PDB entry 3jvx

View 3jvx on RCSB PDB site
Description: Crystal structure of Bacillus anthracis dihydrofolate reductase complexed with NADPH and 2,4-diamino-5-(3-(3,4,5-trimethoxyphenyl)prop-1-ynyl)-6-ethylpyrimidine (UCP120A)
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: 2.25 Å
R-factor: 0.182
AEROSPACI score: 0.32 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: dihydrofolate reductase
    Species: Bacillus anthracis [TaxId:1392]
    Gene: BAS2083, BA_2237, dfrA, GBAA2237, GBAA_2237
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q81R22 (6-167)
      • expression tag (2-5)
      • engineered (7)
    Domains in SCOPe 2.05: d3jvxa_
  • Chain 'B':
    Compound: dihydrofolate reductase
    Species: Bacillus anthracis [TaxId:1392]
    Gene: BAS2083, BA_2237, dfrA, GBAA2237, GBAA_2237
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q81R22 (6-167)
      • expression tag (2-5)
      • engineered (7)
    Domains in SCOPe 2.05: d3jvxb_
  • Heterogens: NDP, EKB, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download) 
    >3jvxA (A:)
hhhhmrvsfmvamdenrvigkdnnlpwrlpselqyvkkttmghplimgrknyeaigrplp
grrniivtrnegyhvegcevahsveevfelckneeeififggaqiydlflpyvdklyitk
ihhafegdtffpemdmtnwkevfvekgltdeknpytyyyhvyekqq

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

    Sequence, based on observed residues (ATOM records): (download) 
    >3jvxB (B:)
hhhhmrvsfmvamdenrvigkdnnlpwrlpselqyvkkttmghplimgrknyeaigrplp
grrniivtrnegyhvegcevahsveevfelckneeeififggaqiydlflpyvdklyitk
ihhafegdtffpemdmtnwkevfvekgltdeknpytyyyhvyekqq