Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T16347 | Target Info | |||
| Target Name | Protein-tyrosine phosphatase 1B (PTP1B) | ||||
| Synonyms | Tyrosine-protein phosphatase non-receptor type 1; PTP-1B | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | PTPN1 | ||||
| Biochemical Class | Phosphoric monoester hydrolase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Tungstate | Ligand Info | |||
| Canonical SMILES | [O-][W](=O)(=O)[O-] | ||||
| InChI | 1S/4O.W/q;;2*-1; | ||||
| InChIKey | PBYZMCDFOULPGH-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 24465 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6XED Crystal Structure of the PTP1B YopH WPD loop Chimera 3 bound to tungstate | ||||||
| Method | X-ray diffraction | Resolution | 1.79 Å | Mutation | No | [1] |
| PDB Sequence |
MEMEKEFEQI
10 DKSGSWAAIY20 QDIRHEASDF30 PCRVAKLPKN40 KNRNRYRDVS50 PFDHSRIKLH 60 QENDYINASL71 IKMEEAQRSY81 ILTQGPLPNT91 CGHFWEMVWE101 QKSRGVVMLN 111 RVMEKGSLKC121 AQYWPQKEEK131 EMIFEDTNLK141 LTLISEDIKS151 YYTVRQLELE 161 NLTTQETREI171 LHFHYGNWPD181 QTAPESPASF191 LNFLFKVRES201 GSLSPEHGPV 211 VVHCSAGIGR221 SGTFCLADTC231 LLLMDKRKDP241 SSVDIKKVLL251 EMRKFRMGLI 261 QTADQLRFSY271 LAVIEGAKFI281 MGDSSVQDQW291 KELSHED
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| PDB ID: 6XEG Crystal structure of the PTP1B YopH WPD loop Chimera 4 bound to tungstate | ||||||
| Method | X-ray diffraction | Resolution | 2.55 Å | Mutation | No | [1] |
| PDB Sequence |
MEMEKEFEQI
10 DKSGSWAAIY20 QDIRHEASDF30 PCRVAKLPKN40 KNRNRYRDVS50 PFDHSRIKLH 60 QEDNDYINAS70 LIKMEEAQRS80 YILTQGPLPN90 TCGHFWEMVW100 EQKSRGVVML 110 NRVMEKGSLK120 CAQYWPQKEE130 KEMIFEDTNL140 KLTLISEDIK150 SYYTVRQLEL 160 ENLTTQETRE170 ILHFHYTNWP180 DQTAPESPAS190 FLNFLFKVRE200 SGSLSPEHGP 210 VVVHCSAGIG220 RSGTFCLADT230 CLLLMDKRKD240 PSSVDIKKVL250 LEMRKFRMGL 260 IQTADQLRFS270 YLAVIEGAKF280 IMGDSSVQDQ290 WKELSHED
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| PDB ID: 2HNQ CRYSTAL STRUCTURE OF HUMAN PROTEIN TYROSINE PHOSPHATASE 1B | ||||||
| Method | X-ray diffraction | Resolution | 2.85 Å | Mutation | No | [2] |
| PDB Sequence |
KEFEQIDKSG
14 SWAAIYQDIR24 HEASDFPCRV34 AKLPKNKNRN44 RYRDVSPFDH54 SRIKLHQEDN 64 DYINASLIKM74 EEAQRSYILT84 QGPLPNTCGH94 FWEMVWEQKS104 RGVVMLNRVM 114 EKGSLKCAQY124 WPQKEEKEMI134 FEDTNLKLTL144 ISEDIKSYYT154 VRQLELENLT 164 TQETREILHF174 HYTTWPDFGV184 PESPASFLNF194 LFKVRESGSL204 SPEHGPVVVH 214 CSAGIGRSGT224 FCLADTCLLL234 MDKRKDPSSV244 DIKKVLLEMR254 KFRMGLIQTA 264 DQLRFSYLAV274 IEGAKFIM
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Insights into the importance of WPD-loop sequence for activity and structure in protein tyrosine phosphatases. Chem Sci. 2022 Oct 26;13(45):13524-13540. | ||||
| REF 2 | Crystal structure of human protein tyrosine phosphatase 1B. Science. 1994 Mar 11;263(5152):1397-404. | ||||
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