PDB entry 4b0j

View 4b0j on RCSB PDB site
Description: Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas aeruginosa in complex with 5-(2- thienyl)-3-isoxazolyl methanol
Class: lyase
Keywords: lyase, fatty acid biosynthesis, bacterial virulence, drug discovery
Deposited on 2012-07-02, released 2012-11-28
The last revision prior to the SCOPe 2.05 freeze date was dated 2013-09-04, with a file datestamp of 2013-08-30.
Experiment type: XRAY
Resolution: 2.5 Å
R-factor: 0.23456
AEROSPACI score: 0.31 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase
    Species: Pseudomonas aeruginosa [TaxId:208964]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d4b0ja_
  • Chain 'B':
    Compound: 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase
    Species: Pseudomonas aeruginosa [TaxId:208964]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d4b0jb_
  • Chain 'C':
    Compound: 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase
    Species: Pseudomonas aeruginosa [TaxId:208964]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d4b0jc_
  • Chain 'D':
    Compound: 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase
    Species: Pseudomonas aeruginosa [TaxId:208964]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d4b0jd_
  • Chain 'E':
    Compound: 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase
    Species: Pseudomonas aeruginosa [TaxId:208964]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d4b0je_
  • Chain 'F':
    Compound: 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase
    Species: Pseudomonas aeruginosa [TaxId:208964]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d4b0jf_
  • Chain 'G':
    Compound: 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase
    Species: Pseudomonas aeruginosa [TaxId:208964]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d4b0jg_
  • Chain 'H':
    Compound: 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase
    Species: Pseudomonas aeruginosa [TaxId:208964]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d4b0jh_
  • Chain 'I':
    Compound: 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase
    Species: Pseudomonas aeruginosa [TaxId:208964]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d4b0ji_
  • Chain 'J':
    Compound: 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase
    Species: Pseudomonas aeruginosa [TaxId:208964]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d4b0jj_
  • Chain 'K':
    Compound: 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase
    Species: Pseudomonas aeruginosa [TaxId:208964]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d4b0jk_
  • Chain 'L':
    Compound: 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase
    Species: Pseudomonas aeruginosa [TaxId:208964]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d4b0jl_
  • Chain 'M':
    Compound: 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase
    Species: Pseudomonas aeruginosa [TaxId:208964]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d4b0jm_
  • Chain 'N':
    Compound: 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase
    Species: Pseudomonas aeruginosa [TaxId:208964]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d4b0jn_
  • Chain 'O':
    Compound: 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase
    Species: Pseudomonas aeruginosa [TaxId:208964]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d4b0jo_
  • Chain 'P':
    Compound: 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase
    Species: Pseudomonas aeruginosa [TaxId:208964]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d4b0jp_
  • Chain 'Q':
    Compound: 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase
    Species: Pseudomonas aeruginosa [TaxId:208964]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d4b0jq_
  • Chain 'R':
    Compound: 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase
    Species: Pseudomonas aeruginosa [TaxId:208964]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d4b0jr_
  • Chain 'S':
    Compound: 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase
    Species: Pseudomonas aeruginosa [TaxId:208964]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d4b0js_
  • Chain 'T':
    Compound: 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase
    Species: Pseudomonas aeruginosa [TaxId:208964]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d4b0jt_
  • Heterogens: 3MQ, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4b0jA (A:)
    mtkqhaftredllrcsrgelfgpgnaqlpapnmlmidrivhisdvggkygkgelvaeldi
    npdlwffachfegdpvmpgclgldamwqlvgfylgwqgnpgrgralgsgevkffgqvlpt
    akkvtynihikrtinrslvlaiadgtvsvdgreiysaeglrvglftstdsf
    

    Sequence, based on observed residues (ATOM records): (download)
    >4b0jA (A:)
    tkqhaftredllrcsrgelfgpgnaqlpapnmlmidrivhisdvggkygkgelvaeldin
    pdlwffachfegdpvmpgclgldamwqlvgfylgwqgnpgrgralgsgevkffgqvlpta
    kkvtynihikrtilvlaiadgtvsvdgreiysaeglrvglftstdsf
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4b0jB (B:)
    mtkqhaftredllrcsrgelfgpgnaqlpapnmlmidrivhisdvggkygkgelvaeldi
    npdlwffachfegdpvmpgclgldamwqlvgfylgwqgnpgrgralgsgevkffgqvlpt
    akkvtynihikrtinrslvlaiadgtvsvdgreiysaeglrvglftstdsf
    

