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 | NADP+ | Ligand Info | |||
| Canonical SMILES | C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O)C(=O)N | ||||
| InChI | 1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 | ||||
| InChIKey | XJLXINKUBYWONI-NNYOXOHSSA-O | ||||
| PubChem Compound ID | 5886 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6E08 Crystal structure of G6PD in complex with structural NADP | ||||||
| Method | X-ray diffraction | Resolution | 1.90 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 RIDHYLGKEM207 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 KWVNPH
|
|||||
|
|
THR236
4.789
LYS238
2.774
ASN363
4.753
GLU364
4.023
LYS366
2.474
GLU368
4.156
ARG370
2.933
GLU389
4.262
VAL391
4.343
ARG393
2.709
ALA399
4.069
TYR401
2.605
|
|||||
| PDB ID: 6E07 Crystal structure of Canton G6PD in complex with structural NADP | ||||||
| Method | X-ray diffraction | Resolution | 2.60 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 RIDHYLGKEM207 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 LLEAWRIFTP467 LLHQIELEKP477 KPIPYIYGSR 487 GPTEADELMK497 RVGFQYEGTY507 KWVNPH
|
|||||
|
|
THR236
4.693
LYS238
2.829
ARG357
2.788
GLU364
3.842
LYS366
2.656
GLU368
4.563
ARG370
2.990
GLU389
4.552
VAL391
4.251
ARG393
2.950
ALA399
4.038
|
|||||
| PDB ID: 6VAQ Crystal structure of glucose-6-phosphate dehydrogenase V394L mutant in complex with catalytic NADP+ | ||||||
| Method | X-ray diffraction | Resolution | 2.95 Å | Mutation | Yes | [2] |
| PDB Sequence |
QSDTHIFIIM
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 LCLVAMEKPA277 STNSDDVRDE 287 KVKVLKCISE297 VQANNVVLGQ307 YVGNPDGEGE317 ATKGYLDDPT327 VPRGSTTATF 337 AAVVLYVENE347 RWDGVPFILR357 CGKALNERKA367 EVRLQFHDVA377 KRNELVIRLQ 395 PLPDAYERLI441 LDVFCGSQMH451 FVRSDELREA461 WRIFTPLLHQ471 IELEKPKPIP 481 YIYGSRGPTE491 ADELMKRVGF501 Q
|
|||||
|
|
GLY38
4.133
SER40
2.607
GLY41
3.144
ASP42
3.278
LEU43
2.966
ALA44
4.466
ALA71
3.496
ARG72
2.598
SER73
2.658
TYR107
4.703
TYR112
2.912
LEU140
4.678
|
|||||
| PDB ID: 6VA7 Crystal structure of glucose-6-phosphate dehydrogenase P396L mutant in complex with catalytic NADP+ | ||||||
| Method | X-ray diffraction | Resolution | 3.07 Å | Mutation | Yes | [2] |
| PDB Sequence |
QSDTHIFIIM
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 LCLVAMEKPA277 STNSDDVRDE 287 KVKVLKCISE297 VQANNVVLGQ307 YVGNPDGEGE317 ATKGYLDDPT327 VPRGSTTATF 337 AAVVLYVENE347 RWDGVPFILR357 CGKALNERKA367 EVRLQFHDVA377 KRNELVIRVQ 395 LNLPDAYERL440 ILDVFCGSQM450 HFVRSDELRE460 AWRIFTPLLH470 QIELEKPKPI 480 PYIYGSRGPT490 EADELMKRVG500 FQ
