Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T08123 | Target Info | |||
| Target Name | Leucine-rich repeat kinase 2 (LRRK2) | ||||
| Synonyms | PARK8; Leucine-rich repeat serine/threonine-protein kinase 2; Dardarin | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | LRRK2 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Phosphonothreonine | Ligand Info | |||
| Canonical SMILES | CC(C(C(=O)O)N)OP(=O)(O)O | ||||
| InChI | 1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1 | ||||
| InChIKey | USRGIUJOYOXOQJ-GBXIJSLDSA-N | ||||
| PubChem Compound ID | 3246323 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6VP6 Cryo-EM structure of the C-terminal half of the Parkinson's Disease-linked protein Leucine Rich Repeat Kinase 2 (LRRK2) | ||||||
| Method | Electron microscopy | Resolution | 3.47 Å | Mutation | No | [1] |
| PDB Sequence |
VPYNRMKLMI
1339 VGNGSGKTTL1350 LQQLMGIDVK1374 DWPILVLNVW1393 DFAGREEFYS1403 THPRALYLAV 1418 YDLSKGQAEV1428 DAMKPWLFNI1438 KARASSSPVI1448 LVGTHLDVSD1458 EKQRKACMSK 1468 ITKELLNKRG1478 FPAIRDYHFV1488 NATEESDALA1498 KLRKTIINES1508 LNFKIRDQLV 1518 VGQLIPDCYV1528 ELEKIILSER1538 KNVPIEFPVI1548 DRKRLLQLVR1558 ENQLQLDENE 1568 LPHAVHFLNE1578 SGVLLHFQAL1590 QLSDLYFVEP1600 KWLCKIMAQI1610 LTVGIISRRD 1630 VEKFLSKKRK1640 FPKNYMSQYF1650 KLLEKFQIAL1660 PIGEEYLLVP1670 SSLSDHRPVI 1680 ELPHCENSEI1690 IIRLYEMPYF1700 PMGFWSRLIN1710 RLLEISPYML1720 LRPNRMYWRQ 1736 GIYLNWSPEA1746 YCLVGSEVLD1756 NHPESFLKIT1766 VPSCRKGCIL1776 LGQVVDHIDS 1786 LMEEWFPGLL1796 LLKKWALYSF1816 NDGEEHQKIL1826 LDDLMKKAEE1836 GDLLVNPDQP 1846 RLTIPISQIA1856 PDLILADLPR1866 NIMLNNDELE1876 FEQAPEFLLG1886 DGSFGSVYRA 1896 AYEGEEVAVK1906 IFNKHTSLRL1916 LRQELVVLCH1926 LHHPSLISLL1936 AAGIRPRMLV 1946 MELASKGSLD1956 RLLQQDKASL1966 TRTLQHRIAL1976 HVADGLRYLH1986 SAMIIYRDLK 1996 PHNVLLFTLY2006 PNAAIIAKIA2016 DYGPGFRAPE2042 VARGNVIYNQ2052 QADVYSFGLL 2062 LYDILTTGGR2072 IVEGLKFPNE2082 FDELEIQGKL2092 PDPVKEYGCA2102 PWPMVEKLIK 2112 QCLKENPQER2122 PTSAQVFDIL2132 NSAELVCLTR2142 RILLPKNVIV2152 ECMVATHHAS 2166 IWLGCGHTDR2176 GQLSFLDLNT2186 EGYTSEEVAD2196 SRILCLALVH2206 LPVEKESWIV 2216 SGTQSGTLLV2226 INTEDGKKRH2236 TLEKMTDSVT2246 CLYCNFLLVG2266 TADGKLAIFE 2276 DKTVKLKGAA2286 PLKILNIGNV2296 STPLMCLSES2306 NVMWGGCGTK2322 IFSFSNDFTI 2332 QKLIETRTSQ2342 LFSYAAFSDS2352 NIITVVVDTA2362 LYIAKQNSPV2372 VEVWDKKTEK 2382 LCGLIDCVHF2392 LREVMMSYSG2412 RVKTLCLQKN2422 TALWIGTGGG2432 HILLLDLSTR 2442 RLIRVIYNFC2452 NSVRVMMTAQ2462 LGSLKNVMLV2472 LGYNREIQSC2492 LTVWDINLPH 2502 EVQNLEKHIE2512 VRKELAEKMR2522 RTS