    Sequence, based on observed residues (ATOM records): (download)
    >4b0jB (B:)
    tkqhaftredllrcsrgelfgpgnaqlpapnmlmidrivhisdvggkygkgelvaeldin
    pdlwffachfegdpvmpgclgldamwqlvgfylgwqgnpgrgralgsgevkffgqvlpta
    kkvtynihikrtinrslvlaiadgtvsvdgreiysaeglrvglftstdsf
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >4b0jC (C:)
    mtkqhaftredllrcsrgelfgpgnaqlpapnmlmidrivhisdvggkygkgelvaeldi
    npdlwffachfegdpvmpgclgldamwqlvgfylgwqgnpgrgralgsgevkffgqvlpt
    akkvtynihikrtinrslvlaiadgtvsvdgreiysaeglrvglftstdsf
    

    Sequence, based on observed residues (ATOM records): (download)
    >4b0jC (C:)
    tkqhaftredllrcsrgelfgpgnaqlpapnmlmidrivhisdvggkygkgelvaeldin
    pdlwffachfegdpvmpgclgldamwqlvgfylgwqgnpgrgralgsgevkffgqvlpta
    kkvtynihikrtinlvlaiadgtvsvdgreiysaeglrvglftstdsf
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >4b0jD (D:)
    mtkqhaftredllrcsrgelfgpgnaqlpapnmlmidrivhisdvggkygkgelvaeldi
    npdlwffachfegdpvmpgclgldamwqlvgfylgwqgnpgrgralgsgevkffgqvlpt
    akkvtynihikrtinrslvlaiadgtvsvdgreiysaeglrvglftstdsf
    

    Sequence, based on observed residues (ATOM records): (download)
    >4b0jD (D:)
    tkqhaftredllrcsrgelfgpgnaqlpapnmlmidrivhisdvggkygkgelvaeldin
    pdlwffachfegdpvmpgclgldamwqlvgfylgwqgnpgrgralgsgevkffgqvlpta
    kkvtynihikrtinrslvlaiadgtvsvdgreiysaeglrvglftstdsf
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >4b0jE (E:)
    mtkqhaftredllrcsrgelfgpgnaqlpapnmlmidrivhisdvggkygkgelvaeldi
    npdlwffachfegdpvmpgclgldamwqlvgfylgwqgnpgrgralgsgevkffgqvlpt
    akkvtynihikrtinrslvlaiadgtvsvdgreiysaeglrvglftstdsf
    

    Sequence, based on observed residues (ATOM records): (download)
    >4b0jE (E:)
    tkqhaftredllrcsrgelfgpgnaqlpapnmlmidrivhisdvggkygkgelvaeldin
    pdlwffachfegdpvmpgclgldamwqlvgfylgwqgnpgrgralgsgevkffgqvlpta
    kkvtynihikrtinlvlaiadgtvsvdgreiysaeglrvglftstdsf
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >4b0jF (F:)
    mtkqhaftredllrcsrgelfgpgnaqlpapnmlmidrivhisdvggkygkgelvaeldi
    npdlwffachfegdpvmpgclgldamwqlvgfylgwqgnpgrgralgsgevkffgqvlpt
    akkvtynihikrtinrslvlaiadgtvsvdgreiysaeglrvglftstdsf
    

    Sequence, based on observed residues (ATOM records): (download)
    >4b0jF (F:)
    tkqhaftredllrcsrgelfgpgnaqlpapnmlmidrivhisdvggkygkgelvaeldin
    pdlwffachfegdpvmpgclgldamwqlvgfylgwqgnpgrgralgsgevkffgqvlpta
    kkvtynihikrtinrlvlaiadgtvsvdgreiysaeglrvglftstdsf
    

