3OHF

crystal structure of beta-site app-cleaving enzyme 1 (bace-wt) complex with bms-655295 aka n~3~-((1s,2r)-1- benzyl-2-hydroxy-3-((3- methoxybenzyl)amino)propyl)-n~1~, n~1~-dibutyl-1h-indole-1,3- dicarboxamide

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 91
  • Norm. En. per Res.: -2.9911
• 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	-54.6518	-6.572	-210.968	-272.1918	91	20	1	7239	0	19	22

Interface residues

• A-B: ALA250A, ALA250B, ALA251A, ALA251B, ARG205A, ARG205B, ARG297A, ARG297B, ARG366A, ARG366B, ASN209A, ASN209B, ASN278A, ASN278B, ASN293A, ASP212A, ASP212B, ASP363A, ASP363B, ASP378A, ASP378B, GLN211A, GLN211B, GLN294A, GLN294B, GLU207A, GLU207B, GLU255A, GLU255B, GLU364A, GLU364B, GLU371A, GLU371B, GLY210A, GLY210B, GLY372A, GLY372B, ILE208A, ILE208B, ILE279A, ILE279B, LEU213A, LEU213B, LEU377A, LEU377B, LYS214A, LYS214B, LYS246A, LYS246B, MET379B, PHE280A, PHE280B, PHE365A, PHE365B, PHE374A, PHE374B, PRO276A, PRO276B, PRO281A, PRO281B, PRO373A, PRO373B, SER247A, SER247B, SER252A, SER252B, SER253A, SER253B, SER284A, SER284B, SER295A, SER295B, THR254A, THR254B, THR274A, THR274B, THR367A, THR367B, THR376A, THR376B, TRP277A, TRP277B, TYR286A, TYR286B, VAL204A, VAL204B, VAL206A, VAL282A, VAL282B, VAL375A, VAL375B