PDB entry 2wp5

View 2wp5 on RCSB PDB site
Description: trypanosoma brucei trypanothione reductase in complex with 3,4-dihydroquinazoline inhibitor (ddd00065414)
Deposited on 2009-08-03, released 2010-10-13
The last revision was dated 2011-10-19, with a file datestamp of 2011-10-14.
Experiment type: XRAY
Resolution: 2.8 Å
R-factor: 0.167
AEROSPACI score: 0.3 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: trypanothione reductase
    Species: TRYPANOSOMA BRUCEI [TaxId:185431]
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q389T8 (3-End)
      • expression tag (2)
  • Chain 'B':
    Compound: trypanothione reductase
    Species: TRYPANOSOMA BRUCEI [TaxId:185431]
    Database cross-references and differences (RAF-indexed):
  • Chain 'C':
    Compound: trypanothione reductase
    Species: TRYPANOSOMA BRUCEI [TaxId:185431]
    Database cross-references and differences (RAF-indexed):
  • Chain 'D':
    Compound: trypanothione reductase
    Species: TRYPANOSOMA BRUCEI [TaxId:185431]
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q389T8 (3-End)
      • expression tag (1-2)
  • Heterogens: FAD, WP5, CL, NA, MRD, MPD, HOH

PDB Chain Sequences:
This PDB entry is not classified in SCOPe 2.08, so the chain sequences below are not included in the ASTRAL sequence sets.

  • Chain 'A':
    Sequence, based on SEQRES records:
    >2wp5A (A:)
    gshmskafdlvvigagsggleagwnaatlygkrvavvdvqtshgppfyaalggtcvnvgc
    vpkklmvtgaqymdhlresagfgwefdgssvkanwkkliaakneavldinksyegmfndt
    egldfflgwgslesknvvvvretadpksavkerlqadhillatgswpqmpaipgiehcis
    sneafylpepprrvltvgggfisvefagifnaykppggkvtlcyrnnlilrgfdetiree
    vtkqltangieimtnenpakvslntdgskhvtfesgktldvdvvmmaigriprtndlqlg
    nvgvkltpkggvqvdefsrtnvpniyaigditdrlmltpvainegaalvdtvfgnkprkt
    dhtrvasavfsippigtcglieevaakefekvavymssftplmhnisgskykkfvakivt
    nhsdgtvlgvhllgdgapeiiqavgvclrlnakisdfyntigvhptsaeelcsmrtpsyy
    yvkgekmeklpdsnl
    

    Sequence, based on observed residues (ATOM records):
    >2wp5A (A:)
    hmskafdlvvigagsggleagwnaatlygkrvavvdvqtshgppfyaalggtcvnvgcvp
    kklmvtgaqymdhlresagfgwefdgssvkanwkkliaakneavldinksyegmfndteg
    ldfflgwgslesknvvvvretadpksavkerlqadhillatgswpqmpaipgiehcissn
    eafylpepprrvltvgggfisvefagifnaykppggkvtlcyrnnlilrgfdetireevt
    kqltangieimtnenpakvslntdgskhvtfesgktldvdvvmmaigriprtndlqlgnv
    gvkltpkggvqvdefsrtnvpniyaigditdrlmltpvainegaalvdtvfgnkprktdh
    trvasavfsippigtcglieevaakefekvavymssftplmhnisgskykkfvakivtnh
    sdgtvlgvhllgdgapeiiqavgvclrlnakisdfyntigvhptsaeelcsmrtpsyyyv
    kgekmekl
    

  • Chain 'B':
    Sequence, based on SEQRES records:
    >2wp5B (B:)
    gshmskafdlvvigagsggleagwnaatlygkrvavvdvqtshgppfyaalggtcvnvgc
    vpkklmvtgaqymdhlresagfgwefdgssvkanwkkliaakneavldinksyegmfndt
    egldfflgwgslesknvvvvretadpksavkerlqadhillatgswpqmpaipgiehcis
    sneafylpepprrvltvgggfisvefagifnaykppggkvtlcyrnnlilrgfdetiree
    vtkqltangieimtnenpakvslntdgskhvtfesgktldvdvvmmaigriprtndlqlg
    nvgvkltpkggvqvdefsrtnvpniyaigditdrlmltpvainegaalvdtvfgnkprkt
    dhtrvasavfsippigtcglieevaakefekvavymssftplmhnisgskykkfvakivt
    nhsdgtvlgvhllgdgapeiiqavgvclrlnakisdfyntigvhptsaeelcsmrtpsyy
    yvkgekmeklpdsnl
    

