Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T63484 | Target Info | |||
| Target Name | Glucose-6-phosphate dehydrogenase (G6PD) | ||||
| Synonyms | Glucose-6-phosphate 1-dehydrogenase | ||||
| Target Type | Successful Target | ||||
| Gene Name | G6PD | ||||
| Biochemical Class | CH-OH donor oxidoreductase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | beta-D-glucose-6-phosphate | Ligand Info | |||
| Canonical SMILES | C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O | ||||
| InChI | 1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1 | ||||
| InChIKey | NBSCHQHZLSJFNQ-VFUOTHLCSA-N | ||||
| PubChem Compound ID | 439427 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7SNI Structure of G6PD-D200N tetramer bound to NADP+ and G6P | ||||||
| Method | Electron microscopy | Resolution | 2.50 Å | Mutation | No | [1] |
| PDB Sequence |
QSDTHIFIIM
37 GASGDLAKKK47 IYPTIWWLFR57 DGLLPENTFI67 VGYARSRLTV77 ADIRKQSEPF 87 FKATPEEKLK97 LEDFFARNSY107 VAGQYDDAAS117 YQRLNSHMNA127 LHLGSQANRL 137 FYLALPPTVY147 EAVTKNIHES157 CMSQIGWNRI167 IVEKPFGRDL177 QSSDRLSNHI 187 SSLFREDQIY197 RINHYLGKEM207 VQNLMVLRFA217 NRIFGPIWNR227 DNIACVILTF 237 KEPFGTEGRG247 GYFDEFGIIR257 DVMQNHLLQM267 LCLVAMEKPA277 STNSDDVRDE 287 KVKVLKCISE297 VQANNVVLGQ307 YVGNPDGEGE317 ATKGYLDDPT327 VPRGSTTATF 337 AAVVLYVENE347 RWDGVPFILR357 CGKALNERKA367 EVRLQFHDVA377 GDIFHQQCKR 387 NELVIRVQPN397 EAVYTKMMTK407 KPGMFFNPEE417 SELDLTYGNR427 YKNVKLPDAY 437 ERLILDVFCG447 SQMHFVRSDE457 LREAWRIFTP467 LLHQIELEKP477 KPIPYIYGSR 487 GPTEADELMK497 RVGFQYEGTY507 KWVNPHKL
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| PDB ID: 7UAL Structure of G6PD-D200N tetramer bound to NADP+ and G6P with no symmetry applied | ||||||
| Method | Electron microscopy | Resolution | 2.90 Å | Mutation | Yes | [1] |
| PDB Sequence |
QSDTHIFIIM
37 GASGDLAKKK47 IYPTIWWLFR57 DGLLPENTFI67 VGYARSRLTV77 ADIRKQSEPF 87 FKATPEEKLK97 LEDFFARNSY107 VAGQYDDAAS117 YQRLNSHMNA127 LHLGSQANRL 137 FYLALPPTVY147 EAVTKNIHES157 CMSQIGWNRI167 IVEKPFGRDL177 QSSDRLSNHI 187 SSLFREDQIY197 RINHYLGKEM207 VQNLMVLRFA217 NRIFGPIWNR227 DNIACVILTF 237 KEPFGTEGRG247 GYFDEFGIIR257 DVMQNHLLQM267 LCLVAMEKPA277 STNSDDVRDE 287 KVKVLKCISE297 VQANNVVLGQ307 YVGNPDGEGE317 ATKGYLDDPT327 VPRGSTTATF 337 AAVVLYVENE347 RWDGVPFILR357 CGKALNERKA367 EVRLQFHDVA377 GDIFHQQCKR 387 NELVIRVQPN397 EAVYTKMMTK407 KPGMFFNPEE417 SELDLTYGNR427 YKNVKLPDAY 437 ERLILDVFCG447 SQMHFVRSDE457 LREAWRIFTP467 LLHQIELEKP477 KPIPYIYGSR 487 GPTEADELMK497 RVGFQYEGTY507 KWVN
