PDB entry 1w0c

View 1w0c on RCSB PDB site
Description: inhibition of leishmania major pteridine reductase (ptr1) by 2,4,6-triaminoquinazoline; structure of the nadp ternary complex.
Class: oxidoreductase
Keywords: oxidoreductase, enzyme inhibitor, pterin, short-chain reductase, leishmania, methotrexate, trypanosoma, nadp, methotrexate resistance
Deposited on 2004-06-02, released 2004-09-30
The last revision prior to the SCOPe 2.07 freeze date was dated 2009-02-24, with a file datestamp of 2009-03-01.
Experiment type: XRAY
Resolution: 2.6 Å
R-factor: 0.267
AEROSPACI score: 0.23 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: pteridine reductase
    Species: LEISHMANIA MAJOR [TaxId:5664]
    Database cross-references and differences (RAF-indexed):
    • PDB 1W0C
      • conflict (180)
    • Uniprot Q01782 (Start-306)
    Domains in SCOPe 2.07: d1w0ca_
  • Chain 'B':
    Compound: pteridine reductase
    Species: LEISHMANIA MAJOR [TaxId:5664]
    Database cross-references and differences (RAF-indexed):
    • PDB 1W0C
      • conflict (180)
    • Uniprot Q01782 (Start-306)
    Domains in SCOPe 2.07: d1w0cb_
  • Chain 'C':
    Compound: pteridine reductase
    Species: LEISHMANIA MAJOR [TaxId:5664]
    Database cross-references and differences (RAF-indexed):
    • PDB 1W0C
      • conflict (180)
    • Uniprot Q01782 (Start-306)
    Domains in SCOPe 2.07: d1w0cc_
  • Chain 'D':
    Compound: pteridine reductase
    Species: LEISHMANIA MAJOR [TaxId:5664]
    Database cross-references and differences (RAF-indexed):
    • PDB 1W0C
      • conflict (180)
    • Uniprot Q01782 (Start-306)
    Domains in SCOPe 2.07: d1w0cd_
  • Chain 'E':
    Compound: pteridine reductase
    Species: LEISHMANIA MAJOR [TaxId:5664]
    Database cross-references and differences (RAF-indexed):
    • PDB 1W0C
      • conflict (180)
    • Uniprot Q01782 (Start-306)
    Domains in SCOPe 2.07: d1w0ce_
  • Chain 'F':
    Compound: pteridine reductase
    Species: LEISHMANIA MAJOR [TaxId:5664]
    Database cross-references and differences (RAF-indexed):
    • PDB 1W0C
      • conflict (180)
    • Uniprot Q01782 (Start-306)
    Domains in SCOPe 2.07: d1w0cf_
  • Chain 'G':
    Compound: pteridine reductase
    Species: LEISHMANIA MAJOR [TaxId:5664]
    Database cross-references and differences (RAF-indexed):
    • PDB 1W0C
      • conflict (180)
    • Uniprot Q01782 (Start-306)
    Domains in SCOPe 2.07: d1w0cg_
  • Chain 'H':
    Compound: pteridine reductase
    Species: LEISHMANIA MAJOR [TaxId:5664]
    Database cross-references and differences (RAF-indexed):
    • PDB 1W0C
      • conflict (180)
    • Uniprot Q01782 (Start-306)
    Domains in SCOPe 2.07: d1w0ch_
  • Heterogens: NAP, TAQ, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >1w0cA (A:)
    lmpteridineredctasemtaptvpvalvtgaakrlgrsiaeglhaegyavclhyhrsa
    aeanalsatlnarrpnsaitvqadlsnvatapvsgadgsapvtlftrcaelvaacythwg
    rcdvlvnnassfyptpllrndedghepcvgdreametatadlfgsnaiapyflikafahr
    vagtpakhrgtnysiinmvdamtnqpllgytiytmakgalegltrsaalelaplqirvng
    vgpglsvlvddmppavweghrskvplyqrdssaaevsdvviflcsskakyitgtcvkvdg
    gysltra
    

