2C8M

structure of protein ta0514, putative lipoate protein ligase from t. acidophilum with bound lipoic acid

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 58
  • Norm. En. per Res.: -2.2261
• 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	-25.3223	-25.5582	-78.2308	-129.1113	58	7	1	3416	2	39	36
A-C	-30.5536	-20.1811	-111.639	-162.3738	76	10	2	4811	1	29	30
C-D	-10.5765	-22.0477	-119.86	-152.4842	74	10	0	4643	2	30	36

Interface residues

• A-B: ARG211A, ARG211B, ARG240B, ARG37B, ARG40A, ARG40B, ARG43A, ARG43B, ASN13A, ASN13B, ASN65A, ASP169A, ASP208A, ASP208B, ASP229B, ASP42A, ASP42B, ASP60A, ASP82A, GLU228B, GLU233B, GLU236B, GLU9A, GLU9B, GLY12A, GLY12B, GLY66A, GLY66B, GLY84A, HIS167A, HIS167B, HIS41A, HIS41B, ILE207A, ILE231B, ILE67A, LEU7B, LEU83A, LEU83B, LEU8B, LYS63A, LYS64A, MET16B, MET172A, MET68A, MET68B, PHE243B, PRO11A, PRO11B, SER17B, THR10A, THR10B, THR14B, THR168A, THR230B, THR232B, TYR20B, TYR61A
• A-C: ALA121A, ALA141A, ALA150C, ALA152C, ALA197A, ALA53C, ARG104A, ARG115A, ARG122A, ARG154C, ARG195A, ARG26C, ARG71C, ARG72C, ASN127A, ASN127C, ASN134A, ASN198A, ASN253C, ASP120A, ASP128A, ASP128C, ASP138A, ASP201A, GLN51C, GLU108A, GLU125A, GLU143A, GLU194A, GLU22C, GLU251C, GLU54C, GLU55C, GLU56C, GLY124A, GLY142A, GLY151C, GLY255C, GLY48C, GLY75C, GLY76C, GLY77C, ILE131A, ILE131C, ILE139A, ILE47C, ILE99C, LEU119A, LEU126A, LEU159C, LEU256C, LEU257C, LYS135A, LYS136A, LYS144A, LYS145A, LYS155C, LYS246C, MET140A, MET153C, MET254C, MET97C, PHE202A, PHE50C, PRO123A, SER130C, THR200A, THR74C, TRP252C, TYR247C, TYR25C, TYR49C, TYR73C, VAL129C, VAL133A, VAL52C
• C-D: ALA121C, ALA141C, ALA150D, ALA152D, ALA53D, ARG104C, ARG115C, ARG122C, ARG154D, ARG195C, ARG26D, ARG71D, ARG72D, ASN127C, ASN127D, ASN134C, ASN253D, ASP120C, ASP128D, ASP138C, ASP96D, ASP98D, GLN51D, GLU108C, GLU125C, GLU143C, GLU194C, GLU22D, GLU251D, GLU54D, GLU55D, GLU56D, GLY124C, GLY142C, GLY151D, GLY255D, GLY48D, GLY75D, GLY76D, ILE139C, ILE47D, ILE99D, LEU119C, LEU126C, LEU159D, LEU242D, LYS135C, LYS136C, LYS144C, LYS145C, LYS155D, LYS246D, MET140C, MET153D, MET254D, MET97D, PHE103D, PHE202C, PHE50D, PRO123C, SER101C, SER130D, THR100C, THR100D, THR74D, TRP252D, TYR247D, TYR25D, TYR49D, TYR73D, VAL111C, VAL129D, VAL133C, VAL52D