PDB entry 4qii

View 4qii on RCSB PDB site
Description: Crystal Structure of type II MenB from Mycobacteria tuberculosis
Class: lyase
Keywords: 1,4-dihydroxy-2-naphthoyl-coenzyme A, synthase, 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: 1.64 Å
R-factor: 0.152
AEROSPACI score: 0.52 (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: d4qiia_
  • 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: d4qiib_
  • 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: d4qiic_
  • 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: d4qiid_
  • 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: d4qiie_
  • 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: d4qiif_
  • 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: d4qiig_
  • 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: d4qiih_
  • 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: d4qiii_
  • 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: d4qiij_
  • 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: d4qiik_
  • 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: d4qiil_
  • Heterogens: 2NE, PGE, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download)
    >4qiiA (A:)
    lsdnpfdakawrlvdgfddltdityhrhvddatvrvafnrpevrnafrphtvdelyrvld
    harmspdvgvvlltgngpspkdggwafcsggdqrirgrsgyqyasgdtadtvdvaragrl
    hilevqrlirfmpkvviclvngwaaggghslhvvcdltlasreyarfkqtdadvgsfdgg
    ygsaylarqvgqkfareifflgrtytaeqmhqmgavnavaehaeletvglqwaaeinaks
    pqaqrmlkfafnllddglvgqqlfageatrlaymtdeavegrdaflqkrppdwspfpryf
    

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

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

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

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

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

    Sequence, based on observed residues (ATOM records): (download)
    >4qiiD (D:)
    sdnpfdakawrlvdgfddltdityhrhvddatvrvafnrpevrnafrphtvdelyrvldh
    armspdvgvvlltgngpspkdggwafcsggdqrirgrsgyqyasgdtadtvdvaragrlh
    ilevqrlirfmpkvviclvngwaaggghslhvvcdltlasreyarfkqtdadvgsfdggy
    gsaylarqvgqkfareifflgrtytaeqmhqmgavnavaehaeletvglqwaaeinaksp
    qaqrmlkfafnllddglvgqqlfageatrlaymtdeavegrdaflqkrppdwspfpryf
    

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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