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:38 or .A:40 or .A:41 or .A:42 or .A:43 or .A:44 or .A:71 or .A:72 or .A:73 or .A:107 or .A:112 or .A:140 or .A:141 or .A:142 or .A:143 or .A:144 or .A:145 or .A:146 or .A:147 or .A:170 or .A:171 or .A:172 or .A:202 or .A:249 or .A:253 or .A:258; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY38
4.346
SER40
2.329
GLY41
3.334
ASP42
3.335
LEU43
2.406
ALA44
4.415
ALA71
3.306
ARG72
2.570
SER73
2.924
TYR107
4.716
TYR112
2.952
LEU140
4.660
ALA141
3.787
|
|||||
| PDB ID: 6VA0 Crystal structure of glucose-6-phosphate dehydrogenase W509A mutant in complex with catalytic NADP+ | ||||||
| Method | X-ray diffraction | Resolution | 3.10 Å | Mutation | Yes | [2] |
| PDB Sequence |
QSDTHIFIIM
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 LCLVAMEKPA277 STNSDDVRDE 287 KVKVLKCISE297 VQANNVVLGQ307 YVGNPDGEGE317 ATKGYLDDPT327 VPRGSTTATF 337 AAVVLYVENE347 RWDGVPFILR357 CGKALNERKA367 EVRLQFHDVA377 KRNELVIRVQ 395 PKLPDAYERL440 ILDVFCGSQM450 HFVRSDELRE460 AWRIFTPLLH470 QIELEKPKPI 480 PYIYGSRGPT490 EADELMKRVG500 FQY
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:38 or .A:40 or .A:41 or .A:42 or .A:43 or .A:44 or .A:71 or .A:72 or .A:73 or .A:107 or .A:112 or .A:140 or .A:141 or .A:142 or .A:143 or .A:144 or .A:145 or .A:146 or .A:147 or .A:170 or .A:171 or .A:172 or .A:202 or .A:249 or .A:258; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY38
4.229
SER40
2.744
GLY41
3.205
ASP42
3.426
LEU43
3.020
ALA44
4.556
ALA71
3.458
ARG72
2.387
SER73
2.983
TYR107
4.698
TYR112
2.999
LEU140
4.775
ALA141
3.641
|
|||||
| PDB ID: 7SEI Glucose-6-phosphate 1-dehydrogenase (K403Q) | ||||||
| Method | X-ray diffraction | Resolution | 3.65 Å | Mutation | Yes | [3] |
| PDB Sequence |
SDTHIFIIMG
38 ASGDLAKKKI48 YPTIWWLFRD58 GLLPENTFIV68 GYARSRLTVA78 DIRKQSEPFF 88 KATPEEKLKL98 EDFFARNSYV108 AGQYDDAASY118 QRLNSHMNAL128 HLGSQANRLF 138 YLALPPTVYE148 AVTKNIHESC158 MSQIGWNRII168 VEKPFGRDLQ178 SSDRLSNHIS 188 SLFREDQIYR198 IDHYLGKEMV208 QNLMVLRFAN218 RIFGPIWNRD228 NIACVILTFK 238 EPFGTEGRGG248 YFDEFGIIRD258 VMQNHLLQML268 CLVAMEKPAS278 TNSDDVRDEK 288 VKVLKCISEV298 QANNVVLGQY308 VGNPDGEGEA318 TKGYLDDPTV328 PRGSTTATFA 338 AVVLYVENER348 WDGVPFILRC358 GKALNERKAE368 VRLQFHDVAK386 RNELVIRVLP 434 DAYERLILDV444 FCGSQMHFVR454 SDELREAWRI464 FTPLLHQIEL474 EKPKPIPYIY 484 GSRGPTEADE494 LMKRVG
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:38 or .A:40 or .A:41 or .A:42 or .A:43 or .A:44 or .A:71 or .A:72 or .A:73 or .A:107 or .A:112 or .A:140 or .A:141 or .A:142 or .A:143 or .A:144 or .A:146 or .A:147 or .A:170 or .A:171 or .A:172 or .A:202 or .A:249 or .A:253 or .A:258; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY38
