Target Binding Site Detail
Target General Information | Top | ||||
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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 | ||||
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Ligand Name | Adenosine triphosphate | Ligand Info | |||
Canonical SMILES | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N | ||||
InChI | 1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | ||||
InChIKey | ZKHQWZAMYRWXGA-KQYNXXCUSA-N | ||||
PubChem Compound ID | 5957 |
Drug Binding Sites of Target | Top | |||||
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PDB ID: 7LI4 Structure of LRRK2 after symmetry expansion | ||||||
Method | Electron microscopy | Resolution | 3.10 Å | Mutation | Yes | [1] |
PDB Sequence |
GIQKCGLKVI
567 SSIVHFPDAL577 GAMDSVLHTL593 QMYPDDQEIQ603 CLGLSLIGYG624 HLLAKILVSS 634 LYRFKDVAEI644 QTKGFQTILA654 ILKLSASFSK664 LLVHHSFDLV674 IFHQMSSNIM 684 EQKDQQFLNL694 CCKCFAKVAM704 DDYLKNVMLE714 RACDQNNSIM724 VECLLLLGAD 734 ANQAKEGSSL744 ICQVCEKESS754 PKLVELLLNS764 GSREQDVRKA774 LTISIGKGDS 784 QIISLLLRRL794 ALDVANNSIC804 LGGFCIGKVE814 PSWLGPLFPD824 KTSNLRKQTN 834 IASTLARMVI844 RYQMKSAVEE854 REYITSLDLS990 ANELRDIDAL1000 SQKCCISVHL 1010 EHLEKLELHQ1020 NALTSFPQQL1030 CETLKSLTHL1040 DLHSNKFTSF1050 PSYLLKMSCI 1060 ANLDVSRNDI1070 GPSVVLDPTV1080 KCPTLKQFNL1090 SYNQLSFVPE1100 NLTDVVEKLE 1110 QLILEGNKIS1120 GICSPLRLKE1130 LKILNLSKNH1140 ISSLSENFLE1150 ACPKVESFSA 1160 RMNFLAAMPF1170 LPPSMTILKL1180 SQNKFSCIPE1190 AILNLPHLRS1200 LDMSSNDIQY 1210 LPGPAHWKSL1220 NLRELLFSHN1230 QISILDLSEK1240 AYLWSRVEKL1250 HLSHNKLKEI 1260 PPEIGCLENL1270 TSLDVSYNLE1280 LRSFPNEMGK1290 LSKIWDLPLD1300 ELHLNFDFKH 1310 IGCKAKDIIR1320 FLQQRLKKAV1330 PYNRMKLMIV1340 GNTGSGKTTL1350 LQQLMKTKKS 1360 DLGMQSATVG1370 IDVKDWPIQI1380 RDKRKRDLVL1390 NVWDFAGREE1400 FYSTHPHFMT 1410 QRALYLAVYD1420 LSKGQAEVDA1430 MKPWLFNIKA1440 RASSSPVILV1450 GTHLDVSKAC 1465 MSKITKELLN1475 KRGFPAIRDY1485 HFVNATEESD1495 ALAKLRKTII1505 NESLNFKIRD 1515 QLVVGQLIPD1525 CYVELEKIIL1535 SERKNVPIEF1545 PVIDRKRLLQ1555 LVRENQLQLD 1565 ENELPHAVHF1575 LNESGVLLHF1585 QDPALQLSDL1595 YFVEPKWLCK1605 IMAQILTVKV 1615 EGCPKHPKGI1625 ISRRDPKNYM1646 TQYFKLLEKF1656 QIALVPSSLS1674 DHRPVIELPH 