Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T39321 | Target Info | |||
| Target Name | Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) | ||||
| Synonyms | Peptidyl-cysteine S-nitrosylase GAPDH; OK/SW-cl.12; GAPD; D-glyceraldehyde-3-phosphate dehydrogenase; CDABP0047 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | GAPDH | ||||
| Biochemical Class | Aldehyde/oxo donor oxidoreductase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | 3,6,9,12,15,18,21,24,27-Nonaoxanonacosane-1,29-diol | Ligand Info | |||
| Canonical SMILES | C(COCCOCCOCCOCCOCCOCCOCCOCCOCCO)O | ||||
| InChI | 1S/C20H42O11/c21-1-3-23-5-7-25-9-11-27-13-15-29-17-19-31-20-18-30-16-14-28-12-10-26-8-6-24-4-2-22/h21-22H,1-20H2 | ||||
| InChIKey | DTPCFIHYWYONMD-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 79689 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6YND GAPDH purified from the supernatant of HEK293F cells: crystal form 1 of 4. | ||||||
| Method | X-ray diffraction | Resolution | 1.52 Å | Mutation | No | [1] |
| PDB Sequence |
GKVKVGVNGF
11 GRIGRLVTRA21 AFNSGKVDIV31 AINDPFIDLN41 YMVYMFQYDS51 THGKFHGTVK 61 AENGKLVING71 NPITIFQERD81 PSKIKWGDAG91 AEYVVESTGV101 FTTMEKAGAH 111 LQGGAKRVII121 SAPSADAPMF131 VMGVNHEKYD141 NSLKIISNAS151 TTNCLAPLAK 162 VIHDNFGIVE172 GLMTTVHAIT182 ATQKTVDGPS192 GKLWRDGRGA202 LQNIIPASTG 212 AAKAVGKVIP222 ELNGKLTGMA232 FRVPTANVSV242 VDLTCRLEKP252 AKYDDIKKVV 262 KQASEGPLKG272 ILGYTEHQVV282 SSDFNSDTHS292 STFDAGAGIA302 LNDHFVKLIS 312 WYDNEFGYSN322 RVVDLMAHMA332 SKE
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| PDB ID: 6YNE GAPDH purified from the supernatant of HEK293F cells: crystal form 2 of 4. | ||||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [1] |
| PDB Sequence |
GKVKVGVNGF
11 GRIGRLVTRA21 AFNSGKVDIV31 AINDPFIDLN41 YMVYMFQYDS51 THGKFHGTVK 61 AENGKLVING71 NPITIFQERD81 PSKIKWGDAG91 AEYVVESTGV101 FTTMEKAGAH 111 LQGGAKRVII121 SAPSADAPMF131 VMGVNHEKYD141 NSLKIISNAS151 CTTNCLAPLA 161 KVIHDNFGIV171 EGLMTTVHAI181 TATQKTVDGP191 SGKLWRDGRG201 ALQNIIPAST 211 GAAKAVGKVI221 PELNGKLTGM231 AFRVPTANVS241 VVDLTCRLEK251 PAKYDDIKKV 261 VKQASEGPLK271 GILGYTEHQV281 VSSDFNSDTH291 SSTFDAGAGI301 ALNDHFVKLI 311 SWYDNEFGYS321 NRVVDLMAHM331 ASKE
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ALA126
4.796
ASP127
3.419
ALA128
3.149
PRO129
2.265
MET130
2.002
PHE131
2.367
ASN136
2.647
LYS139
2.786
TYR140
4.272
ASP141
4.386
LEU144
2.834
HIS165
3.107
ASP166
2.229
ASN167
2.547
PHE168
2.652
GLY169
2.263
ALA183
2.639
THR184
2.121
GLN185
3.565
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| PDB ID: 6YNH GAPDH purified from the supernatant of HEK293F cells: crystal form 4 of 4 | ||||||
| Method | X-ray diffraction | Resolution | 2.62 Å | Mutation | No | [1] |
| PDB Sequence |
GKVKVGVNGF
11 GRIGRLVTRA21 AFNSGKVDIV31 AINDPFIDLN41 YMVYMFQYDS51 THGKFHGTVK 61 AENGKLVING71 NPITIFQERD81 PSKIKWGDAG91 AEYVVESTGV101 FTTMEKAGAH 111 LQGGAKRVII121 SAPSADAPMF131 VMGVNHEKYD141 NSLKIISNAS151 TTNCLAPLAK 162 VIHDNFGIVE172 GLMTTVHAIT182 ATQKTVDGPS192 GKLWRDGRGA202 LQNIIPASTG 212 AAKAVGKVIP222 ELNGKLTGMA232 FRVPTANVSV242 VDLTCRLEKP252 AKYDDIKKVV 262 KQASEGPLKG272 ILGYTEHQVV282 SSDFNSDTHS292 STFDAGAGIA302 LNDHFVKLIS 312 WYDNEFGYSN322 RVVDLMAHMA332 SKE
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| PDB ID: 6YNF GAPDH purified from the supernatant of HEK293F cells: crystal form 3 of 4. | ||||||
| Method | X-ray diffraction | Resolution | 2.39 Å | Mutation | No | [1] |
| PDB Sequence |
GKVKVGVNGF
11 GRIGRLVTRA21 AFNSGKVDIV31 AINDPFIDLN41 YMVYMFQYDS51 THGKFHGTVK 61 AENGKLVING71 NPITIFQERD81 PSKIKWGDAG91 AEYVVESTGV101 FTTMEKAGAH 111 LQGGAKRVII121 SAPSADAPMF131 VMGVNHEKYD141 NSLKIISNAS151 TTNCLAPLAK 162 VIHDNFGIVE172 GLMTTVHAIT182 ATQKTVDGPS192 GKLWRDGRGA202 LQNIIPASTG 212 AAKAVGKVIP222 ELNGKLTGMA232 FRVPTANVSV242 VDLTCRLEKP252 AKYDDIKKVV 262 KQASEGPLKG272 ILGYTEHQVV282 SSDFNSDTHS292 STFDAGAGIA302 LNDHFVKLIS 312 WYDNEFGYSN322 RVVDLMAHMA332 SKE
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Click to Show 3D Structure of This Binding Site
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Partial catalytic Cys oxidation of human GAPDH to Cys-sulfonic acid. Wellcome Open Res. 2020 Aug 25;5:114. | ||||
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