4.281
SER40
2.368
GLY41
3.120
ASP42
3.103
LEU43
2.991
ALA44
4.150
ALA71
3.037
ARG72
2.407
SER73
2.476
TYR107
4.694
TYR112
2.970
LEU140
4.590
ALA141
3.597
|
|||||
| PDB ID: 6VA8 Crystal structure of glucose-6-phosphate dehydrogenase F381L mutant in complex with catalytic NADP+ | ||||||
| Method | X-ray diffraction | Resolution | 3.95 Å | Mutation | Yes | [2] |
| PDB Sequence |
SDTHIFIIMG
38 ASGDLAKKKI48 YPTIWWLFRD58 GLLPENTFIV68 GYARSRLTVA78 DIRKQSEPFF 88 KATPEEKLKL98 EDFFARNSYV108 AGQYDDAASY118 QRLNSHMNAL128 HLGSQANRLF 138 YLALPPTVYE148 AVTKNIHESC158 MSQIGWNRII168 VEKPFGRDLQ178 SSDRLSNHIS 188 SLFREDQIYR198 IDHYLGKEMV208 QNLMVLRFAN218 RIFGPIWNRD228 NIACVILTFK 238 EPFGTEGRGG248 YFDEFGIIRD258 VMQNHLLQML268 CLVAMEKPAS278 TNSDDVRDEK 288 VKVLKCISEV298 QANNVVLGQY308 VGNPDGEGEA318 TKGYLDDPTV328 PRGSTTATFA 338 AVVLYVENER348 WDGVPFILRC358 GKALNERKAE368 VRLQFHDKRN388 ELVIRVLPDA 436 YERLILDVFC446 GSQMHFVRSD456 ELREAWRIFT466 PLLHQIELEK476 PKPIPYIYGS 486 RGPTEADELM496 KRVGFQ
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:38 or .A:40 or .A:41 or .A:42 or .A:43 or .A:44 or .A:71 or .A:72 or .A:73 or .A:112 or .A:140 or .A:141 or .A:142 or .A:143 or .A:144 or .A:145 or .A:146 or .A:147 or .A:170 or .A:171 or .A:172 or .A:202 or .A:249 or .A:253 or .A:258; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY38
4.685
SER40
2.347
GLY41
3.356
ASP42
3.463
LEU43
2.617
ALA44
4.492
ALA71
3.365
ARG72
2.396
SER73
3.169
TYR112
3.042
LEU140
4.893
ALA141
3.706
LEU142
2.352
|
|||||
| PDB ID: 6VA9 Crystal structure of glucose-6-phosphate dehydrogenase R393H mutant in complex with catalytic NADP+ | ||||||
| Method | X-ray diffraction | Resolution | 3.95 Å | Mutation | Yes | [2] |
| PDB Sequence |
SDTHIFIIMG
38 ASGDLAKKKI48 YPTIWWLFRD58 GLLPENTFIV68 GYARSRLTVA78 DIRKQSEPFF 88 KATPEEKLKL98 EDFFARNSYV108 AGQYDDAASY118 QRLNSHMNAL128 HLGSQANRLF 138 YLALPPTVYE148 AVTKNIHESC158 MSQIGWNRII168 VEKPFGRDLQ178 SSDRLSNHIS 188 SLFREDQIYR198 IDHYLGKEMV208 QNLMVLRFAN218 RIFGPIWNRD228 NIACVILTFK 238 EPFGTEGRGG248 YFDEFGIIRD258 VMQNHLLQML268 CLVAMEKPAS278 TNSDDVRDEK 288 VKVLKCISEV298 QANNVVLGQY308 VGNPDGEGEA318 TKGYLDDPTV328 PRGSTTATFA 338 AVVLYVENER348 WDGVPFILRC358 GKALNERKAE368 VRLQFHDVAG378 DIKRNELVIH 393 VLPDAYERLI441 LDVFCGSQMH451 FVRSDELREA461 WRIFTPLLHQ471 IELEKPKPIP 481 YIYGSRGPTE491 ADELMKRVGF501 Q
