PDB entry 4qij

View 4qij on RCSB PDB site
Description: Crystal structure of MenB from Mycobacteria tuberculosis in complex with 1-HNA-CoA
Class: lyase
Keywords: 1,4-dihydroxy-2-naphthoyl-coenzyme A synthase, MenB, 1-HNA-CoA, Lyase
Deposited on 2014-05-31, released 2014-11-19
The last revision prior to the SCOPe 2.06 freeze date was dated 2014-11-19, with a file datestamp of 2014-11-14.
Experiment type: XRAY
Resolution: 2.2 Å
R-factor: 0.13
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 H37RV [TaxId:83332]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4qija_
  • Chain 'B':
    Compound: 1,4-Dihydroxy-2-naphthoyl-CoA synthase
    Species: MYCOBACTERIUM TUBERCULOSIS H37RV [TaxId:83332]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4qijb_
  • Chain 'C':
    Compound: 1,4-Dihydroxy-2-naphthoyl-CoA synthase
    Species: MYCOBACTERIUM TUBERCULOSIS H37RV [TaxId:83332]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4qijc_
  • Chain 'D':
    Compound: 1,4-Dihydroxy-2-naphthoyl-CoA synthase
    Species: MYCOBACTERIUM TUBERCULOSIS H37RV [TaxId:83332]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4qijd_
  • Chain 'E':
    Compound: 1,4-Dihydroxy-2-naphthoyl-CoA synthase
    Species: MYCOBACTERIUM TUBERCULOSIS H37RV [TaxId:83332]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4qije_
  • Chain 'F':
    Compound: 1,4-Dihydroxy-2-naphthoyl-CoA synthase
    Species: MYCOBACTERIUM TUBERCULOSIS H37RV [TaxId:83332]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4qijf_
  • Chain 'G':
    Compound: 1,4-Dihydroxy-2-naphthoyl-CoA synthase
    Species: MYCOBACTERIUM TUBERCULOSIS H37RV [TaxId:83332]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4qijg_
  • Chain 'H':
    Compound: 1,4-Dihydroxy-2-naphthoyl-CoA synthase
    Species: MYCOBACTERIUM TUBERCULOSIS H37RV [TaxId:83332]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4qijh_
  • Chain 'I':
    Compound: 1,4-Dihydroxy-2-naphthoyl-CoA synthase
    Species: MYCOBACTERIUM TUBERCULOSIS H37RV [TaxId:83332]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4qiji_
  • Chain 'J':
    Compound: 1,4-Dihydroxy-2-naphthoyl-CoA synthase
    Species: MYCOBACTERIUM TUBERCULOSIS H37RV [TaxId:83332]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4qijj_
  • Chain 'K':
    Compound: 1,4-Dihydroxy-2-naphthoyl-CoA synthase
    Species: MYCOBACTERIUM TUBERCULOSIS H37RV [TaxId:83332]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4qijk_
  • Chain 'L':
    Compound: 1,4-Dihydroxy-2-naphthoyl-CoA synthase
    Species: MYCOBACTERIUM TUBERCULOSIS H37RV [TaxId:83332]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4qijl_
  • Heterogens: 1HA, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4qijA (A:)
    mgsshhhhhhssglvprgshmvapageqgrsstalsdnpfdakawrlvdgfddltdityh
    rhvddatvrvafnrpevrnafrphtvdelyrvldharmspdvgvvlltgngpspkdggwa
    fcsggdqrirgrsgyqyasgdtadtvdvaragrlhilevqrlirfmpkvviclvngwaag
    gghslhvvcdltlasreyarfkqtdadvgsfdggygsaylarqvgqkfareifflgrtyt
    aeqmhqmgavnavaehaeletvglqwaaeinakspqaqrmlkfafnllddglvgqqlfag
    eatrlaymtdeavegrdaflqkrppdwspfpryf
    

