PDB entry 4nil

View 4nil on RCSB PDB site
Description: Crystal structure of B. anthracis DHPS with compound 5: 4-[(trifluoromethyl)sulfanyl]benzamide
Class: transferase/transferase inhibitor
Keywords: TIM Barrel, transferase, Pterin and pABA binding, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2013-11-06, 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: 2.18 Å
R-factor: 0.229
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):
    • Uniprot Q81VW8 (21-End)
      • expression tag (20)
    Domains in SCOPe 2.06: d4nila1, d4nila2
  • 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: d4nilb_
  • Heterogens: SO4, 2O8, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download)
    >4nilA (A:)
    mkwdydlrcgeytlnlnektlimgilnvtpdsfsdggsynevdaavrhakemrdegahii
    diggestrpgfakvsveeeikrvvpmiqavskevklpisidtykaevakqaieagahiin
    diwgakaepkiaevaahydvpiilmhnrdnmnyrnlmadmiadlydsikiakdagvrden
    iildpgigfaktpeqnleamrnleqlnvlgypvllgtsrksfighvldlpveerlegtga
    tvclgiekgcefvrvhdvkemsrmakmmdamigk
    

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

    Sequence, based on observed residues (ATOM records): (download)
    >4nilB (B:)
    kwdydlrcgeytlnlnektlimgilnvtpsdggsynevdaavrhakemrdegahiidigg
    akvsveeeikrvvpmiqavskevklpisidtykaevakqaieagahiindiwgakaepki
    aevaahydvpiilmhnrdnmnyrnlmadmiadlydsikiakdagvrdeniildpgigfak
    tpeqnleamrnleqlnvlgypvllgtsrksfighvldlpveerlegtgatvclgiekgce
    fvrvhdvkemsrmakmmdamigk