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 | Thiocysteine | Ligand Info | |||
| Canonical SMILES | C(C(C(=O)O)N)SS | ||||
| InChI | 1S/C3H7NO2S2/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1 | ||||
| InChIKey | XBKONSCREBSMCS-REOHCLBHSA-N | ||||
| PubChem Compound ID | 165331 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6XXJ Crystal Structure of Human Deoxyhypusine Synthase in complex with spermidine and NAD | ||||||
| Method | X-ray diffraction | Resolution | 1.41 Å | Mutation | No | [1] |
| PDB Sequence |
EAPAGALAAV
17 LKHSSTLPPE27 STQVRGYDFN37 RGVNYRALLE47 AFGTTGFQAT57 NFGRAVQQVN 67 AMIEKKLEPL77 SQDEDQHADL87 TQSRRPLTSC97 TIFLGYTSNL107 ISSGIRETIR 117 YLVQHNMVDV127 LVTTAGGVEE137 DLIKCLAPTY147 LGEFSLRGKE157 LRENGINRIG 167 NLLVPNENYK178 FEDWLMPILD188 QMVMEQNTEG198 VKWTPSKMIA208 RLGKEINNPE 218 SVYYWAQKNH228 IPVFSPALTD238 GSLGDMIFFH248 SYKNPGLVLD258 IVEDLRLINT 268 QAIFAKCTGM278 IILGGGVVKH288 HIANANLMRN298 GADYAVYINT308 AQEFDGSDSG 318 ARPDEAVSWG328 KIRVDAQPVK338 VYADASLVFP348 LLVAETFAQK358 MDAFM |
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| PDB ID: 6XXH Crystal Structure of Human Deoxyhypusine Synthase in apo form | ||||||
| Method | X-ray diffraction | Resolution | 1.52 Å | Mutation | No | [1] |
| PDB Sequence |
STQVRGYDFN
37 RGVNYRALLE47 AFGTTGFQAT57 NFGRAVQQVN67 AMIEKKLEPL77 SHADLTQSRR 92 PLTSCTIFLG102 YTSNLISSGI112 RETIRYLVQH122 NMVDVLVTTA132 GGVEEDLIKC 142 LAPTYLGEFS152 LRGKELRENG162 INRIGNLLVP172 NENYKFEDWL183 MPILDQMVME 193 QNTEGVKWTP203 SKMIARLGKE213 INNPESVYYW223 AQKNHIPVFS233 PALTDGSLGD 243 MIFFHSYKNP253 GLVLDIVEDL263 RLINTQAIFA273 KCTGMIILGG283 GVVKHHIANA 293 NLMRNGADYA303 VYINTAQEFD313 GSDSGARPDE323 AVSWGKIRVD333 AQPVKVYADA 343 SLVFPLLVAE353 TFAQKMDAFM363
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| PDB ID: 6XXK Crystal Structure of Human Deoxyhypusine Synthase in complex with spermidine | ||||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [1] |
| PDB Sequence |
APAGALAAVL
18 KHSSTLPPES28 TQVRGYDFNR38 GVNYRALLEA48 FGTTGFQATN58 FGRAVQQVNA 68 MIEKKLEPLS78 QDEDQHADLT88 QSRRPLTSCT98 IFLGYTSNLI108 SSGIRETIRY 118 LVQHNMVDVL128 VTTAGGVEED138 LIKCLAPTYL148 GEFSLRGKEL158 RENGINRIGN 168 LLVPNENYKF179 EDWLMPILDQ189 MVMEQNTEGV199 KWTPSKMIAR209 LGKEINNPES 219 VYYWAQKNHI229 PVFSPALTDG239 SLGDMIFFHS249 YKNPGLVLDI259 VEDLRLINTQ 269 AIFAKCTGMI279 ILGGGVVKHH289 IANANLMRNG299 ADYAVYINTA309 QEFDGSDSGA 319 RPDEAVSWGK329 IRVDAQPVKV339 YADASLVFPL349 LVAETFAQKM359 DAFM |
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| PDB ID: 7A6T Crystal Structure of Asn173Ser variant of Human Deoxyhypusine Synthase in complex with NAD and spermidine | ||||||
| Method | X-ray diffraction | Resolution | 1.66 Å | Mutation | Yes | [2] |
| PDB Sequence |
STQVRGYDFN
