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 | Phosphonotyrosine | Ligand Info | |||
| Canonical SMILES | C1=CC(=CC=C1CC(C(=O)O)N)OP(=O)(O)O | ||||
| InChI | 1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1 | ||||
| InChIKey | DCWXELXMIBXGTH-QMMMGPOBSA-N | ||||
| PubChem Compound ID | 30819 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 1PTY CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B COMPLEXED WITH TWO PHOSPHOTYROSINE MOLECULES | ||||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | Yes | [1] |
| PDB Sequence |
EMEKEFEQID
11 KSGSWAAIYQ21 DIRHEASDFP31 CRVAKLPKNK41 NRNRYRDVSP51 FDHSRIKLHQ 61 EDNDYINASL71 IKMEEAQRSY81 ILTQGPLPNT91 CGHFWEMVWE101 QKSRGVVMLN 111 RVMEKGSLKC121 AQYWPQKEEK131 EMIFEDTNLK141 LTLISEDIKS151 YYTVRQLELE 161 NLTTQETREI171 LHFHYTTWPD181 FGVPESPASF191 LNFLFKVRES201 GSLSPEHGPV 211 VVHSSAGIGR221 SGTFCLADTC231 LLLMDKRKDP241 SSVDIKKVLL251 EMRKFRMGLI 261 QTADQLRFSY271 LAVIEGAKFI281 MGDSSVQDQW291 KELSHEDL
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| PDB ID: 1PTV CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B COMPLEXED WITH PHOSPHOTYROSINE | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [2] |
| PDB Sequence |
EMEKEFEQID
11 KSGSWAAIYQ21 DIRHEASDFP31 CRVAKLPKNK41 NRNRYRDVSP51 FDHSRIKLHQ 61 EDNDYINASL71 IKMEEAQRSY81 ILTQGPLPNT91 CGHFWEMVWE101 QKSRGVVMLN 111 RVMEKGSLKC121 AQYWPQKEEK131 EMIFEDTNLK141 LTLISEDIKT151 YYTVRQLELE 161 NLTTQETREI171 LHFHYTTWPD181 FGVPESPASF191 LNFLFKVRES201 GSLSPEHGPV 211 VVHSSAGIGR221 SGTFCLADTC231 LLLMDKRKDP241 SSVDIKKVLL251 DMRKFRMGLI 261 QTADQLRFSY271 LAVIEGAKFI281 MGDSSVQDQW291 KELSHED
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Identification of a second aryl phosphate-binding site in protein-tyrosine phosphatase 1B: a paradigm for inhibitor design. Proc Natl Acad Sci U S A. 1997 Dec 9;94(25):13420-5. | ||||
| REF 2 | Structural basis for phosphotyrosine peptide recognition by protein tyrosine phosphatase 1B. Science. 1995 Jun 23;268(5218):1754-8. | ||||
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