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:38 or .A:40 or .A:41 or .A:42 or .A:43 or .A:44 or .A:71 or .A:72 or .A:73 or .A:107 or .A:112 or .A:140 or .A:141 or .A:142 or .A:143 or .A:144 or .A:145 or .A:146 or .A:147 or .A:170 or .A:171 or .A:172 or .A:202 or .A:249 or .A:253 or .A:258; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY38
4.333
SER40
2.332
GLY41
3.340
ASP42
3.398
LEU43
2.368
ALA44
4.466
ALA71
3.311
ARG72
2.547
SER73
3.032
TYR107
4.797
TYR112
3.080
LEU140
4.961
ALA141
3.908
|
|||||
| PDB ID: 1QKI X-RAY STRUCTURE OF HUMAN GLUCOSE 6-PHOSPHATE DEHYDROGENASE (VARIANT CANTON R459L) COMPLEXED WITH STRUCTURAL NADP+ | ||||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | Yes | [4] |
| PDB Sequence |
VCGHQSDTHI
33 FIIMGASGDL43 AKKKIYPTIW53 WLFRDGLLPE63 NTFIVGYARS73 RLTVADIRKQ 83 SEPFFKATPE93 EKLKLEDFFA103 RNSYVAGQYD113 DAASYQRLNS123 HMNALHLGSQ 133 ANRLFYLALP143 PTVYEAVTKN153 IHESCMSQIG163 WNRIIVEKPF173 GRDLQSSDRL 183 SNHISSLFRE193 DQIYRIDHYL203 GKEMVQNLMV213 LRFANRIFGP223 IWNRDNIACV 233 ILTFKEPFGT243 EGRGGYFDEF253 GIIRDVMQNH263 LLQMLCLVAM273 EKPASTNSDD 283 VRDEKVKVLK293 CISEVQANNV303 VLGQYVGNPD313 GEGEATKGYL323 DDPTVPRGST 333 TATFAAVVLY343 VENERWDGVP353 FILRCGKALN363 ERKAEVRLQF373 HDVAGDIFHQ 383 QCKRNELVIR393 VQPNEAVYTK403 MMTKKPGMFF413 NPEESELDLT423 YGNRYKNVKL 433 PDAYERLILD443 VFCGSQMHFV453 RSDELLEAWR463 IFTPLLHQIE473 LEKPKPIPYI 483 YGSRGPTEAD493 ELMKRVGFQY503 EGTYKWVN
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:236 or .A:238 or .A:357 or .A:363 or .A:364 or .A:366 or .A:368 or .A:370 or .A:391 or .A:393 or .A:399 or .A:401 or .A:403 or .A:419 or .A:421 or .A:423 or .A:487 or .A:493 or .A:496 or .A:501 or .A:503 or .A:504 or .A:507 or .A:509; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
THR236
4.380
LYS238
2.819
ARG357
3.181
ASN363
4.859
GLU364
3.926
LYS366
2.923
GLU368
4.014
ARG370
2.819
VAL391
4.757
ARG393
3.209
ALA399
3.842
TYR401
2.834
|
|||||
| PDB ID: 7SEH Glucose-6-phosphate 1-dehydrogenase (K403QdLtL) | ||||||
| Method | X-ray diffraction | Resolution | 2.90 Å | Mutation | Yes | [3] |
| PDB Sequence |
QSDTHIFIIM
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 YVGNPDGEGE317 ATKGYLDDPT327 VPRGSTTATF 337 AAVVLYVENE347 RWDGVPFILR357 CGKALNERKA367 EVRLQFHDVI380 FHQQCKRNEL 390 VIRVAVYTQM404 MTLPDAYERL440 ILDVFCGSQM450 HFVRSDELRE460 AWRIFTPLLH 470 QIELEKPKPI480 PYIYGSRGPT490 EADELMKRVG500 FQ
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:38 or .A:40 or .A:41 or .A:42 or .A:43 or .A:44 or .A:71 or .A:72 or .A:73 or .A:112 or .A:141 or .A:142 or .A:143 or .A:144 or .A:145 or .A:146 or .A:147 or .A:170 or .A:171 or .A:172 or .A:202 or .A:246 or .A:249 or .A:258; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY38
