PDB entry 4cto

View 4cto on RCSB PDB site
Description: Glucopyranosylidene-spiro-iminothiazolidinone, a New Bicyclic Ring System: Synthesis, Derivatization, and Evaluation as Glycogen Phosphorylase Inhibitors by Enzyme Kinetic and Crystallographic Methods
Class: transferase
Keywords: transferase, type 2 diabetes, inhibitor, structure-based drug design
Deposited on 2014-03-15, released 2014-08-06
The last revision prior to the SCOPe 2.07 freeze date was dated 2014-08-06, with a file datestamp of 2014-08-01.
Experiment type: XRAY
Resolution: 1.9 Å
R-factor: 0.17728
AEROSPACI score: 0.41 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Glycogen phosphorylase, muscle form
    Species: Oryctolagus cuniculus [TaxId:9986]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4ctoa_
  • Heterogens: M7C, PLP, PO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4ctoA (A:)
    msrplsdqekrkqisvrglagvenvtelkknfnrhlhftlvkdrnvatprdyyfalahtv
    rdhlvgrwirtqqhyyekdpkriyylslefymgrtlqntmvnlalenacdeatyqlgldm
    eeleeieedaglgngglgrlaacfldsmatlglaaygygiryefgifnqkicggwqmeea
    ddwlrygnpwekarpeftlpvhfygrvehtsqgakwvdtqvvlampydtpvpgyrnnvvn
    tmrlwsakapndfnlkdfnvggyiqavldrnlaenisrvlypndnffegkelrlkqeyfv
    vaatlqdiirrfksskfgcrdpvrtnfdafpdkvaiqlndthpslaipelmrvlvdlerl
    dwdkawevtvktcaytnhtvlpealerwpvhlletllprhlqiiyeinqrflnrvaaafp
    gdvdrlrrmslveegavkrinmahlciagshavngvarihseilkktifkdfyelephkf
    qnktngitprrwlvlcnpglaeiiaerigeeyisdldqlrkllsyvddeafirdvakvkq
    enklkfaaylereykvhinpnslfdvqvkriheykrqllnclhvitlynrikkepnkfvv
    prtvmiggkaapgyhmakmiiklitaigdvvnhdpvvgdrlrviflenyrvslaekvipa
    adlseqistagteasgtgnmkfmlngaltigtmdganvemaeeageenffifgmrvedvd
    rldqrgynaqeyydripelrqiieqlssgffspkqpdlfkdivnmlmhhdrfkvfadyee
    yvkcqervsalyknprewtrmvirniatsgkfssdrtiaqyareiwgvepsrqrlpapde
    kip
    

    Sequence, based on observed residues (ATOM records): (download)
    >4ctoA (A:)
    qisvrglagvenvtelkknfnrhlhftlvkdrnvatprdyyfalahtvrdhlvgrwirtq
    qhyyekdpkriyylslefymgrtlqntmvnlalenacdeatyqlgldmeeleeieedagl
    gngglgrlaacfldsmatlglaaygygiryefgifnqkicggwqmeeaddwlrygnpwek
    arpeftlpvhfygrvehtsqgakwvdtqvvlampydtpvpgyrnnvvntmrlwsakapnd
    fnlgyiqavldrnlaenisrvlypndnffegkelrlkqeyfvvaatlqdiirrfksstnf
    dafpdkvaiqlndthpslaipelmrvlvdlerldwdkawevtvktcaytnhtvlpealer
    wpvhlletllprhlqiiyeinqrflnrvaaafpgdvdrlrrmslveegavkrinmahlci
    agshavngvarihseilkktifkdfyelephkfqnktngitprrwlvlcnpglaeiiaer
    igeeyisdldqlrkllsyvddeafirdvakvkqenklkfaaylereykvhinpnslfdvq
    vkriheykrqllnclhvitlynrikkepnkfvvprtvmiggkaapgyhmakmiiklitai
    gdvvnhdpvvgdrlrviflenyrvslaekvipaadlseqistagteasgtgnmkfmlnga
    ltigtmdganvemaeeageenffifgmrvedvdrldqrgynaqeyydripelrqiieqls
    sgffspkqpdlfkdivnmlmhhdrfkvfadyeeyvkcqervsalyknprewtrmvirnia
    tsgkfssdrtiaqyareiwgvepsrqrlpa