3K5D

crystal structure of bace-1 in complex with ahm178

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 100
  • Norm. En. per Res.: -1.6715
• Hub Node: A(2)

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	-22.3728	15.8967	-160.671	-167.147	100	15	7	8193	4	27	21
A-C	-9.458	42.3788	-96.0774	-63.1566	52	2	1	3916	0	20	20

Interface residues

• A-B: ALA250A, ALA250B, ALA251A, ALA251B, ALA368A, ALA368B, ALA369A, ALA369B, ARG205A, ARG205B, ARG297A, ARG297B, ARG366A, ARG366B, ASN209A, ASN209B, ASN278A, ASN278B, ASN293A, ASN293B, ASP212A, ASP212B, ASP363A, ASP363B, GLN211A, GLN211B, GLN294A, GLN294B, GLU207A, GLU207B, GLU255A, GLU255B, GLU364A, GLU364B, GLU371A, GLU371B, GLY186B, GLY210A, GLY210B, GLY372A, GLY372B, HIS362A, ILE208A, ILE208B, ILE279A, ILE279B, LEU301A, LEU301B, LEU377A, LYS214A, LYS214B, LYS246A, LYS246B, LYS249A, LYS249B, LYS256B, PHE280A, PHE280B, PHE365A, PHE365B, PHE374A, PHE374B, PRO276A, PRO276B, PRO281A, PRO281B, PRO302A, PRO373A, PRO373B, SER247A, SER247B, SER252A, SER252B, SER253A, SER253B, SER284A, SER284B, SER295A, SER295B, THR254A, THR254B, THR292B, THR299A, THR299B, THR367A, THR367B, THR376A, THR376B, TRP189B, TRP277A, TRP277B, TYR286A, TYR286B, VAL282A, VAL282B, VAL356A, VAL356B, VAL370B, VAL375A, VAL375B
• A-C: ALA358C, ARG128A, ARG64A, ARG7C, ASN385A, ASN5C, ASN92C, ASP106A, ASP130A, ASP131A, ASP180C, ASP4C, CYS359C, GLN153C, GLN316C, GLN73A, GLU104A, GLU1C, GLU77A, GLU79A, GLY186C, GLY66A, GLY78A, HIS181C, HIS360C, HIS362C, HIS89C, ILE102A, ILE175C, LEU183C, LYS107A, LYS65A, LYS75A, MET2C, PHE47C, PRO129A, PRO70A, SER105A, SER132A, SER173C, SER182C, SER328A, SER46C, THR103A, THR185C, TRP76A, TYR184C, TYR68A, VAL3C, VAL48C, VAL67A, VAL69A