PDB entry 3jw3

View 3jw3 on RCSB PDB site
Description: Crystal structure of Bacillus anthracis (F96I) dihydrofolate reductase complexed with NADPH and Trimethoprim
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
Deposited on 2009-09-17, released 2010-09-15
The last revision prior to the SCOPe 2.05 freeze date was dated 2013-11-20, with a file datestamp of 2013-11-15.
Experiment type: XRAY
Resolution: 2.57 Å
R-factor: 0.221
AEROSPACI score: 0.22 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: dihydrofolate reductase
    Species: Bacillus anthracis [TaxId:1392]
    Gene: BAS2083, BAS2084, BA_2237, dfrA, GBAA2237, GBAA_2237
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q81R22 (6-167)
      • expression tag (3-5)
      • engineered (7)
      • engineered (101)
    Domains in SCOPe 2.05: d3jw3a_
  • Chain 'B':
    Compound: dihydrofolate reductase
    Species: Bacillus anthracis [TaxId:1392]
    Gene: BAS2083, BAS2084, BA_2237, dfrA, GBAA2237, GBAA_2237
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q81R22 (6-167)
      • expression tag (3-5)
      • engineered (7)
      • engineered (101)
    Domains in SCOPe 2.05: d3jw3b_
  • Heterogens: NDP, TOP, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3jw3A (A:)
hhhhhhmrvsfmvamdenrvigkdnnlpwrlpselqyvkkttmghplimgrknyeaigrp
lpgrrniivtrnegyhvegcevahsveevfelckneeeifiiggaqiydlflpyvdklyi
tkihhafegdtffpemdmtnwkevfvekgltdeknpytyyyhvyekqq

    Sequence, based on observed residues (ATOM records): (download) 
    >3jw3A (A:)
hhhmrvsfmvamdenrvigkdnnlpwrlpselqyvkkttmghplimgrknyeaigrplpg
rrniivtrnegyhvegcevahsveevfelckneeeifiiggaqiydlflpyvdklyitki
hhafegdtffpemdmtnwkevfvekgltdeknpytyyyhvyekqq

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3jw3B (B:)
hhhhhhmrvsfmvamdenrvigkdnnlpwrlpselqyvkkttmghplimgrknyeaigrp
lpgrrniivtrnegyhvegcevahsveevfelckneeeifiiggaqiydlflpyvdklyi
tkihhafegdtffpemdmtnwkevfvekgltdeknpytyyyhvyekqq

    Sequence, based on observed residues (ATOM records): (download) 
    >3jw3B (B:)
hhhmrvsfmvamdenrvigkdnnlpwrlpselqyvkkttmghplimgrknyeaigrplpg
rrniivtrnegyhvegcevahsveevfelckneeeifiiggaqiydlflpyvdklyitki
hhafegdtffpemdmtnwkevfvekgltdeknpytyyyhvyekqq