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| PDB ID: 2BHL X-RAY STRUCTURE OF HUMAN GLUCOSE-6-PHOSPHATE DEHYDROGENASE (DELETION VARIANT) COMPLEXED WITH GLUCOSE-6-PHOSPHATE | ||||||
| Method | X-ray diffraction | Resolution | 2.90 Å | Mutation | No | [2] |
| PDB Sequence |
VQSDTHIFII
36 MGASGDLAKK46 KIYPTIWWLF56 RDGLLPENTF66 IVGYARSRLT76 VADIRKQSEP 86 FFKATPEEKL96 KLEDFFARNS106 YVAGQYDDAA116 SYQRLNSHMN126 ALHLGSQANR 136 LFYLALPPTV146 YEAVTKNIHE156 SCMSQIGWNR166 IIVEKPFGRD176 LQSSDRLSNH 186 ISSLFREDQI196 YRIDHYLGKE206 MVQNLMVLRF216 ANRIFGPIWN226 RDNIACVILT 236 FKEPFGTEGR246 GGYFDEFGII256 RDVMQNHLLQ266 MLCLVAMEKP276 ASTNSDDVRD 286 EKVKVLKCIS296 EVQANNVVLG306 QYVGNPDGEG316 EATKGYLDDP326 TVPRGSTTAT 336 FAAVVLYVEN346 ERWDGVPFIL356 RCGKALNERK366 AEVRLQFHDV376 AGDIFHQQCK 386 RNELVIRVQP396 NEAVYTKMMT406 KKPGMFFNPE416 ESELDLTYGN426 RYKNVKLPDA 436 YERLILDVFC446 GSQMHFVRSD456 ELREAWRIFT466 PLLHQIELEK476 PKPIPYIYGS 486 RGPTEADELM496 KRVGFQYEG
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| PDB ID: 5UKW Crystal structure of human Glucose 6-phosphate Dehydrogenase mutant (A277C) complexed with G6P | ||||||
| Method | X-ray diffraction | Resolution | 2.65 Å | Mutation | Yes | [3] |
| PDB Sequence |
FSDTHIFIIM
37 GASGDLAKKK47 IYPTIWWLFR57 DGLLPENTFI67 VGYARSRLTV77 ADIRKQSEPF 87 FKATPEEKLK97 LEDFFARNSY107 VAGQYDDAAS117 YQRLNSHMNA127 LHLGSQANRL 137 FYLALPPTVY147 EAVTKNIHES157 CMSQIGWNRI167 IVEKPFGRDL177 QSSDRLSNHI 187 SSLFREDQIY197 RIDHYLGKEM207 VQNLMVLRFA217 NRIFGPIWNR227 DNIACVILTF 237 KEPFGTEGRG247 GYFDEFGIIR257 DVMQNHLLQM267 LCLVAMEKPC277 STNSDDVRDE 287 KVKVLKCISE297 VQANNVVLGQ307 YVGNPDGGEA318 TKGYLDDPTV328 PRGSTTATFA 338 AVVLYVENER348 WDGVPFILRC358 GKALNERKAE368 VRLQFHDVAG378 DIFHQQCKRN 388 ELVIRVQPNE398 AVYTKMMTKK408 PGMFFNPEES418 ELDLTYGNRY428 KNVKLPDAYE 438 RLILDVFCGS448 QMHFVRSDEL458 REAWRIFTPL468 LHQIELEKPK478 PIPYIYGSRG 488 PTEADELMKR498 VGFQYE
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Click to Show 3D Structure of This Binding Site
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Allosteric role of a structural NADP(+) molecule in glucose-6-phosphate dehydrogenase activity. Proc Natl Acad Sci U S A. 2022 Jul 19;119(29):e2119695119. | ||||
| REF 2 | Structural studies of glucose-6-phosphate and NADP+ binding to human glucose-6-phosphate dehydrogenase. Acta Crystallogr D Biol Crystallogr. 2005 May;61(Pt 5):495-504. | ||||
| REF 3 | Mutations in the tetramer interface of human glucose-6-phosphate dehydrogenase reveals kinetic differences between oligomeric states. FEBS Lett. 2017 May;591(9):1278-1284. | ||||
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