4.088
SER40
2.648
GLY41
2.877
ASP42
3.319
LEU43
2.970
ALA44
4.664
ALA71
3.515
ARG72
2.908
SER73
2.633
TYR112
2.897
ALA141
3.513
LEU142
2.627
|
|||||
| PDB ID: 7SNH Structure of G6PD-D200N tetramer bound to NADP+ | ||||||
| Method | Electron microscopy | Resolution | 2.20 Å | Mutation | No | [5] |
| PDB Sequence |
QSDTHIFIIM
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 LCLVAMEKPA277 STNSDDVRDE 287 KVKVLKCISE297 VQANNVVLGQ307 YVGNPDGEGE317 ATKGYLDDPT327 VPRGSTTATF 337 AAVVLYVENE347 RWDGVPFILR357 CGKALNERKA367 EVRLQFHDVA377 GDIFHQQCKR 387 NELVIRVQPN397 EAVYTKMMTK407 KPGMFFNPEE417 SELDLTYLPD435 AYERLILDVF 445 CGSQMHFVRS455 DELREAWRIF465 TPLLHQIELE475 KPKPIPYIYG485 SRGPTEADEL 495 MKRVGFQYEG505 TYKWVN
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:38 or .A:40 or .A:41 or .A:42 or .A:43 or .A:44 or .A:71 or .A:72 or .A:73 or .A:107 or .A:112 or .A:140 or .A:141 or .A:142 or .A:143 or .A:144 or .A:145 or .A:146 or .A:147 or .A:170 or .A:171 or .A:172 or .A:236 or .A:238 or .A:249 or .A:357 or .A:363 or .A:364 or .A:366 or .A:368 or .A:370 or .A:389 or .A:391 or .A:393 or .A:399 or .A:401 or .A:403 or .A:419 or .A:421 or .A:487 or .A:493 or .A:501 or .A:503 or .A:504 or .A:507 or .A:509; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY38
3.921
SER40
2.642
GLY41
2.954
ASP42
3.042
LEU43
3.232
ALA44
4.655
ALA71
3.195
ARG72
2.692
SER73
2.747
TYR107
4.730
TYR112
2.800
LEU140
4.881
ALA141
3.433
LEU142
2.884
PRO143
3.412
PRO144
3.215
THR145
4.351
VAL146
3.718
TYR147
4.547
GLU170
3.125
LYS171
2.791
PRO172
3.590
THR236
4.379
LYS238
2.902
TYR249
3.477
ARG357
4.843
ASN363
4.793
GLU364
3.959
LYS366
2.552
GLU368
4.435
ARG370
3.147
GLU389
4.494
VAL391
4.374
ARG393
2.972
ALA399
3.878
TYR401
2.847
LYS403
3.364
GLU419
4.282
ASP421
2.515
ARG487
2.851
ASP493
3.428
PHE501
3.543
TYR503
3.071
GLU504
4.166
TYR507
3.162
TRP509
3.322
|
|||||
| PDB ID: 7SNI Structure of G6PD-D200N tetramer bound to NADP+ and G6P | ||||||
| Method | Electron microscopy | Resolution | 2.50 Å | Mutation | No | [5] |
| 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:38 or .A:40 or .A:41 or .A:42 or .A:43 or .A:44 or .A:71 or .A:72 or .A:73 or .A:112 or .A:140 or .A:141 or .A:142 or .A:143 or .A:144 or .A:145 or .A:146 or .A:147 or .A:170 or .A:171 or .A:172 or .A:236 or .A:238 or .A:357 or .A:364 or .A:366 or .A:368 or .A:370 or .A:389 or .A:391 or .A:393 or .A:397 or .A:399 or .A:401 or .A:403 or .A:419 or .A:421 or .A:423 or .A:437 or .A:487 or .A:493 or .A:496 or .A:501 or .A:503 or .A:507 or .A:509; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY38
