Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T57034 | Target Info | |||
| Target Name | Protein tyrosine phosphatase beta (PTPRB) | ||||
| Synonyms | Vascular endothelial protein tyrosine phosphatase; VE-PTP; Receptor-type tyrosine-protein phosphatase beta; R-PTP-beta; PTPRB | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | PTPRB | ||||
| Biochemical Class | Phosphoric monoester hydrolase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: N-(Tert-butoxycarbonyl)-L-tyrosyl-N-methyl-4-(sulfoamino)-L-phenylalaninamide | Ligand Info | |||||
| Structure Description | Structural studies of protein tyrosine phosphatase beta catalytic domain in complex with a sulfamic acid (soaking experiment) | PDB:2I4G | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [1] |
| PDB Sequence |
KTSCPIKINQ
1687 FEGHFMKLQA1697 DSNYLLSKEY1707 EELKDVGRNQ1717 SCDIALLPEN1727 RGKNRYNNIL 1737 PYDATRVKLS1747 NVCSDYINAS1761 YIPGNNFRRE1771 YIVTQGPLPG1781 TKDDFWKMVW 1791 EQNVHNIVMV1801 TQCVEKGRVK1811 CDHYWPADQD1821 SLYYGDLILQ1831 MLSESVLPEW 1841 TIREFKICGE1851 EQLDAHRLIR1861 HFHYTVWPDH1871 GVPETTQSLI1881 QFVRTVRDYI 1891 NRSPGAGPTV1901 VHCSAGVGRT1911 GTFIALDRIL1921 QQLDSKDSVD1931 IYGAVHDLRL 1941 HRVHMVQTEC1951 QYVYLHQCVR1961 DVLRARKLR
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (4-Ethylphenyl)sulfamic acid | Ligand Info | |||||
| Structure Description | Engineering the PTPbeta catalytic domain with improved crystallization properties | PDB:2I5X | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [1] |
| PDB Sequence |
KTSCPIKINQ
1687 FEGHFMKLQA1697 DSNYLLSKEY1707 EELKDVGRNQ1717 SCDIALLPEN1727 RGKNRYNNIL 1737 PYDATRVKLS1747 NPCSDYINAS1761 YIPGNNFRRE1771 YIVTQGPLPG1781 TKDDFWKMVW 1791 EQNVHNIVMV1801 TQCVEKGRVK1811 CDHYWPADQD1821 SLYYGDLILQ1831 MLSESVLPEW 1841 TIREFKICGH1857 RLIRHFHYTV1867 WPDHGVPETT1877 QSLIQFVRTV1887 RDYINRSPGA 1897 GPTVVHCSAG1907 VGRTGTFIAL1917 DRILQQLDSK1927 DSVDIYGAVH1937 DLRLHRVHMV 1947 QTECQYVYLH1957 QCVRDVLRAR1967
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| Ligand Name: {4-[2,2-Bis(5-methyl-1,2,4-oxadiazol-3-YL)-3-phenylpropyl]phenyl}sulfamic acid | Ligand Info | |||||
| Structure Description | Structural studies of protein tyrosine phosphatase beta catalytic domain in complex with inhibitors | PDB:2H04 | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [2] |
| PDB Sequence |
KTSCPIKINQ
1687 FEGHFMKLQA1697 DSNYLLSKEY1707 EELKDVGRNQ1717 SCDIALLPEN1727 RGKNRYNNIL 1737 PYDATRVKLS1747 NSDYINASYI1763 PGNNFRREYI1773 VTQGPLPGTK1783 DDFWKMVWEQ 1793 NVHNIVMVTQ1803 CVEKGRVKCD1813 HYWPADQDSL1823 YYGDLILQML1833 SESVLPEWTI 1843 REFKICGEHR1858 LIRHFHYTVW1868 PDHGVPETTQ1878 SLIQFVRTVR1888 DYINRSPGAG 1898 PTVVHCSAGV1908 GRTGTFIALD1918 RILQQLDSKD1928 SVDIYGAVHD1938 LRLHRVHMVQ 1948 TECQYVYLHQ1958 CVRDVLRARK1968
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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 .4UN or .4UN2 or .4UN3 or :34UN;style chemicals stick;color identity;select .A:1733 or .A:1734 or .A:1735 or .A:1736 or .A:1870 or .A:1871 or .A:1904 or .A:1905 or .A:1906 or .A:1907 or .A:1908 or .A:1909 or .A:1910 or .A:1911 or .A:1945 or .A:1948; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: {4-[2-Benzyl-3-methoxy-2-(methoxycarbonyl)-3-oxopropyl]phenyl}sulfamic acid | Ligand Info | |||||