1684 CENSEIIIRL1694 YEMPYFPMGF1704 WSRLINRLLE1714 ISPYMLALRP1729 NRMYWRQGIY 1739 LNWSPEAYCL1749 VGSEVLDNHP1759 ESFLKITVPS1769 CRKGCILLGQ1779 VVDHIDSLME 1789 EWFPGLLEID1799 ICGEGETLLK1809 KWALYSFNDG1819 EEHQKILLDD1829 LMKKAEEGDL 1839 LVNPDQPRLT1849 IPISQIAPDL1859 ILADLPRNIM1869 LNNDELEFEQ1879 APEFLLGDGS 1889 FGSVYRAAYE1899 GEEVAVKIFN1909 KHTSLRLLRQ1919 ELVVLCHLHH1929 PSLISLLAAG 1939 IRPRMLVMEL1949 ASKGSLDRLL1959 QQDKASLTRT1969 LQHRIALHVA1979 DGLRYLHSAM 1989 IIYRDLKPHN1999 VLLFTLYPNA2009 AIIAKIADYG2019 IAQYCCRMTS2032 EGTPGFRAPE 2042 VARGNVIYNQ2052 QADVYSFGLL2062 LYDILTTGGR2072 IVEGLKFPNE2082 FDELEIQGKL 2092 PDPVKEYGCA2102 PWPMVEKLIK2112 QCLKENPQER2122 PTSAQVFDIL2132 NSAELVCLTR 2142 RILLPKNVIV2152 ECMVATHHNS2162 RNASIWLGCG2172 HTDRGQLSFL2182 DLNTEGYTSE 2192 EVADSRILCL2202 ALVHLPVEKE2212 SWIVSGTQSG2222 TLLVINTEDG2232 KKRHTLEKMT 2242 DSVTCLYCNS2252 FSKQSKQKNF2262 LLVGTADGKL2272 AIFEDKTVKL2282 KGAAPLKILN 2292 IGNVSTPLMC2302 LSESTNSTER2312 NVMWGGCGTK2322 IFSFSNDFTI2332 QKLIETRTSQ 2342 LFSYAAFSDS2352 NIITVVVDTA2362 LYIAKQNSPV2372 VEVWDKKTEK2382 LCGLIDCVHF 2392 LREVTVKENK2402 ESKHKMSYSG2412 RVKTLCLQKN2422 TALWIGTGGG2432 HILLLDLSTR 2442 RLIRVIYNFC2452 NSVRVMMTAQ2462 LGSLKNVMLV2472 LGYNRKNTEG2482 TQKQKEIQSC 2492 LTVWDINLPH2502 EVQNLEKHIE2512 VRKELAEKMR2522 RTSVE
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PDB ID: 7LHT Structure of the LRRK2 dimer | ||||||
Method | Electron microscopy | Resolution | 3.50 Å | Mutation | Yes | [1] |
PDB Sequence |
GIQKCGLKVI
567 SSIVHFPDAL577 GAMDSVLHTL593 QMYPDDQEIQ603 CLGLSLIGYG624 HLLAKILVSS 634 LYRFKDVAEI644 QTKGFQTILA654 ILKLSASFSK664 LLVHHSFDLV674 IFHQMSSNIM 684 EQKDQQFLNL694 CCKCFAKVAM704 DDYLKNVMLE714 RACDQNNSIM724 VECLLLLGAD 734 ANQAKEGSSL744 ICQVCEKESS754 PKLVELLLNS764 GSREQDVRKA774 LTISIGKGDS 784 QIISLLLRRL794 ALDVANNSIC804 LGGFCIGKVE814 PSWLGPLFPD824 KTSNLRKQTN 834 IASTLARMVI844 RYQMKSAVEE854 REYITSLDLS990 ANELRDIDAL1000 SQKCCISVHL 1010 EHLEKLELHQ1020 NALTSFPQQL1030 CETLKSLTHL1040 DLHSNKFTSF1050 PSYLLKMSCI 1060 ANLDVSRNDI1070 GPSVVLDPTV1080 KCPTLKQFNL1090 SYNQLSFVPE1100 NLTDVVEKLE 1110 QLILEGNKIS1120 GICSPLRLKE1130 LKILNLSKNH1140 ISSLSENFLE1150 ACPKVESFSA 1160 RMNFLAAMPF1170 LPPSMTILKL1180 SQNKFSCIPE1190 