  • Chain 'G':
    Sequence, based on SEQRES records: (download)
    >4b0jG (G:)
    mtkqhaftredllrcsrgelfgpgnaqlpapnmlmidrivhisdvggkygkgelvaeldi
    npdlwffachfegdpvmpgclgldamwqlvgfylgwqgnpgrgralgsgevkffgqvlpt
    akkvtynihikrtinrslvlaiadgtvsvdgreiysaeglrvglftstdsf
    

    Sequence, based on observed residues (ATOM records): (download)
    >4b0jG (G:)
    tkqhaftredllrcsrgelfgpgnaqlpapnmlmidrivhisdvggkygkgelvaeldin
    pdlwffachfegdpvmpgclgldamwqlvgfylgwqgnpgrgralgsgevkffgqvlpta
    kkvtynihikrtivlaiadgtvsvdgreiysaeglrvglftstdsf
    

  • Chain 'H':
    Sequence, based on SEQRES records: (download)
    >4b0jH (H:)
    mtkqhaftredllrcsrgelfgpgnaqlpapnmlmidrivhisdvggkygkgelvaeldi
    npdlwffachfegdpvmpgclgldamwqlvgfylgwqgnpgrgralgsgevkffgqvlpt
    akkvtynihikrtinrslvlaiadgtvsvdgreiysaeglrvglftstdsf
    

    Sequence, based on observed residues (ATOM records): (download)
    >4b0jH (H:)
    tkqhaftredllrcsrgelfgpgnaqlpapnmlmidrivhisdvggkygkgelvaeldin
    pdlwffachfegdpvmpgclgldamwqlvgfylgwqgnpgrgralgsgevkffgqvlpta
    kkvtynihikrtilvlaiadgtvsvdgreiysaeglrvglftstdsf
    

  • Chain 'I':
    Sequence, based on SEQRES records: (download)
    >4b0jI (I:)
    mtkqhaftredllrcsrgelfgpgnaqlpapnmlmidrivhisdvggkygkgelvaeldi
    npdlwffachfegdpvmpgclgldamwqlvgfylgwqgnpgrgralgsgevkffgqvlpt
    akkvtynihikrtinrslvlaiadgtvsvdgreiysaeglrvglftstdsf
    

    Sequence, based on observed residues (ATOM records): (download)
    >4b0jI (I:)
    tkqhaftredllrcsrgelfgpgnaqlpapnmlmidrivhisdvggkygkgelvaeldin
    pdlwffachfegdpvmpgclgldamwqlvgfylgwqgnpgrgralgsgevkffgqvlpta
    kkvtynihikrtinrlvlaiadgtvsvdgreiysaeglrvglftstdsf
    

  • Chain 'J':
    Sequence, based on SEQRES records: (download)
    >4b0jJ (J:)
    mtkqhaftredllrcsrgelfgpgnaqlpapnmlmidrivhisdvggkygkgelvaeldi
    npdlwffachfegdpvmpgclgldamwqlvgfylgwqgnpgrgralgsgevkffgqvlpt
    akkvtynihikrtinrslvlaiadgtvsvdgreiysaeglrvglftstdsf
    

    Sequence, based on observed residues (ATOM records): (download)
    >4b0jJ (J:)
    tkqhaftredllrcsrgelfgpgnaqlpapnmlmidrivhisdvggkygkgelvaeldin
    pdlwffachfegdpvmpgclgldamwqlvgfylgwqgnpgrgralgsgevkffgqvlpta
    kkvtynihikrtinlvlaiadgtvsvdgreiysaeglrvglftstdsf
    

  • Chain 'K':
    Sequence, based on SEQRES records: (download)
    >4b0jK (K:)
    mtkqhaftredllrcsrgelfgpgnaqlpapnmlmidrivhisdvggkygkgelvaeldi
    npdlwffachfegdpvmpgclgldamwqlvgfylgwqgnpgrgralgsgevkffgqvlpt
    akkvtynihikrtinrslvlaiadgtvsvdgreiysaeglrvglftstdsf
    

