PDB entry 3s9i

View 3s9i on RCSB PDB site
Description: Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-4-dioxo-4-phenylbutanoic acid inhibitor
Class: transferase/transferase inhibitor
Keywords: inhibitor complex, Structural Genomics, Mycobacterium Tuberculosis Structural Proteomics Project, XMTB, malate synthase, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2011-06-01, released 2012-11-07
The last revision prior to the SCOPe 2.08 freeze date was dated 2017-11-08, with a file datestamp of 2017-11-03.
Experiment type: XRAY
Resolution: 1.9 Å
R-factor: N/A
AEROSPACI score: 0.34 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: malate synthase g
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: glcB, MT1885, MTCY1A11.06, Rv1837c
    Database cross-references and differences (RAF-indexed):
    • Uniprot P0A5J4
      • engineered mutation (618)
    Domains in SCOPe 2.08: d3s9ia_
  • Heterogens: XI7, MG, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3s9iA (A:)
    mtdrvsvgnlriarvlydfvnnealpgtdidpdsfwagvdkvvadltpqnqallnardel
    qaqidkwhrrrviepidmdayrqflteigyllpepddftittsgvdaeitttagpqlvvp
    vlnarfalnaanarwgslydalygtdvipetdgaekgptynkvrgdkviayarkflddsv
    plssgsfgdatgftvqdgqlvvalpdkstglanpgqfagytgaaesptsvllinhglhie
    ilidpesqvgttdragvkdvilesaittimdfedsvaavdaadkvlgyrnwlglnkgdla
    aavdkdgtaflrvlnrdrnytapgggqftlpgrslmfvrnvghlmtndaivdtdgsevfe
    gimdalftgliaihglkasdvngplinsrtgsiyivkpkmhgpaevaftcelfsrvedvl
    glpqntmkigimdeerrttvnlkacikaaadrvvfintgfldrtgdeihtsmeagpmvrk
    gtmksqpwilayedhnvdaglaagfsgraqvgkgmwtmtelmadmvetkiaqpragasta
    wvpsptaatlhalhyhqvdvaavqqglagkrratieqlltiplakelawapdeireevdn
    ncqsilgyvvrwvdqgvgaskvpdihdvalmedratlrissqllanwlrhgvitsadvra
    slermaplvdrqnagdvayrpmapnfddsiaflaaqelilsgaqqpngytepilhrrrre
    fkaraaekpapsdragddaar
    

    Sequence, based on observed residues (ATOM records): (download)
    >3s9iA (A:)
    tdrvsvgnlriarvlydfvnnealpgtdidpdsfwagvdkvvadltpqnqallnardelq
    aqidkwhrrrviepidmdayrqflteigyllpepddftittsgvdaeitttagpqlvvpv
    lnarfalnaanarwgslydalygtdvipetdgaekgptynkvrgdkviayarkflddsvp
    lssgsfgdatgftvqdgqlvvalpdkstglanpgqfagytgaaesptsvllinhglhiei
    lidpesqvgttdragvkdvilesaittimdfedsvaavdaadkvlgyrnwlglnkgdlaa
    lrvlnrdrnytapgggqftlpgrslmfvrnvghlmtndaivdtdgsevfegimdalftgl
    iaihglkasdgplinsrtgsiyivkpkmhgpaevaftcelfsrvedvlglpqntmkigim
    deerrttvnlkacikaaadrvvfintgfldrtgdeihtsmeagpmvrkgtmksqpwilay
    edhnvdaglaagfsgraqvgkgmwtmtelmadmvetkiaqpragastawvpsptaatlha
    lhyhqvdvaavqqglagkrratieqlltiplakelawapdeireevdnncqsilgyvvrw
    vdqgvgaskvpdihdvalmedratlrissqllanwlrhgvitsadvraslermaplvdrq
    nadvayrpmapnfddsiaflaaqelilsgaqqpngytepilhrrrrefkaraae