1W6F

arylamine n-acetyltransferase from mycobacterium smegmatis with the anti-tubercular drug isoniazid bound in the active site.

• Total interactions analyzed: 6
• Total true interactions: 2
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 46
  • Norm. En. per Res.: -5.7159
• 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	-98.8328	-26.9694	-137.127	-262.9292	46	11	4	4539	3	24	34
C-D	-60.1498	-32.2888	-97.4514	-189.8899	40	7	4	3732	4	23	32

Interface residues

• A-B: ALA227A, ALA227B, ALA233A, ALA233B, ALA243A, ALA243B, ALA248A, ALA248B, ARG170A, ARG170B, ARG224A, ARG224B, ARG230A, ARG230B, ARG238A, ARG238B, ARG252A, ARG252B, ASN225A, ASN225B, ASP240A, ASP240B, GLN244A, GLN244B, GLU235A, GLU235B, GLY232A, GLY232B, HIS236A, HIS236B, ILE237A, ILE237B, LEU226A, LEU226B, PHE239A, PHE239B, SER231A, SER231B, SER241A, SER241B, THR234A, THR234B, VAL228A, VAL228B, VAL245A, VAL245B
• C-D: ALA227C, ALA227D, ALA233C, ALA233D, ALA243D, ARG170C, ARG170D, ARG224D, ARG230C, ARG230D, ARG238C, ARG238D, ARG252C, ARG252D, ASN225D, ASP240C, ASP240D, GLN244C, GLN244D, GLU235C, GLU235D, GLY232C, GLY232D, HIS236C, HIS236D, ILE237C, ILE237D, LEU226C, LEU226D, PHE239C, PHE239D, SER231C, SER231D, SER241C, SER241D, THR234C, THR234D, VAL228C, VAL228D, VAL245D