4.472
SER40
2.422
GLY41
2.919
ASP42
2.773
LEU43
2.701
ALA44
4.532
ALA71
3.211
ARG72
2.436
SER73
3.209
TYR112
2.768
LEU140
4.787
ALA141
3.263
LEU142
2.391
PRO143
3.195
PRO144
3.747
THR145
4.445
VAL146
3.570
TYR147
4.094
GLU170
3.007
LYS171
2.707
PRO172
3.320
THR236
4.309
LYS238
2.929
ARG357
2.663
GLU364
3.573
LYS366
2.503
GLU368
3.778
ARG370
2.485
GLU389
4.680
VAL391
4.609
ARG393
3.189
ASN397
4.201
ALA399
3.394
TYR401
2.613
LYS403
2.879
GLU419
4.138
ASP421
2.418
THR423
3.450
TYR437
4.034
ARG487
2.513
ASP493
3.123
MET496
3.320
PHE501
3.564
TYR503
3.437
TYR507
3.267
TRP509
3.311
|
|||||
| PDB ID: 7UC2 Structure of G6PD-D200N tetramer bound to NADP+ with no symmetry applied | ||||||
| Method | Electron microscopy | Resolution | 2.50 Å | Mutation | Yes | [5] |
| PDB Sequence |
SDTHIFIIMG
38 ASGDLAKKKI48 YPTIWWLFRD58 GLLPENTFIV68 GYARSRLTVA78 DIRKQSEPFF 88 KATPEEKLKL98 EDFFARNSYV108 AGQYDDAASY118 QRLNSHMNAL128 HLGSQANRLF 138 YLALPPTVYE148 AVTKNIHESC158 MSQIGWNRII168 VEKPFGRDLQ178 SSDRLSNHIS 188 SLFREDQIYR198 INHYLGKEMV208 QNLMVLRFAN218 RIFGPIWNRD228 NIACVILTFK 238 EPFGTEGRGG248 YFDEFGIIRD258 VMQNHLLQML268 CLVAMEKPAS278 TNSDDVRDEK 288 VKVLKCISEV298 QANNVVLGQY308 VGNPDGEGEA318 TKGYLDDPTV328 PRGSTTATFA 338 AVVLYVENER348 WDGVPFILRC358 GKALNERKAE368 VRLQFHDVAG378 DIFHQQCKRN 388 ELVIRVQPNE398 AVYTKMMTKK408 PGMFFNPEES418 ELDLTYLPDA436 YERLILDVFC 446 GSQMHFVRSD456 ELREAWRIFT466 PLLHQIELEK476 PKPIPYIYGS486 RGPTEADELM 496 KRVGFQYEGT506 YKWVN
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:38 or .A:40 or .A:41 or .A:42 or .A:43 or .A:44 or .A:71 or .A:72 or .A:73 or .A:107 or .A:112 or .A:141 or .A:142 or .A:143 or .A:144 or .A:145 or .A:146 or .A:147 or .A:170 or .A:171 or .A:172 or .A:236 or .A:238 or .A:249 or .A:357 or .A:363 or .A:364 or .A:366 or .A:368 or .A:370 or .A:389 or .A:391 or .A:393 or .A:399 or .A:401 or .A:403 or .A:419 or .A:421 or .A:487 or .A:493 or .A:496 or .A:501 or .A:503 or .A:504 or .A:505 or .A:507 or .A:509; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY38
4.214
SER40
2.920
GLY41
3.182
ASP42
2.908
LEU43
3.200
ALA44
4.480
ALA71
3.589
ARG72
2.842
SER73
2.369
TYR107
4.801
TYR112
2.523
ALA141
3.348
LEU142
3.054
PRO143
3.599
PRO144
3.620
THR145
4.351
VAL146
3.772
TYR147
4.347
GLU170
3.555
LYS171
3.247
PRO172
3.663
THR236
4.591
LYS238
2.684
TYR249
3.038
ARG357
2.895
ASN363
4.639
GLU364
4.204
LYS366
2.302
GLU368
4.500
ARG370
3.276
GLU389
4.330
VAL391
4.739
ARG393
3.133
ALA399
4.060
TYR401
2.745
LYS403
3.337
GLU419
4.752
ASP421
3.318
ARG487
2.982
ASP493
3.484
MET496
