Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T84581 | Target Info | |||
| Target Name | Cytoplasmic thioredoxin reductase (TXNRD1) | ||||
| Synonyms | Thioredoxin reductase TR1; Thioredoxin reductase 1, cytoplasmic; KM-102-derived reductase-like factor; KDRF; Gene associated with retinoic and interferon-induced mortality 12 protein; Gene associated with retinoic and IFN-induced mortality 12 protein; GRIM12; GRIM-12 | ||||
| Target Type | Successful Target | ||||
| Gene Name | TXNRD1 | ||||
| Biochemical Class | Sulfur donor oxidoreductase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Flavin-Adenine Dinucleotide | Ligand Info | |||||
| Structure Description | Crystal structure of the human thioredoxin reductase-thioredoxin complex | PDB:3QFA | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | Yes | [1] |
| PDB Sequence |
DLPKSYDYDL
15 IIIGGGSGGL25 AAAKEAAQYG35 KKVMVLDFVT45 PTPLGTRWGL55 GGTCVNVGCI 65 PKKLMHQAAL75 LGQALQDSRN85 YGWKVEETVK95 HDWDRMIEAV105 QNHIGSLNWG 115 YRVALREKKV125 VYENAYGQFI135 GPHRIKATNN145 KGKEKIYSAE155 RFLIATGERP 165 RYLGIPGDKE175 YCISSDDLFS185 LPYCPGKTLV195 VGASYVALEC205 AGFLAGIGLD 215 VTVMVRSILL225 RGFDQDMANK235 IGEHMEEHGI245 KFIRQFVPIK255 VEQIEAGTPG 265 RLRVVAQSTN275 SEEIIEGEYN285 TVMLAIGRDA295 CTRKIGLETV305 GVKINEKTGK 315 IPVTDEEQTN325 VPYIYAIGDI335 LEDKVELTPV345 AIQAGRLLAQ355 RLYAGSTVKC 365 DYENVPTTVF375 TPLEYGACGL385 SEEKAVEKFG395 EENIEVYHSY405 FWPLEWTIPS 415 RDNNKCYAKI425 ICNTKDNERV435 VGFHVLGPNA445 GEVTQGFAAA455 LKCGLTKKQL 465 DSTIGIHPVC475 AEVFTTLSVT485 KRSGASILQA495 GSCG
|
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ILE18
3.490
GLY19
3.043
GLY20
3.725
GLY21
3.281
SER22
3.253
GLY23
2.858
GLY24
4.143
LEU41
3.392
ASP42
2.579
PHE43
2.662
VAL44
3.854
THR45
4.945
GLY56
4.616
GLY57
3.726
THR58
2.824
CYS59
3.185
VAL62
3.537
GLY63
3.452
CYS64
3.314
LYS67
2.723
ALA130
3.665
TYR131
3.048
GLY132
2.804
ALA160
3.356
THR161
3.105
GLY162
3.436
GLU163
4.187
SER180
3.548
PHE184
3.778
TYR200
3.328
VAL201
3.635
GLU204
4.579
ARG293
3.229
CYS296
4.391
ILE300
3.395
ILE332
4.151
GLY333
2.983
ASP334
2.766
ILE335
4.782
GLU341
3.200
LEU342
3.424
THR343
3.199
PRO344
3.330
ALA346
3.754
THR373
4.967
PHE375
3.994
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: NADP+ | Ligand Info | |||||
| Structure Description | Crystal structure of NADP(H):human thioredoxin reductase I | PDB:2ZZC | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [2] |
| PDB Sequence |
SYDYDLIIIG
19 GGSGGLAAAK29 EAAQYGKKVM39 VLDFVTPTPL49 GTRWGLGGTC59 VNVGCIPKKL 69 MHQAALLGQA79 LQDSRNYGWK89 VEETVKHDWD99 RMIEAVQNHI109 GSLNWGYRVA 119 LREKKVVYEN129 AYGQFIGPHR139 IKATNNKGKE149 KIYSAERFLI159 ATGERPRYLG 169 IPGDKEYCIS179 SDDLFSLPYC189 PGKTLVVGAS199 YVALECAGFL209 AGIGLDVTVM 219 VRSILLRGFD229 QDMANKIGEH239 MEEHGIKFIR249 QFVPIKVEQI259 EAGTPGRLRV 269 VAQSTNSEEI279 IEGEYNTVML289 AIGRDACTRK299 IGLETVGVKI309 NEKTGKIPVT 319 DEEQTNVPYI329 YAIGDILEDK339 VELTPVAIQA349 GRLLAQRLYA359 GSTVKCDYEN 369 VPTTVFTPLE379 YGACGLSEEK389 AVEKFGEENI399 EVYHSYFWPL409 EWTIPSRDNN 419 KCYAKIICNT429 KDNERVVGFH439 VLGPNAGEVT449 QGFAAALKCG459 LTKKQLDSTI 469 GIHPVCAEVF479 TTLSVTKRSG489 ASILQ
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LYS67
3.668
ARG166
4.473
LEU168
2.792
VAL196
3.783
GLY197
3.926
ALA198
3.014
SER199
3.185
TYR200
3.127
VAL201
3.362
ALA202
4.567
GLU204
3.001
ARG221
3.053
SER222
2.791
ILE223
4.002
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structure of the human thioredoxin reductase-thioredoxin complex. Nat Commun. 2011 Jul 12;2:383. | ||||
| REF 2 | Terpyridine-platinum(II) complexes are effective inhibitors of mammalian topoisomerases and human thioredoxin reductase 1. J Inorg Biochem. 2009 Jul;103(7):1082-92. | ||||
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