3RUX

crystal structure of biotin-protein ligase bira from mycobacterium tuberculosis in complex with an acylsulfamide bisubstrate inhibitor

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 79
  • Norm. En. per Res.: -3.1778
• 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	-73.7294	24.6189	-201.932	-251.0425	79	11	9	8420	0	20	17

Interface residues

• A-B: ALA259A, ALA259B, ARG222A, ARG222B, ARG224A, ARG224B, ARG245A, ARG245B, ARG253A, ARG253B, ARG69A, ARG69B, ARG72B, ASN130B, ASP232A, ASP232B, ASP241A, ASP241B, ASP242A, ASP242B, ASP249A, ASP249B, ASP261B, CYS247A, CYS247B, GLN231A, GLN231B, GLN243A, GLN243B, GLU226B, GLY229A, GLY229B, GLY230A, GLY230B, GLY235A, GLY235B, GLY251A, GLY251B, GLY252A, GLY252B, GLY260A, GLY260B, GLY71B, GLY99A, HIS70A, HIS70B, ILE236B, LEU227A, LEU227B, LEU246A, LEU246B, LEU248A, LEU248B, PRO129A, PRO129B, PRO228A, PRO228B, SER258A, SER258B, THR254A, THR254B, TRP128A, TRP128B, VAL146A, VAL223B, VAL225A, VAL225B, VAL233A, VAL233B, VAL234A, VAL234B, VAL250A, VAL250B, VAL255A, VAL255B, VAL256A, VAL256B, VAL257A, VAL257B