1PWP

crystal structure of the anthrax lethal factor complexed with small molecule inhibitor nsc 12155

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 161
  • Norm. En. per Res.: -1.3105
• 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	-5.1097	52.694	-258.582	-210.9977	161	8	4	10969	3	77	71

Interface residues

• A-B: ALA493A, ALA493B, ALA76A, ALA76B, ALA96A, ARG157A, ARG157B, ARG263A, ARG263B, ARG267A, ARG267B, ARG290A, ARG346A, ARG491A, ARG491B, ARG498A, ARG498B, ASN164A, ASN164B, ASN209B, ASN211B, ASN460A, ASN460B, ASN496A, ASN496B, ASN516A, ASN516B, ASN758B, ASP158A, ASP158B, ASP261A, ASP261B, ASP459A, ASP459B, ASP487A, ASP487B, ASP495A, ASP495B, GLN208A, GLN208B, GLN262A, GLN262B, GLN276A, GLN276B, GLN279A, GLN279B, GLN537A, GLN537B, GLU123A, GLU123B, GLU126A, GLU126B, GLU204A, GLU204B, GLU207A, GLU207B, GLU258B, GLU269A, GLU269B, GLU272A, GLU272B, GLU287A, GLU301A, GLU301B, GLU490A, GLU497A, GLU497B, GLU515A, GLU515B, GLU539A, GLU539B, GLY124A, GLY124B, GLY517A, GLY78A, GLY78B, GLY79A, GLY79B, ILE159A, ILE159B, ILE163A, ILE163B, ILE274A, ILE298A, ILE298B, ILE300A, ILE77A, ILE77B, LEU206B, LEU259A, LEU259B, LEU265A, LEU265B, LEU285A, LEU431A, LEU431B, LEU494A, LEU494B, LEU514A, LYS101A, LYS101B, LYS122A, LYS162A, LYS162B, LYS260A, LYS260B, LYS270A, LYS270B, LYS273A, LYS273B, LYS275A, LYS275B, LYS294A, LYS294B, LYS340B, LYS462B, LYS500A, LYS500B, LYS518A, LYS518B, LYS536A, LYS536B, LYS540A, LYS540B, LYS754B, LYS757B, LYS75A, LYS75B, MET264A, MET264B, MET73A, MET73B, PRO127A, PRO127B, PRO299A, PRO492A, PRO492B, SER161A, SER161B, SER210A, SER210B, SER266A, SER266B, SER457A, SER457B, SER538A, SER538B, THR458A, THR458B, THR461A, THR461B, TRP271A, TRP271B, TYR125A, TYR125B, TYR268A, TYR268B, TYR542A, TYR542B, TYR74A, TYR74B