    Sequence, based on observed residues (ATOM records):
    >2wp5B (B:)
    skafdlvvigagsggleagwnaatlygkrvavvdvqtshgppfyaalggtcvnvgcvpkk
    lmvtgaqymdhlresagfgwefdgssvkanwkkliaakneavldinksyegmfndtegld
    fflgwgslesknvvvvretadpksavkerlqadhillatgswpqmpaipgiehcissnea
    fylpepprrvltvgggfisvefagifnaykppggkvtlcyrnnlilrgfdetireevtkq
    ltangieimtnenpakvslntdgskhvtfesgktldvdvvmmaigriprtndlqlgnvgv
    kltpkggvqvdefsrtnvpniyaigditdrlmltpvainegaalvdtvfgnkprktdhtr
    vasavfsippigtcglieevaakefekvavymssftplmhnisgskykkfvakivtnhsd
    gtvlgvhllgdgapeiiqavgvclrlnakisdfyntigvhptsaeelcsmrtpsyyyvkg
    ekmek
    

  • Chain 'C':
    Sequence, based on SEQRES records:
    >2wp5C (C:)
    gshmskafdlvvigagsggleagwnaatlygkrvavvdvqtshgppfyaalggtcvnvgc
    vpkklmvtgaqymdhlresagfgwefdgssvkanwkkliaakneavldinksyegmfndt
    egldfflgwgslesknvvvvretadpksavkerlqadhillatgswpqmpaipgiehcis
    sneafylpepprrvltvgggfisvefagifnaykppggkvtlcyrnnlilrgfdetiree
    vtkqltangieimtnenpakvslntdgskhvtfesgktldvdvvmmaigriprtndlqlg
    nvgvkltpkggvqvdefsrtnvpniyaigditdrlmltpvainegaalvdtvfgnkprkt
    dhtrvasavfsippigtcglieevaakefekvavymssftplmhnisgskykkfvakivt
    nhsdgtvlgvhllgdgapeiiqavgvclrlnakisdfyntigvhptsaeelcsmrtpsyy
    yvkgekmeklpdsnl
    

    Sequence, based on observed residues (ATOM records):
    >2wp5C (C:)
    skafdlvvigagsggleagwnaatlygkrvavvdvqtshgppfyaalggtcvnvgcvpkk
    lmvtgaqymdhlresagfgwefdgssvkanwkkliaakneavldinksyegmfndtegld
    fflgwgslesknvvvvretadpksavkerlqadhillatgswpqmpaipgiehcissnea
    fylpepprrvltvgggfisvefagifnaykppggkvtlcyrnnlilrgfdetireevtkq
    ltangieimtnenpakvslntdgskhvtfesgktldvdvvmmaigriprtndlqlgnvgv
    kltpkggvqvdefsrtnvpniyaigditdrlmltpvainegaalvdtvfgnkprktdhtr
    vasavfsippigtcglieevaakefekvavymssftplmhnisgskykkfvakivtnhsd
    gtvlgvhllgdgapeiiqavgvclrlnakisdfyntigvhptsaeelcsmrtpsyyyvkg
    ekmek
    

  • Chain 'D':
    Sequence, based on SEQRES records:
    >2wp5D (D:)
    gshmskafdlvvigagsggleagwnaatlygkrvavvdvqtshgppfyaalggtcvnvgc
    vpkklmvtgaqymdhlresagfgwefdgssvkanwkkliaakneavldinksyegmfndt
    egldfflgwgslesknvvvvretadpksavkerlqadhillatgswpqmpaipgiehcis
    sneafylpepprrvltvgggfisvefagifnaykppggkvtlcyrnnlilrgfdetiree
    vtkqltangieimtnenpakvslntdgskhvtfesgktldvdvvmmaigriprtndlqlg
    nvgvkltpkggvqvdefsrtnvpniyaigditdrlmltpvainegaalvdtvfgnkprkt
    dhtrvasavfsippigtcglieevaakefekvavymssftplmhnisgskykkfvakivt
    nhsdgtvlgvhllgdgapeiiqavgvclrlnakisdfyntigvhptsaeelcsmrtpsyy
    yvkgekmeklpdsnl
    

    Sequence, based on observed residues (ATOM records):
    >2wp5D (D:)
    shmskafdlvvigagsggleagwnaatlygkrvavvdvqtshgppfyaalggtcvnvgcv
    pkklmvtgaqymdhlresagfgwefdgssvkanwkkliaakneavldinksyegmfndte
    gldfflgwgslesknvvvvretadpksavkerlqadhillatgswpqmpaipgiehciss
    neafylpepprrvltvgggfisvefagifnaykppggkvtlcyrnnlilrgfdetireev
    tkqltangieimtnenpakvslntdgskhvtfesgktldvdvvmmaigriprtndlqlgn
    vgvkltpkggvqvdefsrtnvpniyaigditdrlmltpvainegaalvdtvfgnkprktd
    htrvasavfsippigtcglieevaakefekvavymssftplmhnisgskykkfvakivtn
    hsdgtvlgvhllgdgapeiiqavgvclrlnakisdfyntigvhptsaeelcsmrtpsyyy
    vkgekmek