PDB entry 5w13

View 5w13 on RCSB PDB site
Description: ADC-7 in complex with boronic acid transition state inhibitor SM23
Class: hydrolase/hydrolase inhibitor
Keywords: inhibitor, Beta-lactamase, BATSI, ADC-7, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2017-06-01, released 2017-11-29
The last revision prior to the SCOPe 2.07 freeze date was dated 2017-12-20, with a file datestamp of 2017-12-15.
Experiment type: XRAY
Resolution: 1.95 Å
R-factor: N/A
AEROSPACI score: 0.32 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Beta-lactamase
    Species: ACINETOBACTER BAUMANNII [TaxId:470]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5w13a_
  • Chain 'B':
    Compound: Beta-lactamase
    Species: ACINETOBACTER BAUMANNII [TaxId:470]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5w13b_
  • Chain 'C':
    Compound: Beta-lactamase
    Species: ACINETOBACTER BAUMANNII [TaxId:470]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5w13c_
  • Chain 'D':
    Compound: Beta-lactamase
    Species: ACINETOBACTER BAUMANNII [TaxId:470]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5w13d_
  • Heterogens: SM2, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5w13A (A:)
    mdntpkdqeikklvdqnfkpllekydvpgmavgviqnnkkyemyyglqsvqdkkavnsnt
    ifelgsvsklftataggyaknkgkisfddtpgkywkelkntpidqvnllqlatytsgnla
    lqfpdevqtdqqvltffkdwkpknpigeyrqysnpsiglfgkvvalsmnkpfdqvlekti
    fpalglkhsyvnvpktqmqnyafgynqenqpirvnpgpldapaygvkstlpdmlsfihan
    lnpqkyptdiqrainethqgryqvntmyqalgweefsypatlqtlldsnseqivmkpnkv
    taiskepsvkmyhktgstsgfgtyvvfipkeniglvmltnkripneerikaayvvlnaik
    k
    

    Sequence, based on observed residues (ATOM records): (download)
    >5w13A (A:)
    dqeikklvdqnfkpllekydvpgmavgviqnnkkyemyyglqsvqdkkavnsntifelgs
    vsklftataggyaknkgkisfddtpgkywkelkntpidqvnllqlatytsgnlalqfpde
    vqtdqqvltffkdwkpknpigeyrqysnpsiglfgkvvalsmnkpfdqvlektifpalgl
    khsyvnvpktqmqnyafgynqenqpirvnpgpldapaygvkstlpdmlsfihanlnpqky
    ptdiqrainethqgryqvntmyqalgweefsypatlqtlldsnseqivmkpnkvtaiske
    psvkmyhktgstsgfgtyvvfipkeniglvmltnkripneerikaayvvlnaik
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >5w13B (B:)
    mdntpkdqeikklvdqnfkpllekydvpgmavgviqnnkkyemyyglqsvqdkkavnsnt
    ifelgsvsklftataggyaknkgkisfddtpgkywkelkntpidqvnllqlatytsgnla
    lqfpdevqtdqqvltffkdwkpknpigeyrqysnpsiglfgkvvalsmnkpfdqvlekti
    fpalglkhsyvnvpktqmqnyafgynqenqpirvnpgpldapaygvkstlpdmlsfihan
    lnpqkyptdiqrainethqgryqvntmyqalgweefsypatlqtlldsnseqivmkpnkv
    taiskepsvkmyhktgstsgfgtyvvfipkeniglvmltnkripneerikaayvvlnaik
    k
    

    Sequence, based on observed residues (ATOM records): (download)
    >5w13B (B:)
    ntpkdqeikklvdqnfkpllekydvpgmavgviqnnkkyemyyglqsvqdkkavnsntif
    elgsvsklftataggyaknkgkisfddtpgkywkelkntpidqvnllqlatytsgnlalq
    fpdevqtdqqvltffkdwkpknpigeyrqysnpsiglfgkvvalsmnkpfdqvlektifp
    alglkhsyvnvpktqmqnyafgynqenqpirvnpgpldapaygvkstlpdmlsfihanln
    pqkyptdiqrainethqgryqvntmyqalgweefsypatlqtlldsnseqivmkpnkvta
    iskepsvkmyhktgstsgfgtyvvfipkeniglvmltnkripneerikaayvvlnaikk
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >5w13C (C:)
    mdntpkdqeikklvdqnfkpllekydvpgmavgviqnnkkyemyyglqsvqdkkavnsnt
    ifelgsvsklftataggyaknkgkisfddtpgkywkelkntpidqvnllqlatytsgnla
    lqfpdevqtdqqvltffkdwkpknpigeyrqysnpsiglfgkvvalsmnkpfdqvlekti
    fpalglkhsyvnvpktqmqnyafgynqenqpirvnpgpldapaygvkstlpdmlsfihan
    lnpqkyptdiqrainethqgryqvntmyqalgweefsypatlqtlldsnseqivmkpnkv
    taiskepsvkmyhktgstsgfgtyvvfipkeniglvmltnkripneerikaayvvlnaik
    k
    

    Sequence, based on observed residues (ATOM records): (download)
    >5w13C (C:)
    pkdqeikklvdqnfkpllekydvpgmavgviqnnkkyemyyglqsvqdkkavnsntifel
    gsvsklftataggyaknkgkisfddtpgkywkelkntpidqvnllqlatytsgnlalqfp
    devqtdqqvltffkdwkpknpigeyrqysnpsiglfgkvvalsmnkpfdqvlektifpal
    glkhsyvnvpktqmqnyafgynqenqpirvnpgpldapaygvkstlpdmlsfihanlnpq
    kyptdiqrainethqgryqvntmyqalgweefsypatlqtlldsnseqivmkpnkvtais
    kepsvkmyhktgstsgfgtyvvfipkeniglvmltnkripneerikaayvvlnai
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >5w13D (D:)
    mdntpkdqeikklvdqnfkpllekydvpgmavgviqnnkkyemyyglqsvqdkkavnsnt
    ifelgsvsklftataggyaknkgkisfddtpgkywkelkntpidqvnllqlatytsgnla
    lqfpdevqtdqqvltffkdwkpknpigeyrqysnpsiglfgkvvalsmnkpfdqvlekti
    fpalglkhsyvnvpktqmqnyafgynqenqpirvnpgpldapaygvkstlpdmlsfihan
    lnpqkyptdiqrainethqgryqvntmyqalgweefsypatlqtlldsnseqivmkpnkv
    taiskepsvkmyhktgstsgfgtyvvfipkeniglvmltnkripneerikaayvvlnaik
    k
    

    Sequence, based on observed residues (ATOM records): (download)
    >5w13D (D:)
    tpkdqeikklvdqnfkpllekydvpgmavgviqnnkkyemyyglqsvqdkkavnsntife
    lgsvsklftataggyaknkgkisfddtpgkywkelkntpidqvnllqlatytsgnlalqf
    pdevqtdqqvltffkdwkpknpigeyrqysnpsiglfgkvvalsmnkpfdqvlektifpa
    lglkhsyvnvpktqmqnyafgynqenqpirvnpgpldapaygvkstlpdmlsfihanlnp
    qkyptdiqrainethqgryqvntmyqalgweefsypatlqtlldsnseqivmkpnkvtai
    skepsvkmyhktgstsgfgtyvvfipkeniglvmltnkripneerikaayvvlnaikk