PDB entry 3t8a

View 3t8a on RCSB PDB site
Description: Crystal structure of Mycobacterium tuberculosis MenB in complex with substrate analogue, OSB-NCoA
Class: lyase/lyase inhibitor
Keywords: crotonase superfamily, LYASE-LYASE INHIBITOR complex
Deposited on 2011-08-01, released 2011-08-24
The last revision prior to the SCOPe 2.05 freeze date was dated 2011-11-16, with a file datestamp of 2011-11-11.
Experiment type: XRAY
Resolution: 2.25 Å
R-factor: 0.197
AEROSPACI score: 0.39 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: 1,4-Dihydroxy-2-naphthoyl-CoA synthase
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: Rv0548c
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d3t8aa_
  • Chain 'B':
    Compound: 1,4-Dihydroxy-2-naphthoyl-CoA synthase
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: Rv0548c
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d3t8ab_
  • Chain 'C':
    Compound: 1,4-Dihydroxy-2-naphthoyl-CoA synthase
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: Rv0548c
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d3t8ac_
  • Heterogens: S0N, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3t8aA (A:)
    mgsshhhhhhssglvprgshmvapageqgrsstalsdnpfdakawrlvdgfddltdityh
    rhvddatvrvafnrpevrnafrphtvdelyrvldharmspdvgvvlltgngpspkdggwa
    fcsggdqrirgrsgyqyasgdtadtvdvaragrlhilevqrlirfmpkvviclvngwaag
    gghslhvvcdltlasreyarfkqtdadvgsfdggygsaylarqvgqkfareifflgrtyt
    aeqmhqmgavnavaehaeletvglqwaaeinakspqaqrmlkfafnllddglvgqqlfag
    eatrlaymtdeavegrdaflqkrppdwspfpryf
    

    Sequence, based on observed residues (ATOM records): (download)
    >3t8aA (A:)
    dnpfdakawrlvdgfddltdityhrhvddatvrvafnrpevrnafrphtvdelyrvldha
    rmspdvgvvlltgngpspkdggwafcsggdrlhilevqrlirfmpkvviclvngwaaggg
    hslhvvcdltlasreyarfkqtdadvgsfdggygsaylarqvgqkfareifflgrtytae
    qmhqmgavnavaehaeletvglqwaaeinakspqaqrmlkfafnllddglvgqqlfagea
    trlaymtdeaveg
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3t8aB (B:)
    mgsshhhhhhssglvprgshmvapageqgrsstalsdnpfdakawrlvdgfddltdityh
    rhvddatvrvafnrpevrnafrphtvdelyrvldharmspdvgvvlltgngpspkdggwa
    fcsggdqrirgrsgyqyasgdtadtvdvaragrlhilevqrlirfmpkvviclvngwaag
    gghslhvvcdltlasreyarfkqtdadvgsfdggygsaylarqvgqkfareifflgrtyt
    aeqmhqmgavnavaehaeletvglqwaaeinakspqaqrmlkfafnllddglvgqqlfag
    eatrlaymtdeavegrdaflqkrppdwspfpryf
    

    Sequence, based on observed residues (ATOM records): (download)
    >3t8aB (B:)
    lsdnpfdakawrlvdgfddltdityhrhvddatvrvafnrpevrnafrphtvdelyrvld
    harmspdvgvvlltgngpspkdggwafcsggdqrrlhilevqrlirfmpkvviclvngwa
    aggghslhvvcdltlasreyarfkqtdadvgsfdggygsaylarqvgqkfareifflgrt
    ytaeqmhqmgavnavaehaeletvglqwaaeinakspqaqrmlkfafnllddglvgqqlf
    ageatrlaymtdeavegrdaflrppdwspfpryf
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3t8aC (C:)
    mgsshhhhhhssglvprgshmvapageqgrsstalsdnpfdakawrlvdgfddltdityh
    rhvddatvrvafnrpevrnafrphtvdelyrvldharmspdvgvvlltgngpspkdggwa
    fcsggdqrirgrsgyqyasgdtadtvdvaragrlhilevqrlirfmpkvviclvngwaag
    gghslhvvcdltlasreyarfkqtdadvgsfdggygsaylarqvgqkfareifflgrtyt
    aeqmhqmgavnavaehaeletvglqwaaeinakspqaqrmlkfafnllddglvgqqlfag
    eatrlaymtdeavegrdaflqkrppdwspfpryf
    

    Sequence, based on observed residues (ATOM records): (download)
    >3t8aC (C:)
    sdnpfdakawrlvdgfddltdityhrhvddatvrvafnrpevrnafrphtvdelyrvldh
    armspdvgvvlltgngpspkdggwafcsggdqrlhilevqrlirfmpkvviclvngwaag
    gghslhvvcdltlasreyarfkqtdadvgsfdggygsaylarqvgqkfareifflgrtyt
    aeqmhqmgavnavaehaeletvglqwaaeinakspqaqrmlkfafnllddglvgqqlfag
    eatrlaymtd