SCOPe 2.02: Domain d4i0za_: 4i0z A:

Lineage for d4i0za_ (4i0z A:)

1. Root: SCOPe 2.02

2. Class b: All beta proteins [48724] (174 folds)

3. Fold b.50: Acid proteases [50629] (1 superfamily)
   barrel, closed; n=6, S=10, complex topology

4. Superfamily b.50.1: Acid proteases [50630] (4 families)

5. Family b.50.1.2: Pepsin-like [50646] (11 proteins)
   duplication: consists of two similar barrel domains
   N-terminal: barrel, partly opened; n*=6, S*=10

6. Protein beta-secretase (memapsin) [50671] (1 species)

7. Species Human (Homo sapiens) [TaxId:9606] [50672] (139 PDB entries)
   Uniprot P56817 58-446 ! Uniprot P56817 60-447

8. Domain d4i0za_: 4i0z A: [196902]
   automated match to d2qk5a_
   complexed with 1bb, zn

Details for d4i0za_

PDB Entry: 4i0z, 1.8 Å

PDB Description: Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates

PDB Compounds: (A:) 2-{(1s)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}-4-oxo-1,4-dihydropyrimidine-5-carbonitrile

SCOPe Domain Sequences for d4i0za_:

Sequence, based on SEQRES records:

>d4i0za_ b.50.1.2 (A:) beta-secretase (memapsin) {Human (Homo sapiens) [TaxId: 9606]}
fvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrqlss
tyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwegi
lglayaeiarpddslepffdslvkqthvpnlfslqlcgagfplnqsevlasvggsmiigg
idhslytgslwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpk
kvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfri
tilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsa
chvhdefrtaavegpfvtldmedcgynipqtdesrshhhh

Sequence, based on observed residues (ATOM records):

>d4i0za_ b.50.1.2 (A:) beta-secretase (memapsin) {Human (Homo sapiens) [TaxId: 9606]}
fvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrqlss
tyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwegi
lglayaeiarpddslepffdslvkqthvpnlfslqlcglasvggsmiiggidhslytgsl
wytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavksi
kaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfritilpqqylrp
vedvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhdefrta
avegpfvtldmedcgynipqtdesrshhhh

Timeline for d4i0za_:

• d4i0za_ is new in SCOPe 2.02-stable
  
• d4i0za_ appears in SCOPe 2.03
  
• d4i0za_ appears in the current release, SCOPe 2.08, called d4i0za1