2D2O

structure of a complex of thermoactinomyces vulgaris r-47 alpha-amylase 2 with maltohexaose demonstrates the important role of aromatic residues at the reducing end of the substrate binding cleft

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 230
  • Norm. En. per Res.: -3.5911
• 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	-178.0536	-147.7689	-500.132	-825.9545	230	34	5	20256	19	152	139

Interface residues

• A-B: ALA108A, ALA108B, ALA10A, ALA10B, ALA114A, ALA114B, ALA287A, ALA287B, ALA29A, ALA29B, ALA327A, ALA327B, ALA333A, ALA333B, ALA359A, ALA359B, ALA46A, ALA46B, ALA5A, ALA5B, ARG118A, ARG118B, ARG28A, ARG28B, ARG297A, ARG297B, ARG336A, ARG336B, ARG340A, ARG340B, ARG382A, ARG382B, ARG393A, ARG393B, ARG400A, ARG400B, ARG44A, ARG44B, ARG65A, ARG65B, ARG79A, ARG79B, ASN243A, ASN243B, ASN300A, ASN300B, ASN325B, ASN328A, ASN328B, ASP266B, ASP331A, ASP331B, ASP33A, ASP33B, ASP358A, ASP358B, ASP366A, ASP366B, ASP43A, ASP43B, ASP63A, ASP67A, GLN112A, GLN112B, GLN289A, GLN289B, GLN367A, GLN367B, GLU104B, GLU120A, GLU120B, GLU20A, GLU20B, GLU284A, GLU284B, GLU299A, GLU299B, GLU329A, GLU329B, GLU337A, GLU337B, GLU354A, GLU354B, GLU378A, GLU378B, GLU388A, GLU388B, GLU397A, GLU397B, GLU4A, GLU4B, GLU50A, GLU50B, GLU64A, GLU64B, GLU98A, GLU98B, GLU9A, GLU9B, GLY100A, GLY100B, GLY109A, GLY109B, GLY12A, GLY12B, GLY361A, GLY361B, GLY97A, GLY97B, HIS117A, HIS117B, HIS244A, HIS244B, HIS332A, HIS332B, HIS357A, HIS357B, HIS8A, HIS8B, ILE116A, ILE116B, ILE355A, ILE355B, ILE389A, ILE389B, ILE6A, ILE6B, LEU296A, LEU296B, LEU2A, LEU2B, LEU363A, LEU363B, LEU375A, LEU375B, LEU3A, LEU3B, LEU404A, LEU404B, LYS107A, LYS107B, LYS11A, LYS11B, LYS295A, LYS295B, LYS304A, LYS304B, LYS30A, LYS30B, LYS31A, LYS31B, LYS78A, LYS78B, LYS81B, MET1A, MET1B, MET364A, MET364B, PHE101A, PHE101B, PHE111A, PHE111B, PHE269A, PHE269B, PHE286A, PHE286B, PHE334A, PHE334B, PHE66A, PHE66B, PHE7A, PHE7B, PHE96A, PHE96B, PRO301A, PRO301B, SER102A, SER102B, SER106A, SER106B, SER119A, SER119B, SER13A, SER13B, SER360A, SER360B, SER379A, SER379B, SER47A, SER47B, SER76A, THR285A, THR285B, THR298A, THR298B, THR77A, THR77B, THR99A, THR99B, TRP335A, TRP335B, TRP356A, TRP356B, TRP362A, TRP362B, TYR113A, TYR113B, TYR115A, TYR115B, TYR14A, TYR14B, TYR405A, TYR405B, TYR45A, TYR45B, VAL110A, VAL110B, VAL121A, VAL121B, VAL288A, VAL288B, VAL290A, VAL290B, VAL326A, VAL326B, VAL330A, VAL330B, VAL80A, VAL94A, VAL94B