    Sequence, based on observed residues (ATOM records): (download)
    >4qijA (A:)
    alsdnpfdakawrlvdgfddltdityhrhvddatvrvafnrpevrnafrphtvdelyrvl
    dharmspdvgvvlltgngpspkdggwafcsggdqrirgrsgyqyasgdtadtvdvaragr
    lhilevqrlirfmpkvviclvngwaaggghslhvvcdltlasreyarfkqtdadvgsfdg
    gygsaylarqvgqkfareifflgrtytaeqmhqmgavnavaehaeletvglqwaaeinak
    spqaqrmlkfafnllddglvgqqlfageatrlaymtdeavegrdaflqkrppdwspfpry
    f
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4qijB (B:)
    mgsshhhhhhssglvprgshmvapageqgrsstalsdnpfdakawrlvdgfddltdityh
    rhvddatvrvafnrpevrnafrphtvdelyrvldharmspdvgvvlltgngpspkdggwa
    fcsggdqrirgrsgyqyasgdtadtvdvaragrlhilevqrlirfmpkvviclvngwaag
    gghslhvvcdltlasreyarfkqtdadvgsfdggygsaylarqvgqkfareifflgrtyt
    aeqmhqmgavnavaehaeletvglqwaaeinakspqaqrmlkfafnllddglvgqqlfag
    eatrlaymtdeavegrdaflqkrppdwspfpryf
    

    Sequence, based on observed residues (ATOM records): (download)
    >4qijB (B:)
    alsdnpfdakawrlvdgfddltdityhrhvddatvrvafnrpevrnafrphtvdelyrvl
    dharmspdvgvvlltgngpspkdggwafcsggdqrirgrsgyqyasgdtadtvdvaragr
    lhilevqrlirfmpkvviclvngwaaggghslhvvcdltlasreyarfkqtdadvgsfdg
    gygsaylarqvgqkfareifflgrtytaeqmhqmgavnavaehaeletvglqwaaeinak
    spqaqrmlkfafnllddglvgqqlfageatrlaymtdeavegrdaflqkrppdwspfpry
    f
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >4qijC (C:)
    mgsshhhhhhssglvprgshmvapageqgrsstalsdnpfdakawrlvdgfddltdityh
    rhvddatvrvafnrpevrnafrphtvdelyrvldharmspdvgvvlltgngpspkdggwa
    fcsggdqrirgrsgyqyasgdtadtvdvaragrlhilevqrlirfmpkvviclvngwaag
    gghslhvvcdltlasreyarfkqtdadvgsfdggygsaylarqvgqkfareifflgrtyt
    aeqmhqmgavnavaehaeletvglqwaaeinakspqaqrmlkfafnllddglvgqqlfag
    eatrlaymtdeavegrdaflqkrppdwspfpryf
    

    Sequence, based on observed residues (ATOM records): (download)
    >4qijC (C:)
    alsdnpfdakawrlvdgfddltdityhrhvddatvrvafnrpevrnafrphtvdelyrvl
    dharmspdvgvvlltgngpspkdggwafcsggdqrirgrsgyqyasgdtadtvdvaragr
    lhilevqrlirfmpkvviclvngwaaggghslhvvcdltlasreyarfkqtdadvgsfdg
    gygsaylarqvgqkfareifflgrtytaeqmhqmgavnavaehaeletvglqwaaeinak
    spqaqrmlkfafnllddglvgqqlfageatrlaymtdeavegrdaflqkrppdwspfpry
    f
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >4qijD (D:)
    mgsshhhhhhssglvprgshmvapageqgrsstalsdnpfdakawrlvdgfddltdityh
    rhvddatvrvafnrpevrnafrphtvdelyrvldharmspdvgvvlltgngpspkdggwa
    fcsggdqrirgrsgyqyasgdtadtvdvaragrlhilevqrlirfmpkvviclvngwaag
    gghslhvvcdltlasreyarfkqtdadvgsfdggygsaylarqvgqkfareifflgrtyt
    aeqmhqmgavnavaehaeletvglqwaaeinakspqaqrmlkfafnllddglvgqqlfag
    eatrlaymtdeavegrdaflqkrppdwspfpryf
    

