PDB entry 3s3r

View 3s3r on RCSB PDB site
Description: Structure of cathepsin B1 from Schistosoma mansoni in complex with K11777 inhibitor
Class: hydrolase/hydrolase inhibitor
Keywords: peptidase, digestive tract, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2011-05-18, released 2011-08-10
The last revision prior to the SCOPe 2.07 freeze date was dated 2011-10-26, with a file datestamp of 2011-10-21.
Experiment type: XRAY
Resolution: 2.64 Å
R-factor: 0.208
AEROSPACI score: 0.28 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Cathepsin B-like peptidase (C01 family)
    Species: Schistosoma mansoni [TaxId:6183]
    Gene: cb1.1, Smp_103610
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q8MNY2 (0-253)
      • engineered mutation (98)
      • engineered mutation (213)
    Domains in SCOPe 2.07: d3s3ra_
  • Chain 'B':
    Compound: Cathepsin B-like peptidase (C01 family)
    Species: Schistosoma mansoni [TaxId:6183]
    Gene: cb1.1, Smp_103610
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q8MNY2 (0-253)
      • engineered mutation (98)
      • engineered mutation (213)
    Domains in SCOPe 2.07: d3s3rb_
  • Chain 'C':
    Compound: Cathepsin B-like peptidase (C01 family)
    Species: Schistosoma mansoni [TaxId:6183]
    Gene: cb1.1, Smp_103610
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q8MNY2 (Start-253)
      • engineered mutation (98)
      • engineered mutation (213)
    Domains in SCOPe 2.07: d3s3rc_
  • Heterogens: 0IW, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download)
    >3s3rA (A:)
    veipssfdsrkkwprcksiatirdqsrcgscwafgaveamsdrsciqsggkqnvelsavd
    llsccescglgceggilgpawdywvkegivtgsskenhagcepypfpkcehhtkgkyppc
    gskiyktprckqtcqkkyktpytqdkhrgkssynvkndekaiqkeimkygpveagftvye
    dflnyksgiykhitgetlgghairiigwgvenkapywlianswnedwgengyfrivrgrd
    ecsiesevtagrin
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3s3rB (B:)
    veipssfdsrkkwprcksiatirdqsrcgscwafgaveamsdrsciqsggkqnvelsavd
    llsccescglgceggilgpawdywvkegivtgsskenhagcepypfpkcehhtkgkyppc
    gskiyktprckqtcqkkyktpytqdkhrgkssynvkndekaiqkeimkygpveagftvye
    dflnyksgiykhitgetlgghairiigwgvenkapywlianswnedwgengyfrivrgrd
    ecsiesevtagrin
    

    Sequence, based on observed residues (ATOM records): (download)
    >3s3rB (B:)
    veipssfdsrkkwprcksiatirdqsrcgscwafgaveamsdrsciqsvelsavdllscc
    escglgceggilgpawdywvkegivtgsskenhagcepypfpkcehhtkgkyppcgskiy
    ktprckqtcqkkyktpytqdkhrgkssynvkndekaiqkeimkygpveagftvyedflny
    ksgiykhitgetlgghairiigwgvenkapywlianswnedwgengyfrivrgrdecsie
    sevtagrin
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3s3rC (C:)
    veipssfdsrkkwprcksiatirdqsrcgscwafgaveamsdrsciqsggkqnvelsavd
    llsccescglgceggilgpawdywvkegivtgsskenhagcepypfpkcehhtkgkyppc
    gskiyktprckqtcqkkyktpytqdkhrgkssynvkndekaiqkeimkygpveagftvye
    dflnyksgiykhitgetlgghairiigwgvenkapywlianswnedwgengyfrivrgrd
    ecsiesevtagrin
    

    Sequence, based on observed residues (ATOM records): (download)
    >3s3rC (C:)
    eipssfdsrkkwprcksiatirdqsrcgscwafgaveamsdrsciqsggkqnvelsavdl
    lsccescglgceggilgpawdywvkegivtgsskenhagcepypfpkcehhtkgkyppcg
    skiyktprckqtcqkkyktpytqdkhrgkssynvkndekaiqkeimkygpveagftvyed
    flnyksgiykhitgetlgghairiigwgvenkapywlianswnedwgengyfrivrgrde
    csiesevtagrin