Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T77721 | Target Info | |||
| Target Name | Glycerol-3-phosphate dehydrogenase (GPD1) | ||||
| Synonyms | Glycerol-3-phosphate dehydrogenase [NAD(+)], cytoplasmic; GPDH-C; GPD-C | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | GPD1 | ||||
| Biochemical Class | Short-chain dehydrogenases reductase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Pentaerythritol | Ligand Info | |||
| Canonical SMILES | C(C(CO)(CO)CO)O | ||||
| InChI | 1S/C5H12O4/c6-1-5(2-7,3-8)4-9/h6-9H,1-4H2 | ||||
| InChIKey | WXZMFSXDPGVJKK-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 8285 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6E8Y Unliganded Human Glycerol 3-Phosphate Dehydrogenase | ||||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [1] |
| PDB Sequence |
ASKKVCIVGS
11 GNWGSAIAKI21 VGGNAAQLAQ31 FDPRVTMWVF41 EEDILTEIIN55 TQHENVKYLP 65 GHKLPPNVVA75 VPDVVQAAED85 ADILIFVVPH95 QFIGKICDQL105 KGHLKANATG 115 ISLIKGVDEG125 PNGLKLISEV135 IGERLGIPMS145 VLMGANIASE155 VADEKFCETT 165 IGCKDPAQGQ175 LLKELMQTPN185 FRITVVQEVD195 TVEICGALKN205 VVAVGAGFCD 215 GLGFGDNTKA225 AVIRLGLMEM235 IAFAKLFCSG245 PVSSATFLES255 CGVADLITTC 265 YGGRNRKVAE275 AFARTGKSIE285 QLEKELLNGQ295 KLQGPETARE305 LYSILQHKGL 315 VDKFPLFMAV325 YKVCYEGQPV335 GEFIHCLQNH345 PEHM
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| PDB ID: 6PYP Binary Complex of Human Glycerol 3-Phosphate Dehydrogenase, R269A mutant | ||||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | Yes | [2] |
| PDB Sequence |
ASKKVCIVGS
11 GNWGSAIAKI21 VGGNAAQLAQ31 FDPRVTMWVF41 EEDIGGKKLT51 EIINTQHENV 61 KYLPGHKLPP71 NVVAVPDVVQ81 AAEDADILIF91 VVPHQFIGKI101 CDQLKGHLKA 111 NATGISLIKG121 VDEGPNGLKL131 ISEVIGERLG141 IPMSVLMGAN151 IASEVADEKF 161 CETTIGCKDP171 AQGQLLKELM181 QTPNFRITVV191 QEVDTVEICG201 ALKNVVAVGA 211 GFCDGLGFGD221 NTKAAVIRLG231 LMEMIAFAKL241 FCSGPVSSAT251 FLESCGVADL 261 ITTCYGGANR271 KVAEAFARTG281 KSIEQLEKEL291 LNGQKLQGPE301 TARELYSILQ 311 HKGLVDKFPL321 FMAVYKVCYE331 GQPVGEFIHC341 LQNHPEHM
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Human Glycerol 3-Phosphate Dehydrogenase: X-ray Crystal Structures That Guide the Interpretation of Mutagenesis Studies. Biochemistry. 2019 Feb 26;58(8):1061-1073. | ||||
| REF 2 | Modeling the Role of a Flexible Loop and Active Site Side Chains in Hydride Transfer Catalyzed by Glycerol-3-phosphate Dehydrogenase. ACS Catal. 2020 Oct 2;10(19):11253-11267. | ||||
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