PDB entry 2wpc

View 2wpc on RCSB PDB site
Description: trypanosoma brucei trypanothione reductase in complex with 3,4-dihydroquinazoline inhibitor (ddd00073357)
Deposited on 2009-08-05, released 2010-10-13
The last revision was dated 2011-10-19, with a file datestamp of 2011-10-14.
Experiment type: XRAY
Resolution: 2.1 Å
R-factor: 0.169
AEROSPACI score: 0.43 (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 (1-2)
  • 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):
    • Uniprot Q389T8 (3-End)
      • expression tag (0-2)
  • 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, WP7, CL, NA, 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:
    >2wpcA (A:)
gshmskafdlvvigagsggleagwnaatlygkrvavvdvqtshgppfyaalggtcvnvgc
vpkklmvtgaqymdhlresagfgwefdgssvkanwkkliaakneavldinksyegmfndt
egldfflgwgslesknvvvvretadpksavkerlqadhillatgswpqmpaipgiehcis
sneafylpepprrvltvgggfisvefagifnaykppggkvtlcyrnnlilrgfdetiree
vtkqltangieimtnenpakvslntdgskhvtfesgktldvdvvmmaigriprtndlqlg
nvgvkltpkggvqvdefsrtnvpniyaigditdrlmltpvainegaalvdtvfgnkprkt
dhtrvasavfsippigtcglieevaakefekvavymssftplmhnisgskykkfvakivt
nhsdgtvlgvhllgdgapeiiqavgvclrlnakisdfyntigvhptsaeelcsmrtpsyy
yvkgekmeklpdsnl

    Sequence, based on observed residues (ATOM records):
    >2wpcA (A:)
shmskafdlvvigagsggleagwnaatlygkrvavvdvqtshgppfyaalggtcvnvgcv
pkklmvtgaqymdhlresagfgwefdgssvkanwkkliaakneavldinksyegmfndte
gldfflgwgslesknvvvvretadpksavkerlqadhillatgswpqmpaipgiehciss
neafylpepprrvltvgggfisvefagifnaykppggkvtlcyrnnlilrgfdetireev
tkqltangieimtnenpakvslntdgskhvtfesgktldvdvvmmaigriprtndlqlgn
vgvkltpkggvqvdefsrtnvpniyaigditdrlmltpvainegaalvdtvfgnkprktd
htrvasavfsippigtcglieevaakefekvavymssftplmhnisgskykkfvakivtn
hsdgtvlgvhllgdgapeiiqavgvclrlnakisdfyntigvhptsaeelcsmrtpsyyy
vkgekmekl

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

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

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

    Sequence, based on observed residues (ATOM records):
    >2wpcC (C:)
gshmskafdlvvigagsggleagwnaatlygkrvavvdvqtshgppfyaalggtcvnvgc
vpkklmvtgaqymdhlresagfgwefdgssvkanwkkliaakneavldinksyegmfndt
egldfflgwgslesknvvvvretadpksavkerlqadhillatgswpqmpaipgiehcis
sneafylpepprrvltvgggfisvefagifnaykppggkvtlcyrnnlilrgfdetiree
vtkqltangieimtnenpakvslntdgskhvtfesgktldvdvvmmaigriprtndlqlg
nvgvkltpkggvqvdefsrtnvpniyaigditdrlmltpvainegaalvdtvfgnkprkt
dhtrvasavfsippigtcglieevaakefekvavymssftplmhnisgskykkfvakivt
nhsdgtvlgvhllgdgapeiiqavgvclrlnakisdfyntigvhptsaeelcsmrtpsyy
yvkgekmeklpd

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

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