PDB entry 3l1s

View 3l1s on RCSB PDB site
Description: 3-Aryl-4-(arylhydrazono)-1H-pyrazol-5-ones: Highly ligand efficient and potent inhibitors of GSK3
Class: transferase
Keywords: kinase, pyrazole, GSK3, ATP-binding, Nucleotide-binding, Serine/threonine-protein kinase, Wnt signaling pathway, TRANSFERASE
Deposited on 2009-12-14, released 2010-03-02
The last revision prior to the SCOPe 2.03 freeze date was dated 2010-09-08, with a file datestamp of 2010-09-03.
Experiment type: XRAY
Resolution: 2.9 Å
R-factor: 0.186
AEROSPACI score: 0.28 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Glycogen synthase kinase-3 beta
    Species: Homo sapiens [TaxId:9606]
    Gene: GSK3B
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.03: d3l1sa_
  • Chain 'B':
    Compound: Glycogen synthase kinase-3 beta
    Species: Homo sapiens [TaxId:9606]
    Gene: GSK3B
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.03: d3l1sb_
  • Heterogens: Z92, PO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3l1sA (A:)
    ttsfaesckpvqqpsafgsmkvsrdkdgskvttvvatpgqgpdrpqevsytdtkvigngs
    fgvvyqaklcdsgelvaikkvlqdkrfknrelqimrkldhcnivrlryffyssgekkdev
    ylnlvldyvpetvyrvarhysrakqtlpviyvklymyqlfrslayihsfgichrdikpqn
    llldpdtavlklcdfgsakqlvrgepnvsyicsryyrapelifgatdytssidvwsagcv
    laelllgqpifpgdsgvdqlveiikvlgtptreqiremnpnytefkfpqikahpwtkvfr
    prtppeaialcsrlleytptarltpleacahsffdelrdpnvklpngrdtpalfnfttqe
    lssnpplatilipphariqaaastptnataasdantgdrgqtnnaasasasnst
    

    Sequence, based on observed residues (ATOM records): (download)
    >3l1sA (A:)
    smkvsrdskvttvvatpgqgpdrpqevsytdtkvigngsfgvvyqaklcdsgelvaikkv
    lqdkrfknrelqimrkldhcnivrlryffysvylnlvldyvpetvyrvarhysrakqtlp
    viyvklymyqlfrslayihsfgichrdikpqnllldpdtavlklcdfgsakqlvrgepnv
    syicsryyrapelifgatdytssidvwsagcvlaelllgqpifpgdsgvdqlveiikvlg
    tptreqiremnpwtkvfrprtppeaialcsrlleytptarltpleacahsffdelrdpnv
    klpngrdtpalfnfttqelssnpplatilipphari
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3l1sB (B:)
    ttsfaesckpvqqpsafgsmkvsrdkdgskvttvvatpgqgpdrpqevsytdtkvigngs
    fgvvyqaklcdsgelvaikkvlqdkrfknrelqimrkldhcnivrlryffyssgekkdev
    ylnlvldyvpetvyrvarhysrakqtlpviyvklymyqlfrslayihsfgichrdikpqn
    llldpdtavlklcdfgsakqlvrgepnvsyicsryyrapelifgatdytssidvwsagcv
    laelllgqpifpgdsgvdqlveiikvlgtptreqiremnpnytefkfpqikahpwtkvfr
    prtppeaialcsrlleytptarltpleacahsffdelrdpnvklpngrdtpalfnfttqe
    lssnpplatilipphariqaaastptnataasdantgdrgqtnnaasasasnst
    

    Sequence, based on observed residues (ATOM records): (download)
    >3l1sB (B:)
    kvttvvatpgqgpdrpqevsytdtkvigngsfgvvyqaklcdsgelvaikkvlqdkrfkn
    relqimrkldhcnivrlryffysskkdevylnlvldyvpetvyrvarhysrakqtlpviy
    vklymyqlfrslayihsfgichrdikpqnllldpdtavlklcdfgsakqlvrgepnvsyi
    csryyrapelifgatdytssidvwsagcvlaelllgqpifpgdsgvdqlveiikvlgtpt
    reqiremnwtkvfrprtppeaialcsrlleytptarltpleacahsffdelrdpnvklpn
    grdtpalfnfttqelssnpplatilippha