PDB entry 4fsl

View 4fsl on RCSB PDB site
Description: Crystal structure of beta-site app-cleaving enzyme 1 (BACE-DB-MUT) complex with N-(N-(4- acetamido-3-chloro-5-methylbenzyl)carbamimidoyl)-3-(4- methoxyphenyl)-5-methyl-4-isothiazolecarboxamide
Class: hydrolase/inhibitor
Keywords: ALZHEIMER'S DISEASE, BETA-SECRETASE, MEMAPSIN 2, BASE, ASPARTIC PROTEASE, HYDROLASE-INHIBITOR complex
Deposited on 2012-06-27, released 2012-10-10
The last revision prior to the SCOPe 2.04 freeze date was dated 2013-07-10, with a file datestamp of 2013-07-05.
Experiment type: XRAY
Resolution: 2.5 Å
R-factor: 0.227
AEROSPACI score: 0.3 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Beta-secretase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: BACE1, BACE, KIAA1149
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.04: d4fsla_
  • Chain 'B':
    Compound: Beta-secretase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: BACE1, BACE, KIAA1149
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.04: d4fslb_
  • Chain 'D':
    Compound: Beta-secretase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: BACE1, BACE, KIAA1149
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.04: d4fsld_
  • Chain 'E':
    Compound: Beta-secretase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: BACE1, BACE, KIAA1149
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.04: d4fsle_
  • Heterogens: 0VB, IOD, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4fslA (A:)
    lpretdeepeepgkkgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavg
    aaphpflhryyqrqlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaa
    itesdkffingsnwegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfpl
    nqsevlasvggsmiiggidhslytgslwytpirrewyyeviivrveingqdlkmdckeyn
    ydksivdsgttnlrlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifp
    vislylmgevtnqsfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegf
    yvvfdrarkrigfavsachvhdefrtaavegpfvtldmedcgynipqtdest
    

    Sequence, based on observed residues (ATOM records): (download)
    >4fslA (A:)
    fvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrqlss
    tyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwegi
    lglayaeiarpddslepffdslvkqthvpnlfslqlcgagfplnqsevlasvggsmiigg
    idhslytgslwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpk
    kvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfri
    tilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsa
    chvhdefrtaavegpfvtldmedcgyn
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4fslB (B:)
    lpretdeepeepgkkgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavg
    aaphpflhryyqrqlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaa
    itesdkffingsnwegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfpl
    nqsevlasvggsmiiggidhslytgslwytpirrewyyeviivrveingqdlkmdckeyn
    ydksivdsgttnlrlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifp
    vislylmgevtnqsfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegf
    yvvfdrarkrigfavsachvhdefrtaavegpfvtldmedcgynipqtdest
    

    Sequence, based on observed residues (ATOM records): (download)
    >4fslB (B:)
    fvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrqlss
    tyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwegi
    lglayaeiarpddslepffdslvkqthvpnlfslqlcgagfplnqsevlasvggsmiigg
    idhslytgslwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpk
    kvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfri
    tilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsa
    chvhdefrtaavegpfvtldmedcgyn
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >4fslD (D:)
    lpretdeepeepgkkgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavg
    aaphpflhryyqrqlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaa
    itesdkffingsnwegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfpl
    nqsevlasvggsmiiggidhslytgslwytpirrewyyeviivrveingqdlkmdckeyn
    ydksivdsgttnlrlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifp
    vislylmgevtnqsfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegf
    yvvfdrarkrigfavsachvhdefrtaavegpfvtldmedcgynipqtdest
    

    Sequence, based on observed residues (ATOM records): (download)
    >4fslD (D:)
    fvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrqlss
    tyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwegi
    lglayaeiarpddslepffdslvkqthvpnlfslqlcgagfplnqsevlasvggsmiigg
    idhslytgslwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpk
    kvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfri
    tilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsa
    chvhdefrtaavegpfvtldmedcgyn
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >4fslE (E:)
    lpretdeepeepgkkgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavg
    aaphpflhryyqrqlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaa
    itesdkffingsnwegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfpl
    nqsevlasvggsmiiggidhslytgslwytpirrewyyeviivrveingqdlkmdckeyn
    ydksivdsgttnlrlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifp
    vislylmgevtnqsfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegf
    yvvfdrarkrigfavsachvhdefrtaavegpfvtldmedcgynipqtdest
    

    Sequence, based on observed residues (ATOM records): (download)
    >4fslE (E:)
    fvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrqlss
    tyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwegi
    lglayaeiarpddslepffdslvkqthvpnlfslqlcgagfplnqsevlasvggsmiigg
    idhslytgslwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpk
    kvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfri
    tilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsa
    chvhdefrtaavegpfvtldmedcgyn