    Sequence, based on observed residues (ATOM records): (download)
    >1w0cA (A:)
    vpvalvtgaakrlgrsiaeglhaegyavclhyhrsaaeanalsatlnarrpnsaitvqad
    lsnvatapvsgadgsapvtlftrcaelvaacythwgrcdvlvnnassfyptpllrndvgd
    reametatadlfgsnaiapyflikafahrvagtpakhrgtnysiinmvdamtnqpllgyt
    iytmakgalegltrsaalelaplqirvngvgpglsvlvddmppavweghrskvplyqrds
    saaevsdvviflcsskakyitgtcvkvdggysltra
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >1w0cB (B:)
    lmpteridineredctasemtaptvpvalvtgaakrlgrsiaeglhaegyavclhyhrsa
    aeanalsatlnarrpnsaitvqadlsnvatapvsgadgsapvtlftrcaelvaacythwg
    rcdvlvnnassfyptpllrndedghepcvgdreametatadlfgsnaiapyflikafahr
    vagtpakhrgtnysiinmvdamtnqpllgytiytmakgalegltrsaalelaplqirvng
    vgpglsvlvddmppavweghrskvplyqrdssaaevsdvviflcsskakyitgtcvkvdg
    gysltra
    

    Sequence, based on observed residues (ATOM records): (download)
    >1w0cB (B:)
    tvpvalvtgaakrlgrsiaeglhaegyavclhyhrsaaeanalsatlnarrpnsaitvqa
    dlsnvatapvsgadgsapvtlftrcaelvaacythwgrcdvlvnnassfyptpllrgdre
    ametatadlfgsnaiapyflikafahrvagtpakhrgtnysiinmvdamtnqpllgytiy
    tmakgalegltrsaalelaplqirvngvgpglsvlvddmppavweghrskvplyqrdssa
    aevsdvviflcsskakyitgtcvkvdggysltra
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >1w0cC (C:)
    lmpteridineredctasemtaptvpvalvtgaakrlgrsiaeglhaegyavclhyhrsa
    aeanalsatlnarrpnsaitvqadlsnvatapvsgadgsapvtlftrcaelvaacythwg
    rcdvlvnnassfyptpllrndedghepcvgdreametatadlfgsnaiapyflikafahr
    vagtpakhrgtnysiinmvdamtnqpllgytiytmakgalegltrsaalelaplqirvng
    vgpglsvlvddmppavweghrskvplyqrdssaaevsdvviflcsskakyitgtcvkvdg
    gysltra
    

    Sequence, based on observed residues (ATOM records): (download)
    >1w0cC (C:)
    tvpvalvtgaakrlgrsiaeglhaegyavclhyhrsaaeanalsatlnarrpnsaitvqa
    dlsnvatapvsgagsapvtlftrcaelvaacythwgrcdvlvnnassfyptpllrndrea
    metatadlfgsnaiapyflikafahrvagtpakhrgtnysiinmvdamtnqpllgytiyt
    makgalegltrsaalelaplqirvngvgpglsvlvghrskvplyqrdssaaevsdvvifl
    csskakyitgtcvkvdggysltra
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >1w0cD (D:)
    lmpteridineredctasemtaptvpvalvtgaakrlgrsiaeglhaegyavclhyhrsa
    aeanalsatlnarrpnsaitvqadlsnvatapvsgadgsapvtlftrcaelvaacythwg
    rcdvlvnnassfyptpllrndedghepcvgdreametatadlfgsnaiapyflikafahr
    vagtpakhrgtnysiinmvdamtnqpllgytiytmakgalegltrsaalelaplqirvng
    vgpglsvlvddmppavweghrskvplyqrdssaaevsdvviflcsskakyitgtcvkvdg
    gysltra
    

    Sequence, based on observed residues (ATOM records): (download)
    >1w0cD (D:)
    tvpvalvtgaakrlgrsiaeglhaegyavclhyhrsaaeanalsatlnarrpnsaitvqa
    dlsnvatapapvtlftrcaelvaacythwgrcdvlvnnassfyptpllrreametatadl
    fgsnaiapyflikafahrvagtpakhrgtnysiinmvdamtnqpllgytiytmakgaleg
    ltrsaalelaplqirvngvgpglsvlvghrskvplyqrdssaaevsdvviflcsskakyi
    tgtcvkvdggysltra
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >1w0cE (E:)
    lmpteridineredctasemtaptvpvalvtgaakrlgrsiaeglhaegyavclhyhrsa
    aeanalsatlnarrpnsaitvqadlsnvatapvsgadgsapvtlftrcaelvaacythwg
    rcdvlvnnassfyptpllrndedghepcvgdreametatadlfgsnaiapyflikafahr
    vagtpakhrgtnysiinmvdamtnqpllgytiytmakgalegltrsaalelaplqirvng
    vgpglsvlvddmppavweghrskvplyqrdssaaevsdvviflcsskakyitgtcvkvdg
    gysltra
    

