3A7A

crystal structure of e. coli lipoate-protein ligase a in complex with octyl-amp and apoh-protein

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 86
  • Norm. En. per Res.: -4.1927
• Hub Node: A(3)

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	-79.2286	-103.1654	-178.179	-360.573	86	22	5	7155	9	52	35
A-C	-27.6453	-11.6486	-140.58	-179.8738	71	6	4	5336	10	36	32
A-D	0.0	-1.2085	-0.2138	-1.4222	5	0	0	35	0	3	2
B-C	0.0	0.0	-0.1388	-0.1388	6	0	0	26	0	3	2
C-D	-51.3822	-75.3739	-157.713	-284.4691	85	15	5	7299	5	48	38

Interface residues

• A-B: ALA138A, ALA174A, ALA248A, ALA250A, ALA48A, ALA58B, ALA60B, ALA65B, ALA66B, ARG120A, ARG140A, ARG145A, ARG25A, ARG47A, ARG69A, ARG70A, ASN121A, ASP127B, ASP144A, ASP38B, ASP43B, ASP56B, ASP68B, ASP82B, ASP86B, ASP96A, GLN247A, GLN49A, GLU128B, GLU12B, GLU141A, GLU14B, GLU21A, GLU271A, GLU46B, GLU61B, GLY146A, GLY176A, GLY37B, GLY46A, GLY54B, GLY73A, GLY74A, GLY75A, HIS13B, ILE177A, ILE69B, LEU124B, LEU35B, LEU36B, LEU44B, LEU84B, LYS11B, LYS143A, LYS175A, LYS272A, LYS64B, LYS92A, LYS97A, MET39B, PHE147A, PHE24A, PHE41B, PRO249A, PRO45B, PRO88B, PRO93A, SER10B, SER62B, SER67B, SER71A, SER72A, SER85B, SER87B, THR142A, THR178A, THR98A, TRP243A, TYR139A, TYR70B, TYR95A, VAL40B, VAL42B, VAL47B, VAL59B, VAL63B
• A-C: ALA173A, ALA173C, ALA174A, ALA174C, ALA250A, ALA250C, ALA278A, ALA278C, ALA294A, ALA294C, ARG277A, ARG277C, ASP256A, ASP256C, ASP269A, ASP269C, ASP283A, ASP283C, GLN279A, GLN279C, GLN298C, GLU265A, GLU265C, GLU271A, GLU271C, GLU291A, GLU291C, GLY263A, GLY295A, GLY295C, HIS253A, HIS253C, HIS267A, HIS267C, LEU172A, LEU172C, LEU254A, LEU254C, LEU255A, LEU255C, LEU266A, LEU266C, LEU285C, LYS169A, LYS169C, LYS170A, LYS170C, LYS171A, LYS171C, LYS175A, LYS175C, LYS53A, LYS53C, PHE251A, PHE251C, PHE268A, PHE268C, PHE281A, PHE281C, SER252A, SER252C, SER284C, THR276A, THR276C, THR282A, THR282C, VAL264C, VAL270A, VAL270C, VAL280A, VAL280C
• A-D: ALA83D, ARG277A, ASP86D, GLN298A, GLY295A
• B-C: ALA83B, ARG277C, ASP86B, GLN298C, GLY295C, SER87B
• C-D: ALA138C, ALA248C, ALA250C, ALA32D, ALA48C, ALA58D, ALA60D, ALA65D, ALA66D, ALA83D, ARG120C, ARG140C, ARG145C, ARG237C, ARG25C, ARG47C, ARG69C, ARG70C, ASN121C, ASP144C, ASP38D, ASP43D, ASP55D, ASP56D, ASP68D, ASP82D, ASP86D, ASP96C, GLN247C, GLN49C, GLU128D, GLU12D, GLU141C, GLU14D, GLU46D, GLU61D, GLY146C, GLY176C, GLY37D, GLY46C, GLY54D, GLY73C, GLY74C, GLY75C, HIS13D, HIS148C, HIS149C, ILE177C, ILE69D, LEU35D, LEU36D, LEU44D, LEU84D, LYS11D, LYS143C, LYS175C, LYS272C, LYS64D, LYS92C, LYS97C, MET39D, PHE147C, PHE24C, PHE41D, PRO249C, PRO88D, PRO93C, SER62D, SER67D, SER71C, SER72C, SER85D, SER87D, THR142C, THR178C, THR98C, TRP243C, TYR139C, TYR70D, TYR95C, VAL40D, VAL42D, VAL47D, VAL59D, VAL63D