3HYK

2.31 angstrom resolution crystal structure of a holo-(acyl-carrier- protein) synthase from bacillus anthracis str. ames in complex with coa (3',5'-adp)

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 80
  • Norm. En. per Res.: -3.4092
• 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	-24.8064	-41.2087	-172.51	-238.5251	75	5	6	7339	4	21	21
A-C	-52.0885	-54.2664	-166.378	-272.7329	80	11	7	8218	4	21	21
B-C	-23.8153	-41.3903	-188.026	-253.2316	76	7	6	7921	3	21	21

Interface residues

• A-B: ALA0B, ALA108A, ALA108B, ALA110A, ALA110B, ALA59B, ALA63B, ARG14B, ARG84A, ASP82A, ASP83A, ASP8A, ASP8B, GLN111A, GLN111B, GLU106A, GLU106B, GLU115A, GLU115B, GLU11B, GLU58B, GLU71B, GLY4B, GLY65B, GLY67B, GLY69B, GLY6A, GLY6B, GLY85A, HIS103A, HIS98A, ILE101A, ILE10A, ILE10B, ILE2A, ILE2B, ILE5A, ILE5B, ILE68B, ILE7A, ILE7B, ILE96A, ILE9A, ILE9B, LEU114A, LEU114B, LEU12A, LEU12B, LEU99A, LYS105A, LYS62B, LYS70B, LYS86A, PHE107A, PHE107B, PRO87A, SER100A, SER102A, SER104A, SER116A, SER116B, SER117A, SER118A, SER61B, THR66B, VAL109A, VAL109B, VAL112A, VAL112B, VAL113A, VAL113B, VAL3B, VAL64B, VAL72B, VAL97A
• A-C: ALA0A, ALA108A, ALA108C, ALA110A, ALA110C, ALA59A, ALA63A, ARG14A, ARG84C, ASN-1A, ASN13A, ASP82C, ASP83C, ASP8A, ASP8C, GLN111A, GLN111C, GLU106A, GLU106C, GLU115A, GLU115C, GLU11A, GLU58A, GLU71A, GLY4A, GLY65A, GLY67A, GLY69A, GLY6A, GLY6C, GLY85C, HIS103C, HIS98C, ILE101C, ILE10A, ILE10C, ILE2A, ILE2C, ILE5A, ILE5C, ILE68A, ILE7A, ILE7C, ILE88C, ILE96C, ILE9A, ILE9C, LEU114A, LEU114C, LEU12A, LEU12C, LEU99C, LYS105C, LYS17A, LYS62A, LYS70A, LYS86C, PHE107A, PHE107C, PRO87C, SER100C, SER102C, SER104C, SER116A, SER116C, SER117C, SER118C, SER61A, THR66A, VAL109A, VAL109C, VAL112A, VAL112C, VAL113A, VAL113C, VAL3A, VAL3C, VAL64A, VAL72A, VAL97C
• B-C: ALA0C, ALA108B, ALA108C, ALA110B, ALA110C, ALA55C, ALA59B, ALA59C, ALA63C, ARG14C, ARG84B, ASP82B, ASP83B, ASP8B, ASP8C, GLN111B, GLN111C, GLU106B, GLU106C, GLU115B, GLU115C, GLU11C, GLU58C, GLU71C, GLY4C, GLY65C, GLY67C, GLY69C, GLY6B, GLY6C, GLY85B, HIS103B, HIS98B, ILE101B, ILE10B, ILE10C, ILE2B, ILE2C, ILE5B, ILE5C, ILE68C, ILE7B, ILE7C, ILE96B, ILE9B, ILE9C, LEU114B, LEU114C, LEU12B, LEU12C, LEU99B, LYS105B, LYS62C, LYS70C, LYS86B, PHE107B, PHE107C, PRO87B, SER100B, SER102B, SER104B, SER116B, SER116C, SER117B, SER61C, THR66C, VAL109B, VAL109C, VAL112B, VAL112C, VAL113B, VAL113C, VAL3C, VAL64C, VAL72C, VAL97B