1RFI

crystal structure of human tyrosyl-dna phosphodiesterase complexed with vanadate, pentapeptide klnyk, and tetranucleotide agtc

• Total interactions analyzed: 15
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 58
  • Norm. En. per Res.: -2.616
• 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	-8.5319	-9.5409	-116.418	-134.4908	78	2	0	4923	1	26	29
A-C	-33.9126	-3.2144	-114.6	-151.727	58	9	1	4481	0	9	13
B-E	-11.7516	0.0	-72.7182	-84.4698	40	1	1	2619	0	0	0

Interface residues

• A-B: ALA321A, ALA321B, ALA547A, ALA547B, ALA568A, ASN162A, ASN162B, ASN351A, ASN351B, ASP346A, ASP346B, ASP381A, ASP381B, GLU314A, GLU314B, GLU349A, GLU349B, GLY308B, GLY313A, GLY313B, GLY549A, GLY549B, HIS310A, HIS310B, HIS318A, HIS318B, HIS343A, HIS343B, HIS382A, HIS382B, ILE305A, ILE305B, LEU544A, LEU544B, LEU548A, LEU548B, LEU550A, LEU550B, LYS311A, LYS311B, LYS320A, LYS320B, LYS377A, LYS377B, LYS380A, LYS380B, PHE164A, PHE164B, PHE319A, PHE319B, PHE553A, PHE553B, PRO163A, PRO163B, PRO300A, PRO316A, PRO316B, PRO545A, PRO545B, SER312A, SER312B, SER315A, SER315B, SER348A, SER348B, SER365A, SER365B, SER546A, SER546B, THR309A, THR309B, THR317A, THR317B, THR350A, THR569A, THR569B, TYR353A, TYR353B
• A-C: ALA234A, ALA287A, ALA456A, ASN203A, ASN283A, ASN516A, ASN722C, ASP207A, ASP209A, ASP230A, ASP288A, CYS205A, GLN241A, GLN294A, GLU233A, GLU452A, GLY229A, GLY457A, GLY458A, HIS228A, HIS237A, HIS239A, HIS262A, HIS263A, HIS286A, HIS493A, ILE285A, LEU238A, LEU284A, LEU460A, LEU721C, LYS231A, LYS235A, LYS265A, LYS292A, LYS495A, LYS720C, LYS724C, PHE206A, PRO455A, PRO461A, PRO607A, SER282A, SER399A, SER400A, SER459A, SER608A, THR261A, THR281A, TRP210A, TRP588A, TRP590A, TRP605A, TYR204A, TYR454A, TYR462A, TYR723C, VAL208A
• B-E: ALA234B, ALA287B, ALA456B, ASN203B, ASN283B, ASN516B, ASN722E, ASP207B, ASP209B, ASP230B, ASP288B, CYS205B, GLN241B, GLY457B, GLY458B, HIS237B, HIS263B, HIS286B, HIS493B, ILE285B, LEU238B, LEU284B, LEU460B, LEU721E, LYS265B, LYS292B, LYS495B, PHE206B, PRO461B, SER282B, SER399B, SER400B, SER459B, THR281B, TRP210B, TRP590B, TYR204B, TYR462B, TYR723E, VAL208B