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 2.04 freeze date was dated 2014-05-14, with a file datestamp of 2014-05-09.
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 2.04: 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 2.04: 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