    Sequence, based on observed residues (ATOM records): (download)
    >4qijD (D:)
    npfdakawrlvdgfddltdityhrhvddatvrvafnrpevrnafrphtvdelyrvldhar
    mspdvgvvlltgngpspkdggwafcsggdqrirgrsgyqyasgdtadtvdvaragrlhil
    evqrlirfmpkvviclvngwaaggghslhvvcdltlasreyarfkqtdadvgsfdggygs
    aylarqvgqkfareifflgrtytaeqmhqmgavnavaehaeletvglqwaaeinakspqa
    qrmlkfafnllddglvgqqlfageatrlaymtdeavegrdaflqkrppdwspfpryf
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >4qijE (E:)
    mgsshhhhhhssglvprgshmvapageqgrsstalsdnpfdakawrlvdgfddltdityh
    rhvddatvrvafnrpevrnafrphtvdelyrvldharmspdvgvvlltgngpspkdggwa
    fcsggdqrirgrsgyqyasgdtadtvdvaragrlhilevqrlirfmpkvviclvngwaag
    gghslhvvcdltlasreyarfkqtdadvgsfdggygsaylarqvgqkfareifflgrtyt
    aeqmhqmgavnavaehaeletvglqwaaeinakspqaqrmlkfafnllddglvgqqlfag
    eatrlaymtdeavegrdaflqkrppdwspfpryf
    

    Sequence, based on observed residues (ATOM records): (download)
    >4qijE (E:)
    dnpfdakawrlvdgfddltdityhrhvddatvrvafnrpevrnafrphtvdelyrvldha
    rmspdvgvvlltgngpspkdggwafcsggdqrirgrsgyqyasgdtadtvdvaragrlhi
    levqrlirfmpkvviclvngwaaggghslhvvcdltlasreyarfkqtdadvgsfdggyg
    saylarqvgqkfareifflgrtytaeqmhqmgavnavaehaeletvglqwaaeinakspq
    aqrmlkfafnllddglvgqqlfageatrlaymtdeavegrdaflqkrppdwspfpryf
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >4qijF (F:)
    mgsshhhhhhssglvprgshmvapageqgrsstalsdnpfdakawrlvdgfddltdityh
    rhvddatvrvafnrpevrnafrphtvdelyrvldharmspdvgvvlltgngpspkdggwa
    fcsggdqrirgrsgyqyasgdtadtvdvaragrlhilevqrlirfmpkvviclvngwaag
    gghslhvvcdltlasreyarfkqtdadvgsfdggygsaylarqvgqkfareifflgrtyt
    aeqmhqmgavnavaehaeletvglqwaaeinakspqaqrmlkfafnllddglvgqqlfag
    eatrlaymtdeavegrdaflqkrppdwspfpryf
    

    Sequence, based on observed residues (ATOM records): (download)
    >4qijF (F:)
    dnpfdakawrlvdgfddltdityhrhvddatvrvafnrpevrnafrphtvdelyrvldha
    rmspdvgvvlltgngpspkdggwafcsggdqrirgrsgyqyasgdtadtvdvaragrlhi
    levqrlirfmpkvviclvngwaaggghslhvvcdltlasreyarfkqtdadvgsfdggyg
    saylarqvgqkfareifflgrtytaeqmhqmgavnavaehaeletvglqwaaeinakspq
    aqrmlkfafnllddglvgqqlfageatrlaymtdeavegrdaflqkrppdwspfpryf
    

  • Chain 'G':
    Sequence, based on SEQRES records: (download)
    >4qijG (G:)
    mgsshhhhhhssglvprgshmvapageqgrsstalsdnpfdakawrlvdgfddltdityh
    rhvddatvrvafnrpevrnafrphtvdelyrvldharmspdvgvvlltgngpspkdggwa
    fcsggdqrirgrsgyqyasgdtadtvdvaragrlhilevqrlirfmpkvviclvngwaag
    gghslhvvcdltlasreyarfkqtdadvgsfdggygsaylarqvgqkfareifflgrtyt
    aeqmhqmgavnavaehaeletvglqwaaeinakspqaqrmlkfafnllddglvgqqlfag
    eatrlaymtdeavegrdaflqkrppdwspfpryf
    

