PDB entry 4b8u

View 4b8u on RCSB PDB site
Description: Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas aeruginosa in complex with N- isobutyl-2-(5-(2-thienyl)-1,2-oxazol-3-yl-)methoxy)acetamide
Class: lyase
Keywords: lyase, fatty acid biosynthesis, inhibitor, bacterial virulence, drug discovery
Deposited on 2012-08-30, released 2012-09-26
The last revision prior to the SCOPe 2.07 freeze date was dated 2013-01-16, with a file datestamp of 2013-01-11.
Experiment type: XRAY
Resolution: 2.76 Å
R-factor: 0.18483
AEROSPACI score: 0.32 (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 2.07: d4b8ua_
  • Chain 'B':
    Compound: 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase
    Species: PSEUDOMONAS AERUGINOSA [TaxId:208964]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4b8ub_
  • Chain 'C':
    Compound: 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase
    Species: PSEUDOMONAS AERUGINOSA [TaxId:208964]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4b8uc_
  • Chain 'D':
    Compound: 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase
    Species: PSEUDOMONAS AERUGINOSA [TaxId:208964]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4b8ud_
  • Chain 'E':
    Compound: 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase
    Species: PSEUDOMONAS AERUGINOSA [TaxId:208964]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4b8ue_
  • Heterogens: IBK, SO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4b8uA (A:)
mtkqhaftredllrcsrgelfgpgnaqlpapnmlmidrivhisdvggkygkgelvaeldi
npdlwffachfegdpvmpgclgldamwqlvgfylgwqgnpgrgralgsgevkffgqvlpt
akkvtynihikrtinrslvlaiadgtvsvdgreiysaeglrvglftstdsf

    Sequence, based on observed residues (ATOM records): (download) 
    >4b8uA (A:)
tkqhaftredllrcsrgelfgpgnaqlpapnmlmidrivhisdvggkygkgelvaeldin
pdlwffachfegdpvmpgclgldamwqlvgfylgwqgnpgrgralgsgevkffgqvlpta
kkvtynihikrtinrslvlaiadgtvsvdgreiysaeglrvglftstdsf

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4b8uB (B:)
mtkqhaftredllrcsrgelfgpgnaqlpapnmlmidrivhisdvggkygkgelvaeldi
npdlwffachfegdpvmpgclgldamwqlvgfylgwqgnpgrgralgsgevkffgqvlpt
akkvtynihikrtinrslvlaiadgtvsvdgreiysaeglrvglftstdsf

    Sequence, based on observed residues (ATOM records): (download) 
    >4b8uB (B:)
kqhaftredllrcsrgelfgpgnaqlpapnmlmidrivhisdvggkygkgelvaeldinp
dlwffachfegdpvmpgclgldamwqlvgfylgwqgnpgrgralgsgevkffgqvlptak
kvtynihikrtinlvlaiadgtvsvdgreiysaeglrvglftstdsf

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >4b8uC (C:)
mtkqhaftredllrcsrgelfgpgnaqlpapnmlmidrivhisdvggkygkgelvaeldi
npdlwffachfegdpvmpgclgldamwqlvgfylgwqgnpgrgralgsgevkffgqvlpt
akkvtynihikrtinrslvlaiadgtvsvdgreiysaeglrvglftstdsf

    Sequence, based on observed residues (ATOM records): (download) 
    >4b8uC (C:)
tkqhaftredllrcsrgelfgpgnaqlpapnmlmidrivhisdvggkygkgelvaeldin
pdlwffachfegdpvmpgclgldamwqlvgfylgwqgnpgrgralgsgevkffgqvlpta
kkvtynihikrtinlvlaiadgtvsvdgreiysaeglrvglft

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >4b8uD (D:)
mtkqhaftredllrcsrgelfgpgnaqlpapnmlmidrivhisdvggkygkgelvaeldi
npdlwffachfegdpvmpgclgldamwqlvgfylgwqgnpgrgralgsgevkffgqvlpt
akkvtynihikrtinrslvlaiadgtvsvdgreiysaeglrvglftstdsf

    Sequence, based on observed residues (ATOM records): (download) 
    >4b8uD (D:)
kqhaftredllrcsrgelfgpgnaqlpapnmlmidrivhisdvggkygkgelvaeldinp
dlwffachfegdpvmpgclgldamwqlvgfylgwqgnpgrgralgsgevkffgqvlptak
kvtynihikrtinlvlaiadgtvsvdgreiysaeglrvglftstd

  • Chain 'E':
    Sequence, based on SEQRES records: (download) 
    >4b8uE (E:)
mtkqhaftredllrcsrgelfgpgnaqlpapnmlmidrivhisdvggkygkgelvaeldi
npdlwffachfegdpvmpgclgldamwqlvgfylgwqgnpgrgralgsgevkffgqvlpt
akkvtynihikrtinrslvlaiadgtvsvdgreiysaeglrvglftstdsf

    Sequence, based on observed residues (ATOM records): (download) 
    >4b8uE (E:)
kqhaftredllrcsrgelfgpgnaqlpapnmlmidrivhisdvggkygkgelvaeldinp
dlwffachfegdpvmpgclgldamwqlvgfylgwqgnpgrgralgsgevkffgqvlptak
kvtynihikrtinrslvlaiadgtvsvdgreiysaeglrvglftstdsf