37 RGVNYRALLE47 AFGTTGFQAT57 NFGRAVQQVN67 AMIEKKLEPL77 SQDEDQHADL 87 TQSRRPLTSC97 TIFLGYTSNL107 ISSGIRETIR117 YLVQHNMVDV127 LVTTAGGVEE 137 DLIKCLAPTY147 LGEFSLRGKE157 LRENGINRIG167 NLLVPSENYK178 FEDWLMPILD 188 QMVMEQNTEG198 VKWTPSKMIA208 RLGKEINNPE218 SVYYWAQKNH228 IPVFSPALTD 238 GSLGDMIFFH248 SYKNPGLVLD258 IVEDLRLINT268 QAIFAKCTGM278 IILGGGVVKH 288 HIANANLMRN298 GADYAVYINT308 AQEFDGSDSG318 ARPDEAVSWG328 KIRVDAQPVK 338 VYADASLVFP348 LLVAETFAQK358 MDAFM
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSS or .CSS2 or .CSS3 or :3CSS;style chemicals stick;color identity;select .A:173 or .A:174 or .A:175 or .A:176 or .A:178 or .A:179 or .A:180 or .A:181 or .A:182 or .A:244; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 6XXM Crystal Structure of Human Deoxyhypusine Synthase in complex with putrescine | ||||||
| Method | X-ray diffraction | Resolution | 1.67 Å | Mutation | No | [1] |
| PDB Sequence |
> Chain A
EAPAGALAAV 17 LKHSSTLPPE27 STQVRGYDFN37 RGVNYRALLE47 AFGTTGFQAT57 NFGRAVQQVN 67 AMIEKKLEPL77 SQDEDQHADL87 TQSRRPLTSC97 TIFLGYTSNL107 ISSGIRETIR 117 YLVQHNMVDV127 LVTTAGGVEE137 DLIKCLAPTY147 LGEFSLRGKE157 LRENGINRIG 167 NLLVPNENYK178 FEDWLMPILD188 QMVMEQNTEG198 VKWTPSKMIA208 RLGKEINNPE 218 SVYYWAQKNH228 IPVFSPALTD238 GSLGDMIFFH248 SYKNPGLVLD258 IVEDLRLINT 268 QAIFAKCTGM278 IILGGGVVKH288 HIANANLMRN298 GADYAVYINT308 AQEFDGSDSG 318 ARPDEAVSWG328 KIRVDAQPVK338 VYADASLVFP348 LLVAETFAQK358 MDAFM > Chain B STQVRGYDFN 37 RGVNYRALLE47 AFGTTGFQAT57 NFGRAVQQVN67 AMIEKKLEPL77 SQDEDQHADL 87 TQSRRPLTSC97 TIFLGYTSNL107 ISSGIRETIR117 YLVQHNMVDV127 LVTTAGGVEE 137 DLIKCLAPTY147 LGEFSLRGKE157 LRENGINRIG167 NLLVPNENYK178 FEDWLMPILD 188 QMVMEQNTEG198 VKWTPSKMIA208 RLGKEINNPE218 SVYYWAQKNH228 IPVFSPALTD 238 GSLGDMIFFH248 SYKNPGLVLD258 IVEDLRLINT268 QAIFAKTGMI279 ILGGGVVKHH 289 IANANLMRNG299 ADYAVYINTA309 QEFDGSDSGA319 RPDEAVSWGK329 IRVDAQPVKV 339 YADASLVFPL349 LVAETFAQKM359 DAFM
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSS or .CSS2 or .CSS3 or :3CSS;style chemicals stick;color identity;select .A:173 or .A:174 or .A:175 or .A:176 or .A:178 or .A:179 or .A:180 or .A:181 or .A:182 or .A:244 or .B:72 or .B:96 or .B:97 or .B:98 or .B:173 or .B:174 or .B:175 or .B:176 or .B:178 or .B:179 or .B:180 or .B:181 or .B:182 or .B:244 or .B:273 or .B:274 or .B:276 or .B:277 or .B:297 or .B:301 or .B:302; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ASN173[A]
3.387
GLU174[A]
2.679
ASN175[A]
3.310
TYR176[A]
1.340
LYS178[A]
1.328
PHE179[A]
3.111
GLU180[A]
2.707
ASP181[A]
2.301
TRP182[A]
4.602
MET244[A]
4.897
LYS72[B]
2.850
SER96[B]
2.539
CYS97[B]
2.545
THR98[B]
2.075
ASN173[B]
3.438
GLU174[B]
2.152
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| PDB ID: 6XXI Crystal Structure of Human Deoxyhypusine Synthase in complex with NAD | ||||||
| Method | X-ray diffraction | Resolution | 1.68 Å | Mutation | No | [1] |