    Sequence, based on observed residues (ATOM records): (download)
    >4qijG (G:)
    npfdakawrlvdgfddltdityhrhvddatvrvafnrpevrnafrphtvdelyrvldhar
    mspdvgvvlltgngpspkdggwafcsggdqrirgrsgyqyasgdtadtvdvaragrlhil
    evqrlirfmpkvviclvngwaaggghslhvvcdltlasreyarfkqtdadvgsfdggygs
    aylarqvgqkfareifflgrtytaeqmhqmgavnavaehaeletvglqwaaeinakspqa
    qrmlkfafnllddglvgqqlfageatrlaymtdeavegrdaflqkrppdwspfpryf
    

  • Chain 'H':
    Sequence, based on SEQRES records: (download)
    >4qijH (H:)
    mgsshhhhhhssglvprgshmvapageqgrsstalsdnpfdakawrlvdgfddltdityh
    rhvddatvrvafnrpevrnafrphtvdelyrvldharmspdvgvvlltgngpspkdggwa
    fcsggdqrirgrsgyqyasgdtadtvdvaragrlhilevqrlirfmpkvviclvngwaag
    gghslhvvcdltlasreyarfkqtdadvgsfdggygsaylarqvgqkfareifflgrtyt
    aeqmhqmgavnavaehaeletvglqwaaeinakspqaqrmlkfafnllddglvgqqlfag
    eatrlaymtdeavegrdaflqkrppdwspfpryf
    

    Sequence, based on observed residues (ATOM records): (download)
    >4qijH (H:)
    dnpfdakawrlvdgfddltdityhrhvddatvrvafnrpevrnafrphtvdelyrvldha
    rmspdvgvvlltgngpspkdggwafcsggdqrirgrsgyqyasgdtadtvdvaragrlhi
    levqrlirfmpkvviclvngwaaggghslhvvcdltlasreyarfkqtdadvgsfdggyg
    saylarqvgqkfareifflgrtytaeqmhqmgavnavaehaeletvglqwaaeinakspq
    aqrmlkfafnllddglvgqqlfageatrlaymtdeavegrdaflqkrppdwspfpryf
    

  • Chain 'I':
    Sequence, based on SEQRES records: (download)
    >4qijI (I:)
    mgsshhhhhhssglvprgshmvapageqgrsstalsdnpfdakawrlvdgfddltdityh
    rhvddatvrvafnrpevrnafrphtvdelyrvldharmspdvgvvlltgngpspkdggwa
    fcsggdqrirgrsgyqyasgdtadtvdvaragrlhilevqrlirfmpkvviclvngwaag
    gghslhvvcdltlasreyarfkqtdadvgsfdggygsaylarqvgqkfareifflgrtyt
    aeqmhqmgavnavaehaeletvglqwaaeinakspqaqrmlkfafnllddglvgqqlfag
    eatrlaymtdeavegrdaflqkrppdwspfpryf
    

    Sequence, based on observed residues (ATOM records): (download)
    >4qijI (I:)
    dnpfdakawrlvdgfddltdityhrhvddatvrvafnrpevrnafrphtvdelyrvldha
    rmspdvgvvlltgngpspkdggwafcsggdqrirgrsgyqyasgdtadtvdvaragrlhi
    levqrlirfmpkvviclvngwaaggghslhvvcdltlasreyarfkqtdadvgsfdggyg
    saylarqvgqkfareifflgrtytaeqmhqmgavnavaehaeletvglqwaaeinakspq
    aqrmlkfafnllddglvgqqlfageatrlaymtdeavegrdaflqkrppdwspfpryf
    