4.366
PHE501
3.536
TYR503
3.073
GLU504
4.524
GLY505
4.629
TYR507
3.307
TRP509
3.385
|
|||||
| 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 | [5] |
| 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:38 or .A:40 or .A:41 or .A:42 or .A:43 or .A:44 or .A:46 or .A:71 or .A:72 or .A:73 or .A:112 or .A:141 or .A:142 or .A:143 or .A:144 or .A:145 or .A:146 or .A:170 or .A:171 or .A:172 or .A:236 or .A:238 or .A:357 or .A:363 or .A:364 or .A:366 or .A:368 or .A:370 or .A:389 or .A:393 or .A:397 or .A:399 or .A:401 or .A:403 or .A:419 or .A:421 or .A:423 or .A:437 or .A:487 or .A:493 or .A:496 or .A:501 or .A:503 or .A:505 or .A:507 or .A:509; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY38
4.891
SER40
2.619
GLY41
3.152
ASP42
3.379
LEU43
2.739
ALA44
4.674
LYS46
3.078
ALA71
3.268
ARG72
2.657
SER73
3.083
TYR112
2.716
ALA141
3.526
LEU142
2.710
PRO143
3.230
PRO144
3.637
THR145
4.691
VAL146
3.742
GLU170
3.551
LYS171
3.035
PRO172
3.323
THR236
4.272
LYS238
2.704
ARG357
2.461
ASN363
4.680
GLU364
3.775
LYS366
2.365
GLU368
4.074
ARG370
2.662
GLU389
4.400
ARG393
2.433
ASN397
3.708
ALA399
3.332
TYR401
3.121
LYS403
2.669
GLU419
4.301
ASP421
2.628
THR423
3.204
TYR437
3.945
ARG487
2.424
ASP493
3.188
MET496
4.490
PHE501
3.461
TYR503
3.277
GLY505
4.991
TYR507
3.150
TRP509
3.369
|
|||||
| PDB ID: 2BH9 X-RAY STRUCTURE OF A DELETION VARIANT OF HUMAN GLUCOSE 6-PHOSPHATE DEHYDROGENASE COMPLEXED WITH STRUCTURAL AND COENZYME NADP | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | Yes | [6] |
| 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 KRVGFQYEGT506 YKWVNPHKL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:38 or .A:39 or .A:40 or .A:41 or .A:42 or .A:43 or .A:44 or .A:47 or .A:71 or .A:72 or .A:73 or .A:112 or .A:140 or .A:141 or .A:142 or .A:143 or .A:144 or .A:145 or .A:146 or .A:147 or .A:170 or .A:171 or .A:172 or .A:236 or .A:238 or .A:357 or .A:363 or .A:364 or .A:366 or .A:368 or .A:370 or .A:389 or .A:391 or .A:393 or .A:399 or .A:401 or .A:403 or .A:419 or .A:421 or .A:422 or .A:423 or .A:437 or .A:487 or .A:493 or .A:496 or .A:501 or .A:503 or .A:507 or .A:509; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY38
3.454
ALA39
4.721
SER40
2.479
GLY41
2.854
ASP42
3.242
LEU43
2.921
ALA44
4.970
LYS47
4.595
ALA71
3.932
ARG72
2.644
SER73
2.886
TYR112
3.298
LEU140
4.218
ALA141
3.328
LEU142
2.741
PRO143
3.187
PRO144
4.344
THR145
4.762
VAL146
4.625
TYR147
3.004
GLU170
3.085
LYS171
2.994
PRO172
4.048
THR236
4.771
LYS238
3.360
ARG357
4.983
ASN363
4.954
GLU364
4.436
LYS366
2.666
GLU368
4.767
ARG370
2.532
GLU389