| PDB Sequence |
STQVRGYDFN
37 RGVNYRALLE47 AFGTTGFQAT57 NFGRAVQQVN67 AMIEKKLEPL77 HADLTQSRRP 93 LTSCTIFLGY103 TSNLISSGIR113 ETIRYLVQHN123 MVDVLVTTAG133 GVEEDLIKCL 143 APTYLGEFSL153 RGKELRENGI163 NRIGNLLVPN173 ENYKFEDWLM184 PILDQMVMEQ 194 NTEGVKWTPS204 KMIARLGKEI214 NNPESVYYWA224 QKNHIPVFSP234 ALTDGSLGDM 244 IFFHSYKNPG254 LVLDIVEDLR264 LINTQAIFAK274 CTGMIILGGG284 VVKHHIANAN 294 LMRNGADYAV304 YINTAQEFDG314 SDSGARPDEA324 VSWGKIRVDA334 QPVKVYADAS 344 LVFPLLVAET354 FAQKMDAFM
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSS or .CSS2 or .CSS3 or :3CSS;style chemicals stick;color identity;select .A:173 or .A:174 or .A:175 or .A:176 or .A:178 or .A:179 or .A:180 or .A:181 or .A:182 or .A:244; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 6XXL Crystal Structure of Human Deoxyhypusine Synthase in complex with spermine | ||||||
| Method | X-ray diffraction | Resolution | 1.69 Å | Mutation | No | [1] |
| PDB Sequence |
ESTQVRGYDF
36 NRGVNYRALL46 EAFGTTGFQA56 TNFGRAVQQV66 NAMIEKKLEP76 LSQDEDQHAD 86 LTQSRRPLTS96 CTIFLGYTSN106 LISSGIRETI116 RYLVQHNMVD126 VLVTTAGGVE 136 EDLIKCLAPT146 YLGEFSLRGK156 ELRENGINRI166 GNLLVPNENY176 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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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSS or .CSS2 or .CSS3 or :3CSS;style chemicals stick;color identity;select .A:173 or .A:174 or .A:175 or .A:176 or .A:178 or .A:179 or .A:180 or .A:181 or .A:182; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 7A6S Crystal Structure of Asn173Ser variant of Human Deoxyhypusine Synthase | ||||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | Yes | [2] |
| PDB Sequence |
STQVRGYDFN
37 RGVNYRALLE47 AFGTTGFQAT57 NFGRAVQQVN67 AMIEKKLEPL77 SQDDQHADLT 88 QSRRPLTSCT98 IFLGYTSNLI108 SSGIRETIRY118 LVQHNMVDVL128 VTTAGGVEED 138 LIKCLAPTYL148 GEFSLRGKEL158 RENGINRIGN168 LLVPSENYKF179 EDWLMPILDQ 189 MVMEQNTEGV199 KWTPSKMIAR209 LGKEINNPES219 VYYWAQKNHI229 PVFSPALTDG 239 SLGDMIFFHS249 YKNPGLVLDI259 VEDLRLINTQ269 AIFAKCTGMI279 ILGGGVVKHH 289 IANANLMRNG299 ADYAVYINTA309 QEFDGSDSGA319 RPDEAVSWGK329 IRVDAQPVKV 339 YADASLVFPL349 LVAETFAQKM359 DAFM
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSS or .CSS2 or .CSS3 or :3CSS;style chemicals stick;color identity;select .A:173 or .A:174 or .A:175 or .A:176 or .A:178 or .A:179 or .A:180 or .A:181 or .A:182; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Half Way to Hypusine-Structural Basis for Substrate Recognition by Human Deoxyhypusine Synthase. Biomolecules. 2020 Mar 30;10(4):522. | ||||
| REF 2 | Cryo-EM structure of human eIF5A-DHS complex reveals the molecular basis of hypusination-associated neurodegenerative disorders. Nat Commun. 2023 Mar 27;14(1):1698. | ||||
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