PDB entry 3tib

View 3tib on RCSB PDB site
Description: Crystal structure of 1957 pandemic H2N2 neuraminidase complexed with laninamivir octanoate
Class: hydrolase/hydrolase inhibitor
Keywords: 6-BLADED BETA-PROPELLER, Calcium Binding, Glycosylation, antiviral, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2011-08-20, released 2011-11-16
The last revision prior to the SCOPe 2.07 freeze date was dated 2011-11-16, with a file datestamp of 2011-11-11.
Experiment type: XRAY
Resolution: 2.2 Å
R-factor: 0.157
AEROSPACI score: 0.43 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Neuraminidase
    Species: Influenza A virus [TaxId:382827]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3tiba_
  • Chain 'B':
    Compound: Neuraminidase
    Species: Influenza A virus [TaxId:382827]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3tibb_
  • Chain 'C':
    Compound: Neuraminidase
    Species: Influenza A virus [TaxId:382827]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3tibc_
  • Chain 'D':
    Compound: Neuraminidase
    Species: Influenza A virus [TaxId:382827]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3tibd_
  • Heterogens: CA, LVO, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3tibA (A:)
    mnpnqkiitigsvsltiatvcflmqiailattvtlhfkqhecdspasnqvmpcepiiier
    niteivylnnttiekeicpkvveyrnwskpqcqitgfapfskdnsirlsaggdiwvtrep
    yvscdpgkcyqfalgqgttldnkhsndtvhdriphrtllmnelgvpfhlgtrqvciawss
    sschdgkawlhvcitgddknatasfiydgrlvdsigswsqnilrtqesecvcingtctvv
    mtdgsasgradtrilfieegkivhisplsgsaqhieecscyprypgvrcicrdnwkgsnr
    pvvdinmedysidssyvcsglvgdtprnddsssnsncrnpnnergtqgvkgwafdngndl
    wmgrtiskesrsgyetfkviggwstpnsksqvnrqvivdnnnwsgysgifsvegkscinr
    cfyvelirgrpqetrvwwtsnsivvfcgtsgtygtgswpdganinfmpi
    

    Sequence, based on observed residues (ATOM records): (download)
    >3tibA (A:)
    veyrnwskpqcqitgfapfskdnsirlsaggdiwvtrepyvscdpgkcyqfalgqgttld
    nkhsndtvhdriphrtllmnelgvpfhlgtrqvciawsssschdgkawlhvcitgddkna
    tasfiydgrlvdsigswsqnilrtqesecvcingtctvvmtdgsasgradtrilfieegk
    ivhisplsgsaqhieecscyprypgvrcicrdnwkgsnrpvvdinmedysidssyvcsgl
    vgdtprnddsssnsncrnpnnergtqgvkgwafdngndlwmgrtiskesrsgyetfkvig
    gwstpnsksqvnrqvivdnnnwsgysgifsvegkscinrcfyvelirgrpqetrvwwtsn
    sivvfcgtsgtygtgswpdganinfmpi
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3tibB (B:)
    mnpnqkiitigsvsltiatvcflmqiailattvtlhfkqhecdspasnqvmpcepiiier
    niteivylnnttiekeicpkvveyrnwskpqcqitgfapfskdnsirlsaggdiwvtrep
    yvscdpgkcyqfalgqgttldnkhsndtvhdriphrtllmnelgvpfhlgtrqvciawss
    sschdgkawlhvcitgddknatasfiydgrlvdsigswsqnilrtqesecvcingtctvv
    mtdgsasgradtrilfieegkivhisplsgsaqhieecscyprypgvrcicrdnwkgsnr
    pvvdinmedysidssyvcsglvgdtprnddsssnsncrnpnnergtqgvkgwafdngndl
    wmgrtiskesrsgyetfkviggwstpnsksqvnrqvivdnnnwsgysgifsvegkscinr
    cfyvelirgrpqetrvwwtsnsivvfcgtsgtygtgswpdganinfmpi
    

