4A03

crystal structure of mycobacterium tuberculosis dxr in complex with the antibiotic fr900098 and cofactor nadph

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 153
  • Norm. En. per Res.: -6.0447
• 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	-234.9721	-123.7063	-566.159	-924.8374	153	27	13	20286	7	46	22

Interface residues

• A-B: ALA156A, ALA156B, ALA158A, ALA158B, ALA170A, ALA170B, ALA260A, ALA260B, ALA262A, ALA262B, ALA284A, ALA284B, ALA285A, ALA285B, ALA286A, ALA286B, ALA287A, ALA287B, ALA293A, ALA293B, ARG162A, ARG162B, ARG279A, ARG279B, ARG280A, ARG280B, ARG313A, ARG313B, ARG38A, ARG38B, ASP167A, ASP167B, ASP238A, ASP238B, ASP255A, ASP255B, ASP266A, ASP266B, ASP289A, ASP289B, CYS160A, CYS160B, CYS288A, CYS288B, GLN159A, GLN159B, GLN244A, GLN244B, GLN261A, GLN261B, GLU168A, GLU168B, GLU297A, GLU297B, GLU299A, GLU299B, GLY163A, GLY163B, GLY164A, GLY164B, GLY256A, GLY256B, GLY283A, GLY283B, HIS242A, HIS242B, HIS248A, HIS248B, HIS291A, HIS291B, ILE237A, ILE246A, ILE246B, ILE247A, ILE247B, ILE254A, ILE254B, ILE259A, ILE259B, LEU161A, LEU161B, LEU174A, LEU269A, LEU269B, LEU273A, LEU273B, LEU301A, LEU301B, LYS171A, LYS171B, LYS268A, LYS268B, MET250A, MET250B, PHE253A, PHE253B, PHE290A, PHE290B, PHE298A, PHE298B, PRO243A, PRO243B, PRO264A, PRO264B, PRO270A, PRO270B, PRO278A, PRO278B, PRO300A, PRO300B, SER155A, SER155B, SER249A, SER249B, SER257A, SER257B, SER263A, SER263B, SER272A, SER272B, SER282A, SER282B, SER294A, SER294B, SER295A, SER295B, THR165A, THR165B, THR175A, THR175B, THR252A, THR252B, THR258A, THR258B, THR292A, THR292B, THR303A, TRP296A, TRP296B, VAL169A, VAL169B, VAL173A, VAL173B, VAL239A, VAL239B, VAL240A, VAL240B, VAL241A, VAL241B, VAL251A, VAL251B, VAL281A, VAL281B