AILNLPHLRS1200 LDMSSNDIQY 1210 LPGPAHWKSL1220 NLRELLFSHN1230 QISILDLSEK1240 AYLWSRVEKL1250 HLSHNKLKEI 1260 PPEIGCLENL1270 TSLDVSYNLE1280 LRSFPNEMGK1290 LSKIWDLPLD1300 ELHLNFDFKH 1310 IGCKAKDIIR1320 FLQQRLKKAV1330 PYNRMKLMIV1340 GNTGSGKTTL1350 LQQLMKTKKS 1360 DLGMQSATVG1370 IDVKDWPIQI1380 RDKRKRDLVL1390 NVWDFAGREE1400 FYSTHPHFMT 1410 QRALYLAVYD1420 LSKGQAEVDA1430 MKPWLFNIKA1440 RASSSPVILV1450 GTHLDVSKAC 1465 MSKITKELLN1475 KRGFPAIRDY1485 HFVNATEESD1495 ALAKLRKTII1505 NESLNFKIRD 1515 QLVVGQLIPD1525 CYVELEKIIL1535 SERKNVPIEF1545 PVIDRKRLLQ1555 LVRENQLQLD 1565 ENELPHAVHF1575 LNESGVLLHF1585 QDPALQLSDL1595 YFVEPKWLCK1605 IMAQILTVKV 1615 EGCPKHPKGI1625 ISRRDPKNYM1646 TQYFKLLEKF1656 QIALVPSSLS1674 DHRPVIELPH 1684 CENSEIIIRL1694 YEMPYFPMGF1704 WSRLINRLLE1714 ISPYMLALRP1729 NRMYWRQGIY 1739 LNWSPEAYCL1749 VGSEVLDNHP1759 ESFLKITVPS1769 CRKGCILLGQ1779 VVDHIDSLME 1789 EWFPGLLEID1799 ICGEGETLLK1809 KWALYSFNDG1819 EEHQKILLDD1829 LMKKAEEGDL 1839 LVNPDQPRLT1849 IPISQIAPDL1859 ILADLPRNIM1869 LNNDELEFEQ1879 APEFLLGDGS 1889 FGSVYRAAYE1899 GEEVAVKIFN1909 KHTSLRLLRQ1919 ELVVLCHLHH1929 PSLISLLAAG 1939 IRPRMLVMEL1949 ASKGSLDRLL1959 QQDKASLTRT1969 LQHRIALHVA1979 DGLRYLHSAM 1989 IIYRDLKPHN1999 VLLFTLYPNA2009 AIIAKIADYG2019 IAQYCCRMTS2032 EGTPGFRAPE 2042 VARGNVIYNQ2052 QADVYSFGLL2062 LYDILTTGGR2072 IVEGLKFPNE2082 FDELEIQGKL 2092 PDPVKEYGCA2102 PWPMVEKLIK2112 QCLKENPQER2122 PTSAQVFDIL2132 NSAELVCLTR 2142 RILLPKNVIV2152 ECMVATHHNS2162 RNASIWLGCG2172 HTDRGQLSFL2182 DLNTEGYTSE 2192 EVADSRILCL2202 ALVHLPVEKE2212 SWIVSGTQSG2222 TLLVINTEDG2232 KKRHTLEKMT 2242 DSVTCLYCNS2252 FSKQSKQKNF2262 LLVGTADGKL2272 AIFEDKTVKL2282 KGAAPLKILN 2292 IGNVSTPLMC2302 LSESTNSTER2312 NVMWGGCGTK2322 IFSFSNDFTI2332 QKLIETRTSQ 2342 LFSYAAFSDS2352 NIITVVVDTA2362 LYIAKQNSPV2372 VEVWDKKTEK2382 LCGLIDCVHF 2392 LREVTVKENK2402 ESKHKMSYSG2412 RVKTLCLQKN2422 TALWIGTGGG2432 HILLLDLSTR 2442 RLIRVIYNFC2452 NSVRVMMTAQ2462 LGSLKNVMLV2472 LGYNRKNTEG2482 TQKQKEIQSC 2492 LTVWDINLPH2502 EVQNLEKHIE2512 VRKELAEKMR2522 RTSVE
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PDB ID: 7LHW Structure of the LRRK2 monomer | ||||||
Method | Electron microscopy | Resolution | 3.70 Å | Mutation | Yes | [1] |
PDB Sequence |
NDIHKLVLAA
