212D, HIS212E, ILE106D, ILE106E, ILE119D, ILE119E, ILE138D, ILE138E, LEU114D, LEU114E, LEU132D, LEU132E, LEU228D, LEU228E, LYS113D, LYS113E, LYS120D, LYS120E, LYS131D, LYS131E, LYS206D, LYS206E, LYS230D, LYS230E, LYS234D, LYS234E, MET236D, MET236E, PHE235D, PHE235E, PRO108D, PRO108E, PRO208D, PRO208E, SER109D, SER109E, SER229D, SER229E, THR104E, THR227D, THR227E, THR233D, THR233E, THR93D, THR93E, VAL115D, VAL115E