    Sequence, based on observed residues (ATOM records): (download)
    >4b0jK (K:)
    tkqhaftredllrcsrgelfgpgnaqlpapnmlmidrivhisdvggkygkgelvaeldin
    pdlwffachfegdpvmpgclgldamwqlvgfylgwqgnpgrgralgsgevkffgqvlpta
    kkvtynihikrtinrlvlaiadgtvsvdgreiysaeglrvglftstdsf
    

  • Chain 'L':
    Sequence, based on SEQRES records: (download)
    >4b0jL (L:)
    mtkqhaftredllrcsrgelfgpgnaqlpapnmlmidrivhisdvggkygkgelvaeldi
    npdlwffachfegdpvmpgclgldamwqlvgfylgwqgnpgrgralgsgevkffgqvlpt
    akkvtynihikrtinrslvlaiadgtvsvdgreiysaeglrvglftstdsf
    

    Sequence, based on observed residues (ATOM records): (download)
    >4b0jL (L:)
    tkqhaftredllrcsrgelfgpgnaqlpapnmlmidrivhisdvggkygkgelvaeldin
    pdlwffachfegdpvmpgclgldamwqlvgfylgwqgnpgrgralgsgevkffgqvlpta
    kkvtynihikrtinrslvlaiadgtvsvdgreiysaeglrvglftstdsf
    

  • Chain 'M':
    Sequence, based on SEQRES records: (download)
    >4b0jM (M:)
    mtkqhaftredllrcsrgelfgpgnaqlpapnmlmidrivhisdvggkygkgelvaeldi
    npdlwffachfegdpvmpgclgldamwqlvgfylgwqgnpgrgralgsgevkffgqvlpt
    akkvtynihikrtinrslvlaiadgtvsvdgreiysaeglrvglftstdsf
    

    Sequence, based on observed residues (ATOM records): (download)
    >4b0jM (M:)
    tkqhaftredllrcsrgelfgpgnaqlpapnmlmidrivhisdvggkygkgelvaeldin
    pdlwffachfegdpvmpgclgldamwqlvgfylgwqgnpgrgralgsgevkffgqvlpta
    kkvtynihikrtinlvlaiadgtvsvdgreiysaeglrvglftstdsf
    

  • Chain 'N':
    Sequence, based on SEQRES records: (download)
    >4b0jN (N:)
    mtkqhaftredllrcsrgelfgpgnaqlpapnmlmidrivhisdvggkygkgelvaeldi
    npdlwffachfegdpvmpgclgldamwqlvgfylgwqgnpgrgralgsgevkffgqvlpt
    akkvtynihikrtinrslvlaiadgtvsvdgreiysaeglrvglftstdsf
    

    Sequence, based on observed residues (ATOM records): (download)
    >4b0jN (N:)
    tkqhaftredllrcsrgelfgpgnaqlpapnmlmidrivhisdvggkygkgelvaeldin
    pdlwffachfegdpvmpgclgldamwqlvgfylgwqgnpgrgralgsgevkffgqvlpta
    kkvtynihikrtinrvlaiadgtvsvdgreiysaeglrvglftstdsf
    

  • Chain 'O':
    Sequence, based on SEQRES records: (download)
    >4b0jO (O:)
    mtkqhaftredllrcsrgelfgpgnaqlpapnmlmidrivhisdvggkygkgelvaeldi
    npdlwffachfegdpvmpgclgldamwqlvgfylgwqgnpgrgralgsgevkffgqvlpt
    akkvtynihikrtinrslvlaiadgtvsvdgreiysaeglrvglftstdsf
    

    Sequence, based on observed residues (ATOM records): (download)
    >4b0jO (O:)
    tkqhaftredllrcsrgelfgpgnaqlpapnmlmidrivhisdvggkygkgelvaeldin
    pdlwffachfegdpvmpgclgldamwqlvgfylgwqgnpgrgralgsgevkffgqvlpta
    kkvtynihikrtinrslvlaiadgtvsvdgreiysaeglrvglftstdsf
    

  • Chain 'P':
    Sequence, based on SEQRES records: (download)
    >4b0jP (P:)
    mtkqhaftredllrcsrgelfgpgnaqlpapnmlmidrivhisdvggkygkgelvaeldi
    npdlwffachfegdpvmpgclgldamwqlvgfylgwqgnpgrgralgsgevkffgqvlpt
    akkvtynihikrtinrslvlaiadgtvsvdgreiysaeglrvglftstdsf
    