  • Chain 'J':
    Sequence, based on SEQRES records: (download)
    >4qijJ (J:)
    mgsshhhhhhssglvprgshmvapageqgrsstalsdnpfdakawrlvdgfddltdityh
    rhvddatvrvafnrpevrnafrphtvdelyrvldharmspdvgvvlltgngpspkdggwa
    fcsggdqrirgrsgyqyasgdtadtvdvaragrlhilevqrlirfmpkvviclvngwaag
    gghslhvvcdltlasreyarfkqtdadvgsfdggygsaylarqvgqkfareifflgrtyt
    aeqmhqmgavnavaehaeletvglqwaaeinakspqaqrmlkfafnllddglvgqqlfag
    eatrlaymtdeavegrdaflqkrppdwspfpryf
    

    Sequence, based on observed residues (ATOM records): (download)
    >4qijJ (J:)
    alsdnpfdakawrlvdgfddltdityhrhvddatvrvafnrpevrnafrphtvdelyrvl
    dharmspdvgvvlltgngpspkdggwafcsggdqrirgrsgyqyasgdtadtvdvaragr
    lhilevqrlirfmpkvviclvngwaaggghslhvvcdltlasreyarfkqtdadvgsfdg
    gygsaylarqvgqkfareifflgrtytaeqmhqmgavnavaehaeletvglqwaaeinak
    spqaqrmlkfafnllddglvgqqlfageatrlaymtdeavegrdaflqkrppdwspfpry
    f
    

  • Chain 'K':
    Sequence, based on SEQRES records: (download)
    >4qijK (K:)
    mgsshhhhhhssglvprgshmvapageqgrsstalsdnpfdakawrlvdgfddltdityh
    rhvddatvrvafnrpevrnafrphtvdelyrvldharmspdvgvvlltgngpspkdggwa
    fcsggdqrirgrsgyqyasgdtadtvdvaragrlhilevqrlirfmpkvviclvngwaag
    gghslhvvcdltlasreyarfkqtdadvgsfdggygsaylarqvgqkfareifflgrtyt
    aeqmhqmgavnavaehaeletvglqwaaeinakspqaqrmlkfafnllddglvgqqlfag
    eatrlaymtdeavegrdaflqkrppdwspfpryf
    

    Sequence, based on observed residues (ATOM records): (download)
    >4qijK (K:)
    alsdnpfdakawrlvdgfddltdityhrhvddatvrvafnrpevrnafrphtvdelyrvl
    dharmspdvgvvlltgngpspkdggwafcsggdqrirgrsgyqyasgdtadtvdvaragr
    lhilevqrlirfmpkvviclvngwaaggghslhvvcdltlasreyarfkqtdadvgsfdg
    gygsaylarqvgqkfareifflgrtytaeqmhqmgavnavaehaeletvglqwaaeinak
    spqaqrmlkfafnllddglvgqqlfageatrlaymtdeavegrdaflqkrppdwspfpry
    f
    

  • Chain 'L':
    Sequence, based on SEQRES records: (download)
    >4qijL (L:)
    mgsshhhhhhssglvprgshmvapageqgrsstalsdnpfdakawrlvdgfddltdityh
    rhvddatvrvafnrpevrnafrphtvdelyrvldharmspdvgvvlltgngpspkdggwa
    fcsggdqrirgrsgyqyasgdtadtvdvaragrlhilevqrlirfmpkvviclvngwaag
    gghslhvvcdltlasreyarfkqtdadvgsfdggygsaylarqvgqkfareifflgrtyt
    aeqmhqmgavnavaehaeletvglqwaaeinakspqaqrmlkfafnllddglvgqqlfag
    eatrlaymtdeavegrdaflqkrppdwspfpryf
    

    Sequence, based on observed residues (ATOM records): (download)
    >4qijL (L:)
    alsdnpfdakawrlvdgfddltdityhrhvddatvrvafnrpevrnafrphtvdelyrvl
    dharmspdvgvvlltgngpspkdggwafcsggdqrirgrsgyqyasgdtadtvdvaragr
    lhilevqrlirfmpkvviclvngwaaggghslhvvcdltlasreyarfkqtdadvgsfdg
    gygsaylarqvgqkfareifflgrtytaeqmhqmgavnavaehaeletvglqwaaeinak
    spqaqrmlkfafnllddglvgqqlfageatrlaymtdeavegrdaflqkrppdwspfpry
    f