3R23

crystal structure of d-alanine--d-alanine ligase from bacillus anthracis

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 123
  • Norm. En. per Res.: -2.1833
• 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	-32.6146	-46.3842	-189.552	-268.5508	123	7	5	9894	7	51	63

Interface residues

• A-B: ALA238A, ALA238B, ARG103A, ARG103B, ASN138A, ASN138B, ASN85A, ASN85B, ASN96A, ASN96B, ASP111A, ASP111B, ASP166A, ASP45A, ASP45B, ASP67A, ASP67B, ASP94A, ASP94B, CYS92A, CYS92B, GLN71A, GLN71B, GLU105A, GLU105B, GLU114A, GLU114B, GLU119A, GLU119B, GLU125B, GLU168A, GLU168B, GLU301A, GLU301B, GLU302A, GLU302B, GLU42A, GLU42B, GLU48A, GLU48B, GLU66A, GLU66B, GLU75A, GLU75B, GLY106A, GLY106B, GLY303A, GLY303B, GLY68A, GLY68B, GLY72A, GLY72B, GLY90A, GLY90B, ILE101A, ILE101B, ILE107A, ILE107B, ILE113A, ILE113B, ILE47A, ILE47B, ILE91A, ILE91B, ILE97A, ILE97B, LEU102A, LEU102B, LEU239A, LEU239B, LEU46A, LEU46B, LEU74A, LEU74B, LEU77A, LEU77B, LEU87A, LEU87B, LYS100A, LYS100B, LYS117A, LYS117B, LYS237A, LYS237B, LYS240A, LYS240B, LYS300A, LYS300B, LYS43A, LYS43B, LYS95A, LYS95B, LYS99A, LYS99B, SER139A, SER139B, SER167A, SER167B, SER76A, SER76B, SER88A, SER88B, SER89A, SER89B, SER98A, SER98B, THR109A, THR109B, THR116A, THR69A, THR69B, THR73A, THR73B, TRP112A, TRP112B, TRP165B, TYR104A, TYR104B, TYR64A, TYR64B, VAL298B, VAL70A, VAL70B