PDB entry 3sad

View 3sad on RCSB PDB site
Description: Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 4-(2-mehtylphenyl)-2,4-dioxobutanoic 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 2011-06-02, 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: 1.82 Å
R-factor: 0.173
AEROSPACI score: 0.52 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: malate synthase g
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: glcB, Rv1837c, MT1885, MTCY1A11.06
    Database cross-references and differences (RAF-indexed):
    • Uniprot P0A5J4
      • engineered mutation (618)
    Domains in SCOPe 2.06: d3sada_
  • Heterogens: MG, 040, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download) 
    >3sadA (A:)
tdrvsvgnlriarvlydfvnnealpgtdidpdsfwagvdkvvadltpqnqallnardelq
aqidkwhrrrvidmdayrqflteigyllpepddftittsgvdaeitttagpqlvvpvlna
rfalnaanarwgslydalygtdvipetdgaekgptynkvrgdkviayarkflddsvplss
gsfgdatgftvqdgqlvvalpdkstglanpgqfagytgaaesptsvllinhglhieilid
pesqvgttdragvkdvilesaittimdfedsvaavdaadkvlgyrnwlglnkgdlaalrv
lnrdrnytapgggqftlpgrslmfvrnvghlmtndaivdtdgsevfegimdalftgliai
hglkasdvlinsrtgsiyivkpkmhgpaevaftcelfsrvedvlglpqntmkigimdeer
rttvnlkacikaaadrvvfintgfldrtgdeihtsmeagpmvrkgtmksqpwilayedhn
vdaglaagfsgraqvgkgmwtmtelmadmvetkiaqpragastawvpsptaatlhalhyh
qvdvaavqqglagkrratieqlltiplakelawapdeireevdnncqsilgyvvrwvdqg
vgaskvpdihdvalmedratlrissqllanwlrhgvitsadvraslermaplvdrqndva
yrpmapnfddsiaflaaqelilsgaqqpngytepilhrrrrefkaraae