| Structure Description | Structural studies of protein tyrosine phosphatase beta catalytic domain in complex with inhibitors | PDB:2H02 | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [2] |
| PDB Sequence |
KTSCPIKINQ
1687 FEGHFMKLQA1697 DSNYLLSKEY1707 EELKDVGRNQ1717 SCDIALLPEN1727 RGKNRYNNIL 1737 PYDATRVKLS1747 SDYINASYIP1764 GNNFRREYIV1774 TQGPLPGTKD1784 DFWKMVWEQN 1794 VHNIVMVTQC1804 VEKGRVKCDH1814 YWPADQDSLY1824 YGDLILQMLS1834 ESVLPEWTIR 1844 EFKICGEHRL1859 IRHFHYTVWP1869 DHGVPETTQS1879 LIQFVRTVRD1889 YINRSPGAGP 1899 TVVHCSAGVG1909 RTGTFIALDR1919 ILQQLDSKDS1929 VDIYGAVHDL1939 RLHRVHMVQT 1949 ECQYVYLHQC1959 VRDVLRAR
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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 .2UN or .2UN2 or .2UN3 or :32UN;style chemicals stick;color identity;select .A:1733 or .A:1734 or .A:1735 or .A:1736 or .A:1870 or .A:1871 or .A:1904 or .A:1905 or .A:1906 or .A:1907 or .A:1908 or .A:1909 or .A:1910 or .A:1911 or .A:1945 or .A:1948; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (4-{4-[(Tert-butoxycarbonyl)amino]-2,2-bis(ethoxycarbonyl)butyl}phenyl)sulfamic acid | Ligand Info | |||||
| Structure Description | Structural studies of protein tyrosine phosphatase beta catalytic domain in complex with inhibitors | PDB:2H03 | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | Yes | [2] |
| PDB Sequence |
KTSCPIKINQ
1687 FEGHFMKLQA1697 DSNYLLSKEY1707 EELKDVGRNQ1717 SCDIALLPEN1727 RGKNRYNNIL 1737 PYDATRVKLS1747 GGSDYINASY1762 IPGNNFRREY1772 IVTQGPLPGT1782 KDDFWKMVWE 1792 QNVHNIVMVT1802 QCVEKGRVKC1812 DHYWPADQDS1822 LYYGDLILQM1832 LSESVLPEWT 1842 IREFKICGEE1852 QLDAHRLIRH1862 FHYTVWPDHG1872 VPETTQSLIQ1882 FVRTVRDYIN 1892 RSPGAGPTVV1902 HCSAGVGRTG1912 TFIALDRILQ1922 QLDSKDSVDI1932 YGAVHDLRLH 1942 RVHMVQTECQ1952 YVYLHQCVRD1962 VLRARKLR
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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 .3UN or .3UN2 or .3UN3 or :33UN;style chemicals stick;color identity;select .A:1733 or .A:1734 or .A:1735 or .A:1736 or .A:1807 or .A:1809 or .A:1811 or .A:1870 or .A:1871 or .A:1904 or .A:1905 or .A:1906 or .A:1907 or .A:1908 or .A:1909 or .A:1910 or .A:1911 or .A:1945 or .A:1948; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TYR1733
3.631
ASN1734
3.820
ASN1735
2.854
ILE1736
4.139
LYS1807
4.785
ARG1809
4.949
LYS1811
3.699
ASP1870
2.725
HIS1871
2.762
CYS1904
3.364
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Engineering the catalytic domain of human protein tyrosine phosphatase beta for structure-based drug discovery. Acta Crystallogr D Biol Crystallogr. 2006 Dec;62(Pt 12):1435-45. | ||||
| REF 2 | Design and synthesis of potent, non-peptidic inhibitors of HPTPbeta. Bioorg Med Chem Lett. 2006 Aug 15;16(16):4252-6. | ||||
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