2B9S

crystal structure of heterodimeric l. donovani topoisomerase i-vanadate-dna complex

• Total interactions analyzed: 10
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 129
  • Norm. En. per Res.: -4.3612
• Hub Node: A(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
A-B	-81.9909	5.7222	-486.326	-562.5947	129	15	11	17430	3	30	36

Interface residues

• A-B: ALA212B, ALA232B, ALA245B, ALA254B, ALA256A, ALA273A, ALA312A, ALA414A, ALA434A, ALA438A, ALA443A, ALA448A, ARG190A, ARG226B, ARG274A, ARG314A, ARG356A, ARG410A, ARG420A, ASN221B, ASN240B, ASN256B, ASN259B, ASN29A, ASN413A, ASN441A, ASN444A, ASN452A, ASP224B, ASP236B, ASP261B, ASP266A, ASP278A, ASP353A, ASP419A, ASP435A, CYS229B, CYS451A, GLN175A, GLN235B, GLN248B, GLN264A, GLN454A, GLU271A, GLU32A, GLU446A, GLY191A, GLY216B, GLY263A, HIS453A, ILE220B, ILE223B, ILE227B, ILE228B, ILE239B, ILE242B, ILE247B, ILE355A, ILE416A, ILE449A, LEU215B, LEU276A, LEU350A, LEU418A, LEU437A, LEU450A, LYS211B, LYS219B, LYS241B, LYS249B, LYS250B, LYS262A, LYS269A, LYS272A, LYS275A, LYS277A, LYS352A, LYS407A, LYS423A, LYS425A, LYS436A, LYS442A, LYS455A, MET255B, MET267A, PHE243B, PHE251B, PHE260B, PHE262B, PHE270A, PHE409A, PHE422A, PHE440A, PRO225B, PRO238B, PRO252B, PRO257A, PRO426A, SER214B, SER218B, SER230B, SER258A, SER259A, SER260A, SER265A, SER354A, SER415A, SER432A, SER456A, THR217B, THR246B, THR411A, THR417A, THR433A, THR445A, TRP231B, TRP253B, TRP30A, TRP31A, TRP421A, TRP431A, TYR222B, TYR412A, TYR439A, VAL213B, VAL237B, VAL268A, VAL408A, VAL447A