PDB entry 4new

View 4new on RCSB PDB site
Description: crystal structure of trypanothione reductase from trypanosoma cruzi in complex with inhibitor ep127 (5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1h-indole)
Deposited on 2013-10-30, released 2014-05-14
The last revision was dated 2014-08-13, with a file datestamp of 2014-08-08.
Experiment type: XRAY
Resolution: 2.8 Å
R-factor: 0.232
AEROSPACI score: 0.17 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Trypanothione reductase, putative
    Species: Trypanosoma cruzi [TaxId:5693]
    Gene: TCSYLVIO_004807
    Database cross-references and differences (RAF-indexed):
    • Uniprot K4E0T9
      • see remark 999 (94)
  • Heterogens: FAD, 2JR

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:
    >4newA (A:)
mmpkifdlvvigagsggleaawnaatlykkrvavidvqmvhgppffsalggtcvnvgcvp
kklmvtgaqymehlresagfgwefdrttlraewknliavkdeavlninksydemfrdteg
lefflgwgslesknvvnvresadpasavkerletehillasgswphmpnipgiehcissn
eafylpepprrvltvgggfisvefagifnaykpkdgqvtlcyrgemilrgfdhtlreelt
kqltangiqiltkenpakvelnadgsksvtfesgkkmdfdlvmmaigrsprtkdlqlqna
gvmiknggvqvdeysrtnvsniyaigdvtnrvmltpvaineaaalvdtvfgttprktdht
rvasavfsippigtcglieevaskryevvavylssftplmhkvsgskyktfvakiitnhs
dgtvlgvhllgdnapeiiqgigiclklnakisdfyntigvhptsaeelcsmrtpsyyyvk
gekmekpseasl

    Sequence, based on observed residues (ATOM records):
    >4newA (A:)
fdlvvigagsggleaawnaatlykkrvavidvqmvhgppffsalggtcvnvgcvpkklmv
tgaqymehlresagfgwefdrttlraewknliavkdeavlninksydemfrdtegleffl
gwgslesknvvnvresadpasavkerletehillasgswphmpnipgiehcissneafyl
pepprrvltvgggfisvefagifnaykpkdgqvtlcyrgemilrgfdhtlreeltkqlta
ngiqiltkenpakvelnadgsksvtfesgkkmdfdlvmmaigrsprtkdlqlqnagvmik
nggvqvdeysrtnvsniyaigdvtnrvmltpvaineaaalvdtvfgttprktdhtrvasa
vfsippigtcglieevaskryevvavylssftplmhkvsgskyktfvakiitnhsdgtvl
gvhllgdnapeiiqgigiclklnakisdfyntigvhptsaeelcsmrtpsyyyvkgekme
kp