PDB entry 6gcq

View 6gcq on RCSB PDB site
Description: Trypanosoma brucei PTR1 in complex with inhibitor 2b (F192)
Class: oxidoreductase
Keywords: Trypanosoma brucei, pteridine reductase, PTR1, TbPTR1, benzothiazole, OXIDOREDUCTASE
Deposited on 2018-04-18, released 2019-04-03
The last revision prior to the SCOPe 2.07 freeze date was dated 2019-04-03, with a file datestamp of 2019-03-29.
Experiment type: XRAY
Resolution: 1.58 Å
R-factor: N/A
AEROSPACI score: 0.44 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: pteridine reductase
    Species: Trypanosoma brucei brucei [TaxId:5702]
    Gene: PTR1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6gcqa_
  • Chain 'B':
    Compound: pteridine reductase
    Species: Trypanosoma brucei brucei [TaxId:5702]
    Gene: PTR1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6gcqb_
  • Chain 'C':
    Compound: pteridine reductase
    Species: Trypanosoma brucei brucei [TaxId:5702]
    Gene: PTR1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6gcqc_
  • Chain 'D':
    Compound: pteridine reductase
    Species: Trypanosoma brucei brucei [TaxId:5702]
    Gene: PTR1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6gcqd_
  • Heterogens: NAP, EUH, GOL, ACT, DMS, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >6gcqA (A:)
    mgsshhhhhhssglvprgshmeapaavvtgaakrigraiavklhqtgyrvvihyhnsaea
    avsladelnkersntavvcqadltnsnvlpasceeiinscfrafgrcdvlvnnasafypt
    plvqgdhednsngktvetqvaeligtnaiapflltmsfaqrqkgtnpnctssnlsivnlc
    damvdqpcmafslynmgkhalvgltqsaalelapygirvngvapgvsllpvamgeeekdk
    wrrkvplgrreasaeqiadaviflvsgsaqyitgsiikvdgglslvha
    

    Sequence, based on observed residues (ATOM records): (download)
    >6gcqA (A:)
    eapaavvtgaakrigraiavklhqtgyrvvihyhnsaeaavsladelnkersntavvcqa
    dltnsnvlpasceeiinscfrafgrcdvlvnnasafyptplvqgktvetqvaeligtnai
    apflltmsfaqrqksnlsivnlcdamvdqpcmafslynmgkhalvgltqsaalelapygi
    rvngvapgvsllpvamgeeekdkwrrkvplgrreasaeqiadaviflvsgsaqyitgsii
    kvdgglslvha
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >6gcqB (B:)
    mgsshhhhhhssglvprgshmeapaavvtgaakrigraiavklhqtgyrvvihyhnsaea
    avsladelnkersntavvcqadltnsnvlpasceeiinscfrafgrcdvlvnnasafypt
    plvqgdhednsngktvetqvaeligtnaiapflltmsfaqrqkgtnpnctssnlsivnlc
    damvdqpcmafslynmgkhalvgltqsaalelapygirvngvapgvsllpvamgeeekdk
    wrrkvplgrreasaeqiadaviflvsgsaqyitgsiikvdgglslvha
    

    Sequence, based on observed residues (ATOM records): (download)
    >6gcqB (B:)
    meapaavvtgaakrigraiavklhqtgyrvvihyhnsaeaavsladelnkersntavvcq
    adltnsnvlpasceeiinscfrafgrcdvlvnnasafyptplvqgktvetqvaeligtna
    iapflltmsfaqrqkssnlsivnlcdamvdqpcmafslynmgkhalvgltqsaalelapy
    girvngvapgvsllpvamgeeekdkwrrkvplgrreasaeqiadaviflvsgsaqyitgs
    iikvdgglslvha
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >6gcqC (C:)
    mgsshhhhhhssglvprgshmeapaavvtgaakrigraiavklhqtgyrvvihyhnsaea
    avsladelnkersntavvcqadltnsnvlpasceeiinscfrafgrcdvlvnnasafypt
    plvqgdhednsngktvetqvaeligtnaiapflltmsfaqrqkgtnpnctssnlsivnlc
    damvdqpcmafslynmgkhalvgltqsaalelapygirvngvapgvsllpvamgeeekdk
    wrrkvplgrreasaeqiadaviflvsgsaqyitgsiikvdgglslvha
    

    Sequence, based on observed residues (ATOM records): (download)
    >6gcqC (C:)
    meapaavvtgaakrigraiavklhqtgyrvvihyhnsaeaavsladelnkersntavvcq
    adltnsnvlpasceeiinscfrafgrcdvlvnnasafyptplvqgktvetqvaeligtna
    iapflltmsfaqrqssnlsivnlcdamvdqpcmafslynmgkhalvgltqsaalelapyg
    irvngvapgvsllpvamgeeekdkwrrkvplgrreasaeqiadaviflvsgsaqyitgsi
    ikvdgglslvha
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >6gcqD (D:)
    mgsshhhhhhssglvprgshmeapaavvtgaakrigraiavklhqtgyrvvihyhnsaea
    avsladelnkersntavvcqadltnsnvlpasceeiinscfrafgrcdvlvnnasafypt
    plvqgdhednsngktvetqvaeligtnaiapflltmsfaqrqkgtnpnctssnlsivnlc
    damvdqpcmafslynmgkhalvgltqsaalelapygirvngvapgvsllpvamgeeekdk
    wrrkvplgrreasaeqiadaviflvsgsaqyitgsiikvdgglslvha
    

    Sequence, based on observed residues (ATOM records): (download)
    >6gcqD (D:)
    eapaavvtgaakrigraiavklhqtgyrvvihyhnsaeaavsladelnkersntavvcqa
    dltnsnvlpasceeiinscfrafgrcdvlvnnasafyptplvqgktvetqvaeligtnai
    apflltmsfaqrqsnlsivnlcdamvdqpcmafslynmgkhalvgltqsaalelapygir
    vngvapgvsllpvamgeeekdkwrrkvplgrreasaeqiadaviflvsgsaqyitgsiik
    vdgglslvha