    Sequence, based on observed residues (ATOM records): (download)
    >1w0cE (E:)
    vpvalvtgaakrlgrsiaeglhaegyavclhyhrsaaeanalsatlnarrpnsaitvqad
    lsnvatapapvtlftrcaelvaacythwgrcdvlvnnassfyptpllrngdreametata
    dlfgsnaiapyflikafahrvagtpakhrgtnysiinmvdamtnqpllgytiytmakgal
    egltrsaalelaplqirvngvgpglsvlvddmppavweghrskvplyqrdssaaevsdvv
    iflcsskakyitgtcvkvdggysltra
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >1w0cF (F:)
    lmpteridineredctasemtaptvpvalvtgaakrlgrsiaeglhaegyavclhyhrsa
    aeanalsatlnarrpnsaitvqadlsnvatapvsgadgsapvtlftrcaelvaacythwg
    rcdvlvnnassfyptpllrndedghepcvgdreametatadlfgsnaiapyflikafahr
    vagtpakhrgtnysiinmvdamtnqpllgytiytmakgalegltrsaalelaplqirvng
    vgpglsvlvddmppavweghrskvplyqrdssaaevsdvviflcsskakyitgtcvkvdg
    gysltra
    

    Sequence, based on observed residues (ATOM records): (download)
    >1w0cF (F:)
    tvpvalvtgaakrlgrsiaeglhaegyavclhyhrsaaeanalsatlnarrpnsaitvqa
    dlsnvatapsapvtlftrcaelvaacythwgrcdvlvnnassfyptpllrndgdreamet
    atadlfgsnaiapyflikafahrvagtpakhrgtnysiinmvdamtnqpllgytiytmak
    galegltrsaalelaplqirvngvgpglsvlvddmppavweghrskvplyqrdssaaevs
    dvviflcsskakyitgtcvkvdggysltra
    

  • Chain 'G':
    Sequence, based on SEQRES records: (download)
    >1w0cG (G:)
    lmpteridineredctasemtaptvpvalvtgaakrlgrsiaeglhaegyavclhyhrsa
    aeanalsatlnarrpnsaitvqadlsnvatapvsgadgsapvtlftrcaelvaacythwg
    rcdvlvnnassfyptpllrndedghepcvgdreametatadlfgsnaiapyflikafahr
    vagtpakhrgtnysiinmvdamtnqpllgytiytmakgalegltrsaalelaplqirvng
    vgpglsvlvddmppavweghrskvplyqrdssaaevsdvviflcsskakyitgtcvkvdg
    gysltra
    

    Sequence, based on observed residues (ATOM records): (download)
    >1w0cG (G:)
    vpvalvtgaakrlgrsiaeglhaegyavclhyhrsaaeanalsatlnarrpnsaitvqad
    lsnvatapapvtlftrcaelvaacythwgrcdvlvnnassfyptpllrndreametatad
    lfgsnaiapyflikafahrvagtpakhrgtnysiinmvdamtnqpllgytiytmakgale
    gltrsaalelaplqirvngvgpglsvlvddmppeghrskvplyqrdssaaevsdvviflc
    sskakyitgtcvkvdggysltra
    

  • Chain 'H':
    Sequence, based on SEQRES records: (download)
    >1w0cH (H:)
    lmpteridineredctasemtaptvpvalvtgaakrlgrsiaeglhaegyavclhyhrsa
    aeanalsatlnarrpnsaitvqadlsnvatapvsgadgsapvtlftrcaelvaacythwg
    rcdvlvnnassfyptpllrndedghepcvgdreametatadlfgsnaiapyflikafahr
    vagtpakhrgtnysiinmvdamtnqpllgytiytmakgalegltrsaalelaplqirvng
    vgpglsvlvddmppavweghrskvplyqrdssaaevsdvviflcsskakyitgtcvkvdg
    gysltra
    

    Sequence, based on observed residues (ATOM records): (download)
    >1w0cH (H:)
    tvpvalvtgaakrlgrsiaeglhaegyavclhyhrsaaeanalsatlnarrpnsaitvqa
    dlsnvatapapvtlftrcaelvaacythwgrcdvlvnnassfyptpllrreametatadl
    fgsnaiapyflikafahrvagtpakhrgtnysiinmvdamtnqpllgytiytmakgaleg
    ltrsaalelaplqirvngvgpglsvlvavweghrskvplyqrdssaaevsdvviflcssk
    akyitgtcvkvdggysltra