Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T62265 | Target Info | |||
| Target Name | Deoxyhypusine synthase (DHPS) | ||||
| Synonyms | DHS | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | DHPS | ||||
| Biochemical Class | Alkyl aryl transferase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | 1-Guanidinium-7-Aminoheptane | Ligand Info | |||
| Canonical SMILES | C(CCCN)CCCNC(N)N | ||||
| InChI | 1S/C8H22N4/c9-6-4-2-1-3-5-7-12-8(10)11/h8,12H,1-7,9-11H2 | ||||
| InChIKey | SKGAVCHIFDRDTK-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 5288371 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 1RQD deoxyhypusine synthase holoenzyme in its low ionic strength, high pH crystal form with the inhibitor GC7 bound in the active site | ||||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | No | [1] |
| PDB Sequence |
STQVRGYDFN
37 RGVNYRALLE47 AFGTTGFQAT57 NFGRAVQQVN67 AMIEKKLEPL77 SQDEDQHADL 87 TQSRRPLTSC97 TIFLGYTSNL107 ISSGIRETIR117 YLVQHNMVDV127 LVTTAGGVEE 137 DLIKCLAPTY147 LGEFSLRGKE157 LRENGINRIG167 NLLVPNENYC177 KFEDWLMPIL 187 DQMVMEQNTE197 GVKWTPSKMI207 ARLGKEINNP217 ESVYYWAQKN227 HIPVFSPALT 237 DGSLGDMIFF247 HSYKNPGLVL257 DIVEDLRLIN267 TQAIFAKCTG277 MIILGGGVVK 287 HHIANANLMR297 NGADYAVYIN307 TAQEFDGSDS317 GARPDEAVSW327 GKIRVDAQPV 337 KVYADASLVF347 PLLVAETFAQ357 KMDAFMH
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| PDB ID: 6P4V 1.65 Angstrom ternary complex of Deoxyhypusine synthase with cofactor NAD and spermidine mimic inhibitor GC7 | ||||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [2] |
| PDB Sequence |
STQVRGYDFN
37 RGVNYRALLE47 AFGTTGFQAT57 NFGRAVQQVN67 AMIEKKLEPL77 SQDEDQHADL 87 TQSRRPLTSC97 TIFLGYTSNL107 ISSGIRETIR117 YLVQHNMVDV127 LVTTAGGVEE 137 DLIKCLAPTY147 LGEFSLRGKE157 LRENGINRIG167 NLLVPNENYC177 KFEDWLMPIL 187 DQMVMEQNTE197 GVKWTPSKMI207 ARLGKEINNP217 ESVYYWAQKN227 HIPVFSPALT 237 DGSLGDMIFF247 HSYKNPGLVL257 DIVEDLRLIN267 TQAIFAKCTG277 MIILGGGVVK 287 HHIANANLMR297 NGADYAVYIN307 TAQEFDGSDS317 GARPDEAVSW327 GKIRVDAQPV 337 KVYADASLVF347 PLLVAETFAQ357 KMDAFM
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | A new crystal structure of deoxyhypusine synthase reveals the configuration of the active enzyme and of an enzyme.NAD.inhibitor ternary complex. J Biol Chem. 2004 Jul 2;279(27):28697-705. | ||||
| REF 2 | Discovery of Novel Allosteric Inhibitors of Deoxyhypusine Synthase. J Med Chem. 2020 Mar 26;63(6):3215-3226. | ||||
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