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 | S-sulpho-L-cysteine | Ligand Info | |||
| Canonical SMILES | C(C(C(=O)O)N)SS(=O)(=O)O | ||||
| InChI | 1S/C3H7NO5S2/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1 | ||||
| InChIKey | NOKPBJYHPHHWAN-REOHCLBHSA-N | ||||
| PubChem Compound ID | 115015 | ||||
| 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: 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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| 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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