PDB entry 3sh2

View 3sh2 on RCSB PDB site
Description: Staphylococcus aureus Dihydrofolate Reductase complexed with NADPH and 6-ethyl-5-(3-(4-methoxybiphenyl-3-yl)prop-1-ynyl)pyrimidine-2,4-diamine (UCP120J)
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: oxidoreductase, NADP, NADPH, One-carbon metabolism, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
Deposited on 2011-06-15, released 2012-03-07
The last revision prior to the SCOPe 2.07 freeze date was dated 2013-11-20, with a file datestamp of 2013-11-15.
Experiment type: XRAY
Resolution: 3 Å
R-factor: 0.218
AEROSPACI score: 0.17 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: dihydrofolate reductase
    Species: Staphylococcus aureus [TaxId:1280]
    Gene: dfrA, dfrB, folA
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3sh2a_
  • Chain 'B':
    Compound: dihydrofolate reductase
    Species: Staphylococcus aureus [TaxId:1280]
    Gene: dfrA, dfrB, folA
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3sh2b_
  • Heterogens: NDP, 5DR

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3sh2A (A:)
    tlsilvahdlqrvigfenqlpwhlpndlkhvkklstghtlvmgrktfesigkplpnrrnv
    vltsdtsfnvegvdvihsiediyqlpghvfifggqtlfeemidkvddmyitviegkfrgd
    tffppytfedwevassvegkldekntiphtflhlirklehhhhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >3sh2A (A:)
    tlsilvahdlqrvigfenqlpwhlpndlkhvkklstghtlvmgrktfesigkplpnrrnv
    vltsdtsfnvegvdvihsiediyqlpghvfifggqtlfeemidkvddmyitviegkfrgd
    tffppytfedwevassvegkldekntiphtflhlirk
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3sh2B (B:)
    tlsilvahdlqrvigfenqlpwhlpndlkhvkklstghtlvmgrktfesigkplpnrrnv
    vltsdtsfnvegvdvihsiediyqlpghvfifggqtlfeemidkvddmyitviegkfrgd
    tffppytfedwevassvegkldekntiphtflhlirklehhhhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >3sh2B (B:)
    tlsilvahdlqrvigfenqlpwhlpndlkhvkklstghtlvmgrktfesigkplpnrrnv
    vltsdtsfnvegvdvihsiediyqlpghvfifggqtlfeemidkvddmyitviegkfrgd
    tffppytfedwevassvegkldekntiphtflhlirk