    Sequence, based on observed residues (ATOM records): (download)
    >4b0jP (P:)
    tkqhaftredllrcsrgelfgpgnaqlpapnmlmidrivhisdvggkygkgelvaeldin
    pdlwffachfegdpvmpgclgldamwqlvgfylgwqgnpgrgralgsgevkffgqvlpta
    kkvtynihikrtinrslvlaiadgtvsvdgreiysaeglrvglftstdsf
    

  • Chain 'Q':
    Sequence, based on SEQRES records: (download)
    >4b0jQ (Q:)
    mtkqhaftredllrcsrgelfgpgnaqlpapnmlmidrivhisdvggkygkgelvaeldi
    npdlwffachfegdpvmpgclgldamwqlvgfylgwqgnpgrgralgsgevkffgqvlpt
    akkvtynihikrtinrslvlaiadgtvsvdgreiysaeglrvglftstdsf
    

    Sequence, based on observed residues (ATOM records): (download)
    >4b0jQ (Q:)
    tkqhaftredllrcsrgelfgpgnaqlpapnmlmidrivhisdvggkygkgelvaeldin
    pdlwffachfegdpvmpgclgldamwqlvgfylgwqgnpgrgralgsgevkffgqvlpta
    kkvtynihikrtinlvlaiadgtvsvdgreiysaeglrvglftstdsf
    

  • Chain 'R':
    Sequence, based on SEQRES records: (download)
    >4b0jR (R:)
    mtkqhaftredllrcsrgelfgpgnaqlpapnmlmidrivhisdvggkygkgelvaeldi
    npdlwffachfegdpvmpgclgldamwqlvgfylgwqgnpgrgralgsgevkffgqvlpt
    akkvtynihikrtinrslvlaiadgtvsvdgreiysaeglrvglftstdsf
    

    Sequence, based on observed residues (ATOM records): (download)
    >4b0jR (R:)
    tkqhaftredllrcsrgelfgpgnaqlpapnmlmidrivhisdvggkygkgelvaeldin
    pdlwffachfegdpvmpgclgldamwqlvgfylgwqgnpgrgralgsgevkffgqvlpta
    kkvtynihikrtilvlaiadgtvsvdgreiysaeglrvglftstdsf
    

  • Chain 'S':
    Sequence, based on SEQRES records: (download)
    >4b0jS (S:)
    mtkqhaftredllrcsrgelfgpgnaqlpapnmlmidrivhisdvggkygkgelvaeldi
    npdlwffachfegdpvmpgclgldamwqlvgfylgwqgnpgrgralgsgevkffgqvlpt
    akkvtynihikrtinrslvlaiadgtvsvdgreiysaeglrvglftstdsf
    

    Sequence, based on observed residues (ATOM records): (download)
    >4b0jS (S:)
    tkqhaftredllrcsrgelfgpgnaqlpapnmlmidrivhisdvggkygkgelvaeldin
    pdlwffachfegdpvmpgclgldamwqlvgfylgwqgnpgrgralgsgevkffgqvlpta
    kkvtynihikrtilvlaiadgtvsvdgreiysaeglrvglftstdsf
    

  • Chain 'T':
    Sequence, based on SEQRES records: (download)
    >4b0jT (T:)
    mtkqhaftredllrcsrgelfgpgnaqlpapnmlmidrivhisdvggkygkgelvaeldi
    npdlwffachfegdpvmpgclgldamwqlvgfylgwqgnpgrgralgsgevkffgqvlpt
    akkvtynihikrtinrslvlaiadgtvsvdgreiysaeglrvglftstdsf
    

    Sequence, based on observed residues (ATOM records): (download)
    >4b0jT (T:)
    tkqhaftredllrcsrgelfgpgnaqlpapnmlmidrivhisdvggkygkgelvaeldin
    pdlwffachfegdpvmpgclgldamwqlvgfylgwqgnpgrgralgsgevkffgqvlpta
    kkvtynihikrtilvlaiadgtvsvdgreiysaeglrvglftstdsf