PDB entry 4nl1

View 4nl1 on RCSB PDB site
Description: Crystal structure of B. anthracis DHPS with compound 11: (E)-N-[4-(trifluoromethyl)benzyl]-1-[4-(trifluoromethyl)phenyl]methanimine
Class: transferase/transferase inhibitor
Keywords: TIM Barrel, TIM barel, Transferase, Pterin, pABA, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2013-11-13, released 2014-05-14
The last revision prior to the SCOPe 2.06 freeze date was dated 2014-08-06, with a file datestamp of 2014-08-01.
Experiment type: XRAY
Resolution: 2.3 Å
R-factor: 0.209
AEROSPACI score: 0.29 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: dihydropteroate synthase
    Species: Bacillus anthracis [TaxId:1392]
    Gene: folP, BAS0071, BA_0071, GBAA_0071
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4nl1a_
  • Chain 'B':
    Compound: dihydropteroate synthase
    Species: Bacillus anthracis [TaxId:1392]
    Gene: folP, BAS0071, BA_0071, GBAA_0071
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4nl1b_
  • Heterogens: Z13, SO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4nl1A (A:)
    mgsshhhhhhssglvprgshmkwdydlrcgeytlnlnektlimgilnvtpdsfsdggsyn
    evdaavrhakemrdegahiidiggestrpgfakvsveeeikrvvpmiqavskevklpisi
    dtykaevakqaieagahiindiwgakaepkiaevaahydvpiilmhnrdnmnyrnlmadm
    iadlydsikiakdagvrdeniildpgigfaktpeqnleamrnleqlnvlgypvllgtsrk
    sfighvldlpveerlegtgatvclgiekgcefvrvhdvkemsrmakmmdamigkgvk
    

    Sequence, based on observed residues (ATOM records): (download)
    >4nl1A (A:)
    kwdydlrcgeytlnlnektlimgilnvtpdsfsdggsynevdaavrhakemrdegahiid
    iggestrpgfakvsveeeikrvvpmiqavskevklpisidtykaevakqaieagahiind
    iwgakaepkiaevaahydvpiilmhnrdnmnyrnlmadmiadlydsikiakdagvrdeni
    ildpgigfaktpeqnleamrnleqlnvlgypvllgtsrksfighvldlpveerlegtgat
    vclgiekgcefvrvhdvkemsrmakmmdamigk
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4nl1B (B:)
    mgsshhhhhhssglvprgshmkwdydlrcgeytlnlnektlimgilnvtpdsfsdggsyn
    evdaavrhakemrdegahiidiggestrpgfakvsveeeikrvvpmiqavskevklpisi
    dtykaevakqaieagahiindiwgakaepkiaevaahydvpiilmhnrdnmnyrnlmadm
    iadlydsikiakdagvrdeniildpgigfaktpeqnleamrnleqlnvlgypvllgtsrk
    sfighvldlpveerlegtgatvclgiekgcefvrvhdvkemsrmakmmdamigkgvk
    

    Sequence, based on observed residues (ATOM records): (download)
    >4nl1B (B:)
    kwdydlrcgeytlnlnektlimgilnvtpfsdggsynevdaavrhakemrdegahiidig
    gvsveeeikrvvpmiqavskevklpisidtykaevakqaieagahiindiwgakaepkia
    evaahydvpiilmhnrdnmnyrnlmadmiadlydsikiakdagvrdeniildpgigfakt
    peqnleamrnleqlnvlgypvllgtsrksfighvldlpveerlegtgatvclgiekgcef
    vrvhdvkemsrmakmmdamigk