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 2.06 freeze date was dated 2013-02-20, with a file datestamp of 2013-02-15.
Experiment type: XRAY
Resolution: 1.9 Å
R-factor: 0.17
AEROSPACI score: 0.5 (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 2.06: 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