3ODA

human parp-1 zinc finger 1 (zn1) bound to dna

• Total interactions analyzed: 120
• Total true interactions: 6
• Strongest Interaction:
  • Chains: D-G
  • Int. Res.: 31
  • Norm. En. per Res.: -2.9207
• Hub Node: D(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
B-D	0.0	2.587	-0.1526	2.4344	6	0	0	46	0	2	1
C-H	0.0	-7.6554	-30.5588	-38.2142	18	1	0	1154	0	14	11
D-G	-10.8749	-44.6211	-35.0455	-90.5415	31	1	0	1687	4	18	18
D-H	-7.6163	11.6632	-64.3026	-60.2557	26	1	0	2717	0	13	19
E-H	0.0	0.0	-0.0337	-0.0337	6	0	0	16	0	0	3
F-G	-11.3988	9.6358	-28.7967	-30.5597	23	2	0	1018	0	8	6

Interface residues

• B-D: ASP45D, GLU26B, MET43D, PHE44D, PRO29B, SER27B
• C-H: ARG65H, ARG78C, ASP80C, ASP81C, GLN82C, GLN83C, GLU70H, GLU76C, HIS66H, ILE64H, LEU77C, LYS7H, PHE74C, SER63H, SER75C, TRP79C, TYR13C, VAL69H
• D-G: ALA14G, ALA89D, ALA91D, ARG65D, ARG78G, ASP31G, ASP68D, ASP80G, ASP81G, GLN82G, GLU76G, GLU90D, GLY92D, GLY93D, HIS66D, ILE64D, LEU33G, LEU77G, LYS30G, LYS84G, LYS86D, LYS87D, PRO29G, PRO67D, SER32G, SER63D, THR88D, TRP58D, TRP79G, TYR13G, VAL69D
• D-H: ARG78D, ARG78H, ASP31D, ASP31H, ASP80D, ASP80H, ASP81D, ASP81H, GLN82D, GLN82H, GLN83D, GLU12H, GLU76D, GLU76H, GLY73H, LEU77D, LEU77H, LYS15H, PHE74D, PHE74H, SER75D, SER75H, TRP79D, TRP79H, TYR13D, TYR13H
• E-H: ASP6E, GLU76E, LYS7E, MET43H, PRO42H, SER75E
• F-G: ALA19G, ARG18G, CYS21F, CYS21G, CYS24F, CYS24G, CYS56F, GLU26F, GLU26G, GLY17G, HIS53F, HIS53G, ILE28G, LYS22G, LYS23F, LYS23G, LYS59F, PRO29G, SER20G, SER25F, SER25G, SER27F, SER27G