4.819
VAL391
4.468
ARG393
2.991
ALA399
3.717
TYR401
2.562
LYS403
3.177
GLU419
4.568
ASP421
2.489
LEU422
4.970
THR423
3.228
TYR437
4.362
ARG487
3.010
ASP493
3.484
MET496
3.751
PHE501
3.401
TYR503
3.307
TYR507
3.330
TRP509
3.254
|
|||||
| PDB ID: 6JYU Crystal structure of Human G6PD Canton | ||||||
| Method | X-ray diffraction | Resolution | 1.89 Å | Mutation | Yes | [7] |
| PDB Sequence |
SDTHIFIIMG
38 ASGDLAKKKI48 YPTIWWLFRD58 GLLPENTFIV68 GYARSRLTVA78 DIRKQSEPFF 88 KATPEEKLKL98 EDFFARNSYV108 AGQYDDAASY118 QRLNSHMNAL128 HLGSQANRLF 138 YLALPPTVYE148 AVTKNIHESC158 MSQIGWNRII168 VEKPFGRDLQ178 SSDRLSNHIS 188 SLFREDQIYR198 IDHYLGKEMV208 QNLMVLRFAN218 RIFGPIWNRD228 NIACVILTFK 238 EPFGTEGRGG248 YFDEFGIIRD258 VMQNHLLQML268 CLVAMEKPAS278 TNSDDVRDEK 288 VKVLKCISEV298 QANNVVLGQY308 VGNPDGEGEA318 TKGYLDDPTV328 PRGSTTATFA 338 AVVLYVENER348 WDGVPFILRC358 GKALNERKAE368 VRLQFHDVAG378 DIFHQQCKRN 388 ELVIRVQPNE398 AVYTKMMTKK408 PGMFFNPEES418 ELDLTYGNRY428 KNVKLPDAYE 438 RLILDVFCGS448 QMHFVRSDEL458 LEAWRIFTPL468 LHQIELEKPK478 PIPYIYGSRG 488 PTEADELMKR498 VGFQYEGTYK508 WVNPH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:236 or .A:238 or .A:363 or .A:364 or .A:366 or .A:368 or .A:370 or .A:389 or .A:391 or .A:393 or .A:397 or .A:399 or .A:401 or .A:403 or .A:419 or .A:421 or .A:422 or .A:423 or .A:487 or .A:493 or .A:496 or .A:501 or .A:503 or .A:507 or .A:509; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
THR236
4.607
LYS238
2.466
ASN363
4.492
GLU364
3.574
LYS366
2.482
GLU368
4.218
ARG370
2.857
GLU389
4.139
VAL391
4.389
ARG393
2.727
ASN397
3.691
ALA399
3.894
TYR401
2.510
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Correcting glucose-6-phosphate dehydrogenase deficiency with a small-molecule activator. Nat Commun. 2018 Oct 2;9(1):4045. | ||||
| REF 2 | Long-range structural defects by pathogenic mutations in most severe glucose-6-phosphate dehydrogenase deficiency. Proc Natl Acad Sci U S A. 2021 Jan 26;118(4):e2022790118. | ||||
| REF 3 | Stabilization of glucose-6-phosphate dehydrogenase oligomers enhances catalytic activity and stability of clinical?variants. J Biol Chem. 2022 Mar;298(3):101610. | ||||
| REF 4 | Human glucose-6-phosphate dehydrogenase: the crystal structure reveals a structural NADP(+) molecule and provides insights into enzyme deficiency. Structure. 2000 Mar 15;8(3):293-303. | ||||
| REF 5 | 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 6 | 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 7 | Crystal structure of Human G6PD Canton | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.