PDB entry 6oey

View 6oey on RCSB PDB site
Description: crystal structure of trypanothione reductase from trypanosoma brucei in complex with inhibitor (+)-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1, 3-thiazol-2-yl}-1-{[(2s)-pyrrolidin-2-yl]methyl}-1h-indole
Deposited on 2019-03-28, released 2019-07-31
The last revision was dated 2020-01-08, with a file datestamp of 2020-01-03.
Experiment type: XRAY
Resolution: 2.1 Å
R-factor: N/A
AEROSPACI score: 0.29 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: trypanothione reductase
    Species: Trypanosoma brucei brucei (strain 927/4 GUTat10.1) [TaxId:185431]
    Gene: Tb10.406.0520
    Database cross-references and differences (RAF-indexed):
  • Chain 'B':
    Compound: trypanothione reductase
    Species: Trypanosoma brucei brucei (strain 927/4 GUTat10.1) [TaxId:185431]
    Gene: Tb10.406.0520
    Database cross-references and differences (RAF-indexed):
  • Heterogens: FAD, EPE, SO4, M9S, 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:
    >6oeyA (A:)
gshmskafdlvvigagsggleagwnaatlygkrvavvdvqtshgppfyaalggtcvnvgc
vpkklmvtgaqymdhlresagfgwefdgssvkanwkkliaakneavldinksyegmfndt
egldfflgwgslesknvvvvretadpksavkerlqadhillatgswpqmpaipgiehcis
sneafylpepprrvltvgggfisvefagifnaykppggkvtlcyrnnlilrgfdetiree
vtkqltangieimtnenpakvslntdgskhvtfesgktldvdvvmmaigriprtndlqlg
nvgvkltpkggvqvdefsrtnvpniyaigditdrlmltpvainegaalvdtvfgnkprkt
dhtrvasavfsippigtcglieevaakefekvavymssftplmhnisgskykkfvakivt
nhsdgtvlgvhllgdgapeiiqavgvclrlnakisdfyntigvhptsaeelcsmrtpsyy
yvkgekmeklpdsnl

    Sequence, based on observed residues (ATOM records):
    >6oeyA (A:)
afdlvvigagsggleagwnaatlygkrvavvdvqtshgppfyaalggtcvnvgcvpkklm
vtgaqymdhlresagfgwefdgssvkanwkkliaakneavldinksyegmfndtegldff
lgwgslesknvvvvretadpksavkerlqadhillatgswpqmpaipgiehcissneafy
lpepprrvltvgggfisvefagifnaykppggkvtlcyrnnlilrgfdetireevtkqlt
angieimtnenpakvslntdgskhvtfesgktldvdvvmmaigriprtndlqlgnvgvkl
tpkggvqvdefsrtnvpniyaigditdrlmltpvainegaalvdtvfgnkprktdhtrva
savfsippigtcglieevaakefekvavymssftplmhnisgskykkfvakivtnhsdgt
vlgvhllgdgapeiiqavgvclrlnakisdfyntigvhptsaeelcsmrtpsyyyvkgek
meklp

  • Chain 'B':
    Sequence, based on SEQRES records:
    >6oeyB (B:)
gshmskafdlvvigagsggleagwnaatlygkrvavvdvqtshgppfyaalggtcvnvgc
vpkklmvtgaqymdhlresagfgwefdgssvkanwkkliaakneavldinksyegmfndt
egldfflgwgslesknvvvvretadpksavkerlqadhillatgswpqmpaipgiehcis
sneafylpepprrvltvgggfisvefagifnaykppggkvtlcyrnnlilrgfdetiree
vtkqltangieimtnenpakvslntdgskhvtfesgktldvdvvmmaigriprtndlqlg
nvgvkltpkggvqvdefsrtnvpniyaigditdrlmltpvainegaalvdtvfgnkprkt
dhtrvasavfsippigtcglieevaakefekvavymssftplmhnisgskykkfvakivt
nhsdgtvlgvhllgdgapeiiqavgvclrlnakisdfyntigvhptsaeelcsmrtpsyy
yvkgekmeklpdsnl

    Sequence, based on observed residues (ATOM records):
    >6oeyB (B:)
kafdlvvigagsggleagwnaatlygkrvavvdvqtshgppfyaalggtcvnvgcvpkkl
mvtgaqymdhlresagfgwefdgssvkanwkkliaakneavldinksyegmfndtegldf
flgwgslesknvvvvretadpksavkerlqadhillatgswpqmpaipgiehcissneaf
ylpepprrvltvgggfisvefagifnaykppggkvtlcyrnnlilrgfdetireevtkql
tangieimtnenpakvslntdgskhvtfesgktldvdvvmmaigriprtndlqlgnvgvk
ltpkggvqvdefsrtnvpniyaigditdrlmltpvainegaalvdtvfgnkprktdhtrv
asavfsippigtcglieevaakefekvavymssftplmhnisgskykkfvakivtnhsdg
tvlgvhllgdgapeiiqavgvclrlnakisdfyntigvhptsaeelcsmrtpsyyyvkge
kmeklpd