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| PDB ID: 6VNO Cryo-EM structure of the C-terminal half of the Parkinson's Disease-linked protein Leucine Rich Repeat Kinase 2 (LRRK2) | ||||||
| Method | Electron microscopy | Resolution | 3.50 Å | Mutation | No | [1] |
| PDB Sequence |
VPYNRMKLMI
1339 VGNGSGKTTL1350 LQQLMGIDVK1374 DWPILVLNVW1393 DFAGREEFYS1403 THPRALYLAV 1418 YDLSKGQAEV1428 DAMKPWLFNI1438 KARASSSPVI1448 LVGTHLDVSD1458 EKQRKACMSK 1468 ITKELLNKRG1478 FPAIRDYHFV1488 NATEESDALA1498 KLRKTIINES1508 LNFKIRDQLV 1518 VGQLIPDCYV1528 ELEKIILSER1538 KNVPIEFPVI1548 DRKRLLQLVR1558 ENQLQLDENE 1568 LPHAVHFLNE1578 SGVLLHFQAL1590 QLSDLYFVEP1600 KWLCKIMAQI1610 LTVGIISRRD 1630 VEKFLSKKRK1640 FPKNYMSQYF1650 KLLEKFQIAL1660 PIGEEYLLVP1670 SSLSDHRPVI 1680 ELPHCENSEI1690 IIRLYEMPYF1700 PMGFWSRLIN1710 RLLEISPYML1720 LRPNRMYWRQ 1736 GIYLNWSPEA1746 YCLVGSEVLD1756 NHPESFLKIT1766 VPSCRKGCIL1776 LGQVVDHIDS 1786 LMEEWFPGLL1796 LLKKWALYSF1816 NDGEEHQKIL1826 LDDLMKKAEE1836 GDLLVNPDQP 1846 RLTIPISQIA1856 PDLILADLPR1866 NIMLNNDELE1876 FEQAPEFLLG1886 DGSFGSVYRA 1896 AYEGEEVAVK1906 IFNKHTSLRL1916 LRQELVVLCH1926 LHHPSLISLL1936 AAGIRPRMLV 1946 MELASKGSLD1956 RLLQQDKASL1966 TRTLQHRIAL1976 HVADGLRYLH1986 SAMIIYRDLK 1996 PHNVLLFTLY2006 PNAAIIAKIA2016 DYGPGFRAPE2042 VARGNVIYNQ2052 QADVYSFGLL 2062 LYDILTTGGR2072 IVEGLKFPNE2082 FDELEIQGKL2092 PDPVKEYGCA2102 PWPMVEKLIK 2112 QCLKENPQER2122 PTSAQVFDIL2132 NSAELVCLTR2142 RILLPKNVIV2152 ECMVATHHAS 2166 IWLGCGHTDR2176 GQLSFLDLNT2186 EGYTSEEVAD2196 SRILCLALVH2206 LPVEKESWIV 2216 SGTQSGTLLV2226 INTEDGKKRH2236 TLEKMTDSVT2246 CLYCNFLLVG2266 TADGKLAIFE 2276 DKTVKLKGAA2286 PLKILNIGNV2296 STPLMCLSES2306 NVMWGGCGTK2322 IFSFSNDFTI 2332 QKLIETRTSQ2342 LFSYAAFSDS2352 NIITVVVDTA2362 LYIAKQNSPV2372 VEVWDKKTEK 2382 LCGLIDCVHF2392 LREVMMSYSG2412 RVKTLCLQKN2422 TALWIGTGGG2432 HILLLDLSTR 2442 RLIRVIYNFC2452 NSVRVMMTAQ2462 LGSLKNVMLV2472 LGYNREIQSC2492 LTVWDINLPH 2502 EVQNLEKHIE2512 VRKELAEKMR2522 RTS
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structure of LRRK2 in Parkinson's disease and model for microtubule interaction. Nature. 2020 Dec;588(7837):344-349. | ||||
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