Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T47623 | Target Info | |||
| Target Name | Heparanase (HPSE) | ||||
| Synonyms | Hpa1; Heparanase-1; Heparanase 8 kDa subunit; Heparanase 50 kDa subunit; HSE1; HPSE1; HPR1; HPA; HEP protein; Endo-glucoronidase | ||||
| Target Type | Successful Target | ||||
| Gene Name | HPSE | ||||
| Biochemical Class | Glycosylase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | (1S,2R,3S,4S,5S,6R)-2-(8-azidooctylamino)-3,4,5,6-tetrahydroxycyclohexane-1-carboxylic acid | Ligand Info | |||
| Canonical SMILES | C(CCCCN=[N+]=[N-])CCCNC1C(C(C(C(C1O)O)O)O)C(=O)O | ||||
| InChI | 1S/C15H28N4O6/c16-19-18-8-6-4-2-1-3-5-7-17-10-9(15(24)25)11(20)13(22)14(23)12(10)21/h9-14,17,20-23H,1-8H2,(H,24,25)/t9-,10+,11+,12-,13-,14-/m0/s1 | ||||
| InChIKey | HMWYQBVREFKFKY-KTEZLCCFSA-N | ||||
| PubChem Compound ID | 137348515 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 5LA7 Crystal structure of human proheparanase, in complex with glucuronic acid configured aziridine probe JJB355 | ||||||
| Method | X-ray diffraction | Resolution | 1.94 Å | Mutation | Yes | [1] |
| PDB Sequence |
QDVVDLDFFT
45 QEPLHLVSPS55 FLSVTIDANL65 ATDPRFLILL75 GSPKLRTLAR85 GLSPAYLRFG 95 GTKTDFLIFD105 PKKESTFEER115 SYWQSQVNQD125 ICKYGSIPPD135 VEEKLRLEWP 145 YQEQLLLREH155 YQKKFKNSTY165 SRSSVDVLYT175 FANCSGLDLI185 FGLNALLRTA 195 DLQWNSSNAQ205 LLLDYCSSKG215 YNISWELGNE225 PNSFLKKADI235 FINGSQLGED 245 FIQLHKLLRK255 STFKNAKLYG265 PDVGQPRRKT275 AKMLKSFLKA285 GGEVIDSVTW 295 HHYYLNGRTA305 TREDFLNPDV315 LDIFISSVQK325 VFQVVESTRP335 GKKVWLGETS 345 SAYGGGAPLL355 SDTFAAGFMW365 LDKLGLSARM375 GIEVVMRQVF385 FGAGNYHLVD 395 ENFDPLPDYW405 LSLLFKKLVG415 TKVLMASVQG425 SKRRKLRVYL435 HCTNTDNPRY 445 KEGDLTLYAI455 NLHNVTKYLR465 LPYPFSNKQV475 DKYLLRPLGP485 HGLLSKSVQL 495 NGLTLKMVDD505 QTLPPLMEKP515 LRPGSSLGLP525 AFSYSFFVIR535 NAKVAACI |
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| PDB ID: 5L9Y Crystal structure of human heparanase, in complex with glucuronic acid configured aziridine probe JJB355 | ||||||
| Method | X-ray diffraction | Resolution | 1.88 Å | Mutation | No | [1] |
| PDB Sequence |
> Chain A
FKNSTYSRSS 169 VDVLYTFANC179 SGLDLIFGLN189 ALLRTADLQW199 NSSNAQLLLD209 YCSSKGYNIS 219 WELGNEPNSF229 LKKADIFING239 SQLGEDFIQL249 HKLLRKSTFK259 NAKLYGPDVG 269 QPRRKTAKML279 KSFLKAGGEV289 IDSVTWHHYY299 LNGRTATRED309 FLNPDVLDIF 319 ISSVQKVFQV329 VESTRPGKKV339 WLGETSSAYG349 GGAPLLSDTF359 AAGFMWLDKL 369 GLSARMGIEV379 VMRQVFFGAG389 NYHLVDENFD399 PLPDYWLSLL409 FKKLVGTKVL 419 MASVQGSKRR429 KLRVYLHCTN439 TDNPRYKEGD449 LTLYAINLHN459 VTKYLRLPYP 469 FSNKQVDKYL479 LRPLGPHGLL489 SKSVQLNGLT499 LKMVDDQTLP509 PLMEKPLRPG 519 SSLGLPAFSY529 SFFVIRNAKV539 AACI> Chain B QDVVDLDFFT 45 QEPLHLVSPS55 FLSVTIDANL65 ATDPRFLILL75 GSPKLRTLAR85 GLSPAYLRFG 95 GTKTDFLIFD105 PKKE
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ASN224[A]
3.004
GLU225[A]
3.548
ARG272[A]
3.193
HIS296[A]
4.799
TYR298[A]
2.908
GLU343[A]
1.440
ALA347[A]
4.510
TYR348[A]
3.430
GLY349[A]
2.805
GLY350[A]
2.925
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Activity-based probes for functional interrogation of retaining beta-glucuronidases. Nat Chem Biol. 2017 Aug;13(8):867-873. | ||||
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