2XWE

x-ray structure of acid-beta-glucosidase with 5n,6s-(n'-(n- octyl)imino)-6-thionojirimycin in the active site

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 100
  • Norm. En. per Res.: -1.8764
• 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	-3.9506	-3.3154	-180.379	-187.645	100	1	10	8086	0	15	23

Interface residues

• A-B: ALA238A, ALA238B, ALA318A, ALA318B, ALA322A, ALA322B, ARG285A, ARG329A, ARG329B, ARG463A, ARG463B, ASN396A, ASP283A, ASP283B, ASP315A, ASP315B, ASP358A, ASP358B, GLN284A, GLN284B, GLN362A, GLN362B, GLU235A, GLU235B, GLU254A, GLU254B, GLU326A, GLU326B, GLU349A, GLU349B, GLY193A, GLY193B, GLY239A, GLY239B, GLY243A, GLY243B, HIS290A, HIS290B, HIS365A, HIS365B, LEU240A, LEU240B, LEU241A, LEU241B, LEU281A, LEU281B, LEU286A, LEU286B, LEU287A, LEU287B, LEU314A, LEU314B, LEU317A, LEU317B, LYS194A, LYS194B, LYS293A, LYS293B, LYS321A, LYS321B, LYS346A, LYS346B, PHE246A, PHE246B, PHE251B, PHE316A, PHE316B, PHE347A, PHE347B, PRO236A, PRO236B, PRO245A, PRO245B, PRO253A, PRO253B, PRO289A, PRO289B, PRO319A, PRO319B, SER237A, SER237B, SER242A, SER242B, SER345B, THR252A, THR252B, THR323A, THR323B, TRP291A, TRP291B, TRP348A, TRP348B, TYR244A, TYR244B, TYR313A, TYR313B, VAL294A, VAL294B, VAL394A, VAL394B