PDB entry 4nhv

View 4nhv on RCSB PDB site
Description: Crystal structure of B. anthracis DHPS with interfacial compound 4: 5-(trifluoromethyl)-1,2-benzoxazol-3-amine
Class: transferase/transferase inhibitor
Keywords: TIM Barrel, TIM barel, Transferase, Pterin, pABA, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2013-11-05, released 2014-05-14
The last revision prior to the SCOPe 2.08 freeze date was dated 2017-11-22, with a file datestamp of 2017-11-17.
Experiment type: XRAY
Resolution: 1.99 Å
R-factor: N/A
AEROSPACI score: 0.32 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: dihydropteroate synthase
    Species: Bacillus anthracis [TaxId:1392]
    Gene: BAS0071, BA_0071, folP, GBAA_0071
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q81VW8 (21-End)
      • expression tag (20)
    Domains in SCOPe 2.08: d4nhva1, d4nhva2
  • Chain 'B':
    Compound: dihydropteroate synthase
    Species: Bacillus anthracis [TaxId:1392]
    Gene: BAS0071, BA_0071, folP, GBAA_0071
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4nhvb_
  • Heterogens: SO4, 2O6, HOH

PDB Chain Sequences:

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

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

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

    Sequence, based on observed residues (ATOM records): (download) 
    >4nhvB (B:)
kwdydlrcgeytlnlnektlimgilnvtpsdggsynevdaavrhakemrdegahiidigg
esvsveeeikrvvpmiqavskevklpisidtykaevakqaieagahiindiwgakaepki
aevaahydvpiilmhnrdnmnyrnlmadmiadlydsikiakdagvrdeniildpgigfak
tpeqnleamrnleqlnvlgypvllgtsrksfighvldlpveerlegtgatvclgiekgce
fvrvhdvkemsrmakmmdamigkg