    Sequence, based on observed residues (ATOM records): (download)
    >3tibB (B:)
    veyrnwskpqcqitgfapfskdnsirlsaggdiwvtrepyvscdpgkcyqfalgqgttld
    nkhsndtvhdriphrtllmnelgvpfhlgtrqvciawsssschdgkawlhvcitgddkna
    tasfiydgrlvdsigswsqnilrtqesecvcingtctvvmtdgsasgradtrilfieegk
    ivhisplsgsaqhieecscyprypgvrcicrdnwkgsnrpvvdinmedysidssyvcsgl
    vgdtprnddsssnsncrnpnnergtqgvkgwafdngndlwmgrtiskesrsgyetfkvig
    gwstpnsksqvnrqvivdnnnwsgysgifsvegkscinrcfyvelirgrpqetrvwwtsn
    sivvfcgtsgtygtgswpdganinfmpi
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3tibC (C:)
    mnpnqkiitigsvsltiatvcflmqiailattvtlhfkqhecdspasnqvmpcepiiier
    niteivylnnttiekeicpkvveyrnwskpqcqitgfapfskdnsirlsaggdiwvtrep
    yvscdpgkcyqfalgqgttldnkhsndtvhdriphrtllmnelgvpfhlgtrqvciawss
    sschdgkawlhvcitgddknatasfiydgrlvdsigswsqnilrtqesecvcingtctvv
    mtdgsasgradtrilfieegkivhisplsgsaqhieecscyprypgvrcicrdnwkgsnr
    pvvdinmedysidssyvcsglvgdtprnddsssnsncrnpnnergtqgvkgwafdngndl
    wmgrtiskesrsgyetfkviggwstpnsksqvnrqvivdnnnwsgysgifsvegkscinr
    cfyvelirgrpqetrvwwtsnsivvfcgtsgtygtgswpdganinfmpi
    

    Sequence, based on observed residues (ATOM records): (download)
    >3tibC (C:)
    veyrnwskpqcqitgfapfskdnsirlsaggdiwvtrepyvscdpgkcyqfalgqgttld
    nkhsndtvhdriphrtllmnelgvpfhlgtrqvciawsssschdgkawlhvcitgddkna
    tasfiydgrlvdsigswsqnilrtqesecvcingtctvvmtdgsasgradtrilfieegk
    ivhisplsgsaqhieecscyprypgvrcicrdnwkgsnrpvvdinmedysidssyvcsgl
    vgdtprnddsssnsncrnpnnergtqgvkgwafdngndlwmgrtiskesrsgyetfkvig
    gwstpnsksqvnrqvivdnnnwsgysgifsvegkscinrcfyvelirgrpqetrvwwtsn
    sivvfcgtsgtygtgswpdganinfmpi
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >3tibD (D:)
    mnpnqkiitigsvsltiatvcflmqiailattvtlhfkqhecdspasnqvmpcepiiier
    niteivylnnttiekeicpkvveyrnwskpqcqitgfapfskdnsirlsaggdiwvtrep
    yvscdpgkcyqfalgqgttldnkhsndtvhdriphrtllmnelgvpfhlgtrqvciawss
    sschdgkawlhvcitgddknatasfiydgrlvdsigswsqnilrtqesecvcingtctvv
    mtdgsasgradtrilfieegkivhisplsgsaqhieecscyprypgvrcicrdnwkgsnr
    pvvdinmedysidssyvcsglvgdtprnddsssnsncrnpnnergtqgvkgwafdngndl
    wmgrtiskesrsgyetfkviggwstpnsksqvnrqvivdnnnwsgysgifsvegkscinr
    cfyvelirgrpqetrvwwtsnsivvfcgtsgtygtgswpdganinfmpi
    

    Sequence, based on observed residues (ATOM records): (download)
    >3tibD (D:)
    veyrnwskpqcqitgfapfskdnsirlsaggdiwvtrepyvscdpgkcyqfalgqgttld
    nkhsndtvhdriphrtllmnelgvpfhlgtrqvciawsssschdgkawlhvcitgddkna
    tasfiydgrlvdsigswsqnilrtqesecvcingtctvvmtdgsasgradtrilfieegk
    ivhisplsgsaqhieecscyprypgvrcicrdnwkgsnrpvvdinmedysidssyvcsgl
    vgdtprnddsssnsncrnpnnergtqgvkgwafdngndlwmgrtiskesrsgyetfkvig
    gwstpnsksqvnrqvivdnnnwsgysgifsvegkscinrcfyvelirgrpqetrvwwtsn
    sivvfcgtsgtygtgswpdganinfmpi