3NE1

mycobacterium tuberculosis acyl carrier protein synthase adopts two different structural conformations: ph driven conformational changes of acps enzyme

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 85
  • Norm. En. per Res.: -2.1311
• Hub Node: A(2)

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	-3.698	13.2128	-142.135	-132.6202	79	8	8	6380	0	19	21
A-C	-27.2725	31.2866	-185.161	-181.1469	85	15	9	7581	0	16	20
B-C	-21.4925	45.6016	-160.868	-136.7589	83	12	9	7045	0	18	22

Interface residues

• A-B: ALA121A, ALA121B, ALA122A, ALA122B, ALA123A, ALA123B, ALA125A, ALA125B, ALA129A, ALA129B, ALA55B, ALA59A, ALA59B, ALA63B, ALA70B, ARG68B, ARG72B, ARG92A, ARG94A, ASP119A, ASP119B, ASP15B, ASP88A, ASP9A, ASP9B, GLN71B, GLU117A, GLU117B, GLU128A, GLU128B, GLU58B, GLY118A, GLY2A, GLY2B, GLY5A, GLY5B, GLY66B, GLY7A, GLY7B, GLY91A, HIS111A, HIS116A, ILE110A, ILE126A, ILE126B, ILE13B, ILE3A, ILE3B, ILE8A, ILE8B, LEU10A, LEU10B, LEU114A, LEU127A, LEU127B, LYS62B, PHE16B, PHE69B, PRO14B, PRO93A, SER113A, SER12B, SER65B, SER67B, THR109A, THR115A, THR120A, THR120B, TRP64B, TRP90A, VAL112A, VAL11A, VAL11B, VAL124A, VAL124B, VAL4B, VAL6A, VAL6B, VAL74B
• A-C: ALA121A, ALA121C, ALA122A, ALA122C, ALA123A, ALA123C, ALA125A, ALA125C, ALA129A, ALA129C, ALA55A, ALA55C, ALA59A, ALA59C, ALA63A, ALA70A, ARG68A, ARG72A, ARG92C, ARG94C, ASP119A, ASP119C, ASP15A, ASP88C, ASP9A, ASP9C, GLN71A, GLU117A, GLU117C, GLU128A, GLU128C, GLU58A, GLY118C, GLY2A, GLY2C, GLY5A, GLY66A, GLY7A, GLY7C, GLY91C, HIS111C, HIS116C, ILE110C, ILE126A, ILE126C, ILE13A, ILE3A, ILE3C, ILE61A, ILE8A, ILE8C, LEU10A, LEU10C, LEU114C, LEU127A, LEU127C, LEU75A, LYS62A, MET89C, PHE16A, PHE69A, PRO130C, PRO14A, PRO73A, PRO93C, SER113C, SER12A, SER65A, SER67A, THR109C, THR115C, THR120A, THR120C, TRP64A, TRP90C, VAL112C, VAL11A, VAL11C, VAL124A, VAL124C, VAL4A, VAL6A, VAL6C, VAL74A, VAL95C
• B-C: ALA121B, ALA121C, ALA122B, ALA122C, ALA123B, ALA123C, ALA125B, ALA125C, ALA129B, ALA129C, ALA55B, ALA55C, ALA56B, ALA59C, ALA63C, ALA70C, ARG68C, ARG72C, ARG92B, ARG94B, ASP119B, ASP119C, ASP15C, ASP88B, ASP9B, ASP9C, GLN71C, GLU117B, GLU117C, GLU128B, GLU128C, GLU58C, GLY118B, GLY2B, GLY2C, GLY5C, GLY66C, GLY7B, GLY7C, GLY91B, HIS111B, HIS116B, ILE110B, ILE126B, ILE126C, ILE13C, ILE3B, ILE3C, ILE8B, ILE8C, LEU10B, LEU10C, LEU114B, LEU127B, LEU127C, LEU75C, LYS62C, MET89B, PHE16C, PHE69C, PRO130B, PRO14C, PRO73C, PRO93B, SER113B, SER12C, SER65C, SER67C, THR109B, THR115B, THR120B, THR120C, TRP64C, TRP90B, VAL112B, VAL11B, VAL11C, VAL124B, VAL124C, VAL4C, VAL6B, VAL6C, VAL74C