Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T99616 | Target Info | |||
| Target Name | Trypanosoma Trypanothione reductase (Trypano TPR) | ||||
| Synonyms | TRYR; TPR; Parasite-specific trypanothione reductase; N(1),N(8)-bis(glutathionyl)spermidine reductase | ||||
| Target Type | Successful Target | ||||
| Gene Name | Trypano TPR | ||||
| Biochemical Class | Sulfur donor oxidoreductase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Flavin-Adenine Dinucleotide | Ligand Info | |||||
| Structure Description | Properties of Trypanothione Reductase From T. brucei | PDB:2WBA | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [1] |
| PDB Sequence |
SKAFDLVVIG
11 AGSGGLEAGW21 NAATLYGKRV31 AVVDVQTSHG41 PPFYAALGGT51 CVNVGCVPKK 61 LMVTGAQYMD71 HLRESAGFGW81 EFDGSSVKAN91 WKKLIAAKNE101 AVLDINKSYE 111 GMFNDTEGLD121 FFLGWGSLES131 KNVVVVRETA141 DPKSAVKERL151 QADHILLATG 161 SWPQMPAIPG171 IEHCISSNEA181 FYLPEPPRRV191 LTVGGGFISV201 EFAGIFNAYK 211 PPGGKVTLCY221 RNNLILRGFD231 ETIREEVTKQ241 LTANGIEIMT251 NENPAKVSLN 261 TDGSKHVTFE271 SGKTLDVDVV281 MMAIGRIPRT291 NDLQLGNVGV301 KLTPKGGVQV 311 DEFSRTNVPN321 IYAIGDITDR331 LMLTPVAINE341 GAALVDTVFG351 NKPRKTDHTR 361 VASAVFSIPP371 IGTCGLIEEV381 AAKEFEKVAV391 YMSSFTPLMH401 NISGSKYKKF 411 VAKIVTNHSD421 GTVLGVHLLG431 DGAPEIIQAV441 GVCLRLNAKI451 SDFYNTIGVH 461 PTSAEELCSM471 RTPSYYYVKG481 EKMEKLPDS
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ILE10
3.381
GLY11
3.149
ALA12
4.055
GLY13
3.379
SER14
3.311
GLY15
2.855
GLY16
3.993
VAL34
3.534
ASP35
2.743
VAL36
3.778
ALA46
3.630
ALA47
3.053
LEU48
4.818
GLY49
4.860
GLY50
3.443
THR51
2.592
CYS52
3.540
VAL55
3.825
GLY56
3.716
CYS57
3.297
LYS60
2.745
GLY125
3.758
TRP126
3.707
GLY127
2.832
ALA159
3.292
THR160
3.426
GLY161
3.424
SER162
4.398
SER178
4.079
PHE182
4.228
PHE198
3.787
ILE199
3.919
GLU202
4.496
PHE203
4.204
ARG287
3.455
ARG290
3.401
ASP293
4.225
LEU294
3.998
ILE325
4.121
GLY326
3.192
ASP327
2.864
ILE328
4.650
MET333
3.196
LEU334
3.216
THR335
2.987
PRO336
3.319
ALA338
3.891
PHE367
4.376
|
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| Ligand Name: NADPH | Ligand Info | |||||
| Structure Description | Properties of Trypanothione Reductase From T. brucei | PDB:2WBA | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [1] |
| PDB Sequence |
SKAFDLVVIG
11 AGSGGLEAGW21 NAATLYGKRV31 AVVDVQTSHG41 PPFYAALGGT51 CVNVGCVPKK 61 LMVTGAQYMD71 HLRESAGFGW81 EFDGSSVKAN91 WKKLIAAKNE101 AVLDINKSYE 111 GMFNDTEGLD121 FFLGWGSLES131 KNVVVVRETA141 DPKSAVKERL151 QADHILLATG 161 SWPQMPAIPG171 IEHCISSNEA181 FYLPEPPRRV191 LTVGGGFISV201 EFAGIFNAYK 211 PPGGKVTLCY221 RNNLILRGFD231 ETIREEVTKQ241 LTANGIEIMT251 NENPAKVSLN 261 TDGSKHVTFE271 SGKTLDVDVV281 MMAIGRIPRT291 NDLQLGNVGV301 KLTPKGGVQV 311 DEFSRTNVPN321 IYAIGDITDR331 LMLTPVAINE341 GAALVDTVFG351 NKPRKTDHTR 361 VASAVFSIPP371 IGTCGLIEEV381 AAKEFEKVAV391 YMSSFTPLMH401 NISGSKYKKF 411 VAKIVTNHSD421 GTVLGVHLLG431 DGAPEIIQAV441 GVCLRLNAKI451 SDFYNTIGVH 461 PTSAEELCSM471 RTPSYYYVKG481 EKMEKLPDS
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Comparative structural, kinetic and inhibitor studies of Trypanosoma brucei trypanothione reductase with T. cruzi. Mol Biochem Parasitol. 2010 Jan;169(1):12-9. | ||||
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