PDB entry 4elb

View 4elb on RCSB PDB site
Description: Structure-activity relationship guides enantiomeric preference among potent inhibitors of B. anthracis dihydrofolate reductase
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: dihydrofolate reductase, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
Deposited on 2012-04-10, released 2013-02-13
The last revision prior to the SCOPe 2.06 freeze date was dated 2013-02-13, with a file datestamp of 2013-02-08.
Experiment type: XRAY
Resolution: 2.6 Å
R-factor: 0.247
AEROSPACI score: 0.26 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: dihydrofolate reductase
    Species: Bacillus anthracis [TaxId:260799]
    Gene: BAS2083, BA_2237, dfrA, DHFR, GBAA_2237
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q81R22 (0-161)
      • expression tag (162-165)
    Domains in SCOPe 2.06: d4elba1, d4elba2
  • Chain 'B':
    Compound: dihydrofolate reductase
    Species: Bacillus anthracis [TaxId:260799]
    Gene: BAS2083, BA_2237, dfrA, DHFR, GBAA_2237
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q81R22 (0-161)
      • expression tag (162-165)
    Domains in SCOPe 2.06: d4elbb1, d4elbb2
  • Chain 'C':
    Compound: dihydrofolate reductase
    Species: Bacillus anthracis [TaxId:260799]
    Gene: BAS2083, BA_2237, dfrA, DHFR, GBAA_2237
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q81R22 (0-161)
      • expression tag (162-165)
    Domains in SCOPe 2.06: d4elbc1, d4elbc2
  • Chain 'D':
    Compound: dihydrofolate reductase
    Species: Bacillus anthracis [TaxId:260799]
    Gene: BAS2083, BA_2237, dfrA, DHFR, GBAA_2237
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q81R22 (0-161)
      • expression tag (162-165)
    Domains in SCOPe 2.06: d4elbd1, d4elbd2
  • Chain 'E':
    Compound: dihydrofolate reductase
    Species: Bacillus anthracis [TaxId:260799]
    Gene: BAS2083, BA_2237, dfrA, DHFR, GBAA_2237
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q81R22 (0-161)
      • expression tag (162-165)
    Domains in SCOPe 2.06: d4elbe1, d4elbe2
  • Chain 'F':
    Compound: dihydrofolate reductase
    Species: Bacillus anthracis [TaxId:260799]
    Gene: BAS2083, BA_2237, dfrA, DHFR, GBAA_2237
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q81R22 (0-161)
      • expression tag (162-165)
    Domains in SCOPe 2.06: d4elbf1, d4elbf2
  • Chain 'G':
    Compound: dihydrofolate reductase
    Species: Bacillus anthracis [TaxId:260799]
    Gene: BAS2083, BA_2237, dfrA, DHFR, GBAA_2237
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q81R22 (0-161)
      • expression tag (162-165)
    Domains in SCOPe 2.06: d4elbg1, d4elbg2
  • Chain 'H':
    Compound: dihydrofolate reductase
    Species: Bacillus anthracis [TaxId:260799]
    Gene: BAS2083, BA_2237, dfrA, DHFR, GBAA_2237
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q81R22 (0-161)
      • expression tag (162-165)
    Domains in SCOPe 2.06: d4elbh1, d4elbh2
  • Heterogens: CA, CL, 34S, 34R, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download)
    >4elbA (A:)
    mivsfmvamdenrvigkdnnlpwrlpselqyvkkttmghplimgrknyeaigrplpgrrn
    iivtrnegyhvegcevahsveevfelckneeeififggaqiydlflpyvdklyitkihha
    fegdtffpemdmtnwkevfvekgltdeknpytyyyhvyekqqlvpr
    

  • Chain 'B':
    Sequence; same for both SEQRES and ATOM records: (download)
    >4elbB (B:)
    mivsfmvamdenrvigkdnnlpwrlpselqyvkkttmghplimgrknyeaigrplpgrrn
    iivtrnegyhvegcevahsveevfelckneeeififggaqiydlflpyvdklyitkihha
    fegdtffpemdmtnwkevfvekgltdeknpytyyyhvyekqqlvpr
    

  • Chain 'C':
    Sequence; same for both SEQRES and ATOM records: (download)
    >4elbC (C:)
    mivsfmvamdenrvigkdnnlpwrlpselqyvkkttmghplimgrknyeaigrplpgrrn
    iivtrnegyhvegcevahsveevfelckneeeififggaqiydlflpyvdklyitkihha
    fegdtffpemdmtnwkevfvekgltdeknpytyyyhvyekqqlvpr
    

  • Chain 'D':
    Sequence; same for both SEQRES and ATOM records: (download)
    >4elbD (D:)
    mivsfmvamdenrvigkdnnlpwrlpselqyvkkttmghplimgrknyeaigrplpgrrn
    iivtrnegyhvegcevahsveevfelckneeeififggaqiydlflpyvdklyitkihha
    fegdtffpemdmtnwkevfvekgltdeknpytyyyhvyekqqlvpr
    

  • Chain 'E':
    Sequence; same for both SEQRES and ATOM records: (download)
    >4elbE (E:)
    mivsfmvamdenrvigkdnnlpwrlpselqyvkkttmghplimgrknyeaigrplpgrrn
    iivtrnegyhvegcevahsveevfelckneeeififggaqiydlflpyvdklyitkihha
    fegdtffpemdmtnwkevfvekgltdeknpytyyyhvyekqqlvpr
    

  • Chain 'F':
    Sequence; same for both SEQRES and ATOM records: (download)
    >4elbF (F:)
    mivsfmvamdenrvigkdnnlpwrlpselqyvkkttmghplimgrknyeaigrplpgrrn
    iivtrnegyhvegcevahsveevfelckneeeififggaqiydlflpyvdklyitkihha
    fegdtffpemdmtnwkevfvekgltdeknpytyyyhvyekqqlvpr
    

  • Chain 'G':
    Sequence; same for both SEQRES and ATOM records: (download)
    >4elbG (G:)
    mivsfmvamdenrvigkdnnlpwrlpselqyvkkttmghplimgrknyeaigrplpgrrn
    iivtrnegyhvegcevahsveevfelckneeeififggaqiydlflpyvdklyitkihha
    fegdtffpemdmtnwkevfvekgltdeknpytyyyhvyekqqlvpr
    

  • Chain 'H':
    Sequence; same for both SEQRES and ATOM records: (download)
    >4elbH (H:)
    mivsfmvamdenrvigkdnnlpwrlpselqyvkkttmghplimgrknyeaigrplpgrrn
    iivtrnegyhvegcevahsveevfelckneeeififggaqiydlflpyvdklyitkihha
    fegdtffpemdmtnwkevfvekgltdeknpytyyyhvyekqqlvpr