549 LNRFIGNPGI559 QKCGLKVISS569 IVHFPDALGA585 MDSVLHTLQM595 YPDDQEIQCL 605 GLSLIGYGHL626 LAKILVSSLY636 RFKDVAEIQT646 KGFQTILAIL656 KLSASFSKLL 666 VHHSFDLVIF676 HQMSSNIMEQ686 KDQQFLNLCC696 KCFAKVAMDD706 YLKNVMLERA 716 CDQNNSIMVE726 CLLLLGADAN736 QAKEGSSLIC746 QVCEKESSPK756 LVELLLNSGS 766 REQDVRKALT776 ISIGKGDSQI786 ISLLLRRLAL796 DVANNSICLG806 GFCIGKVEPS 816 WLGPLFPDKT826 SNLRKQTNIA836 STLARMVIRY846 QMKSAVEERE982 YITSLDLSAN 992 ELRDIDALSQ1002 KCCISVHLEH1012 LEKLELHQNA1022 LTSFPQQLCE1032 TLKSLTHLDL 1042 HSNKFTSFPS1052 YLLKMSCIAN1062 LDVSRNDIGP1072 SVVLDPTVKC1082 PTLKQFNLSY 1092 NQLSFVPENL1102 TDVVEKLEQL1112 ILEGNKISGI1122 CSPLRLKELK1132 ILNLSKNHIS 1142 SLSENFLEAC1152 PKVESFSARM1162 NFLAAMPFLP1172 PSMTILKLSQ1182 NKFSCIPEAI 1192 LNLPHLRSLD1202 MSSNDIQYLP1212 GPAHWKSLNL1222 RELLFSHNQI1232 SILDLSEKAY 1242 LWSRVEKLHL1252 SHNKLKEIPP1262 EIGCLENLTS1272 LDVSYNLELR1282 SFPNEMGKLS 1292 KIWDLPLDEL1302 HLNFDFKHIG1312 CKAKDIIRFL1322 QQRLKKAVPY1332 NRMKLMIVGN 1342 TGSGKTTLLQ1352 QLMKTKKSDL1362 GMQSATVGID1372 VKDWPIQIRD1382 KRKRDLVLNV 1392 WDFAGREEFY1402 STHPHFMTQR1412 ALYLAVYDLS1422 KGQAEVDAMK1432 PWLFNIKARA 1442 SSSPVILVGT1452 HLDVSKACMS1467 KITKELLNKR1477 GFPAIRDYHF1487 VNATEESDAL 1497 AKLRKTIINE1507 SLNFKIRDQL1517 VVGQLIPDCY1527 VELEKIILSE1537 RKNVPIEFPV 1547 IDRKRLLQLV1557 RENQLQLDEN1567 ELPHAVHFLN1577 ESGVLLHFQD1587 PALQLSDLYF 1597 VEPKWLCKIM1607 AQILTVKVEG1617 CPKHPKGIIS1627 RRDPKNYMTQ1648 YFKLLEKFQI 1658 ALVPSSLSDH1676 RPVIELPHCE1686 NSEIIIRLYE1696 MPYFPMGFWS1706 RLINRLLEIS 1716 PYMLALRPNR1731 MYWRQGIYLN1741 WSPEAYCLVG1751 SEVLDNHPES1761 FLKITVPSCR 1771 KGCILLGQVV1781 DHIDSLMEEW1791 FPGLLEIDIC1801 GEGETLLKKW1811 ALYSFNDGEE 1821 HQKILLDDLM1831 KKAEEGDLLV1841 NPDQPRLTIP1851 ISQIAPDLIL1861 ADLPRNIMLN 1871 NDELEFEQAP1881 EFLLGDGSFG1891 SVYRAAYEGE1901 EVAVKIFNKH1911 TSLRLLRQEL 1921 VVLCHLHHPS1931 LISLLAAGIR1941 PRMLVMELAS1951 KGSLDRLLQQ1961 DKASLTRTLQ 1971 HRIALHVADG1981 LRYLHSAMII1991 YRDLKPHNVL2001 LFTLYPNAAI2011 IAKIADYGIA 2021 QYCCRMTSEG2034 TPGFRAPEVA2044 RGNVIYNQQA2054 DVYSFGLLLY2064 DILTTGGRIV 2074 EGLKFPNEFD2084 ELEIQGKLPD2094 PVKEYGCAPW2104 PMVEKLIKQC2114 LKENPQERPT 2124 SAQVFDILNS2134 AELVCLTRRI2144 LLPKNVIVEC2154 MVATHHNSRN2164 ASIWLGCGHT 2174 DRGQLSFLDL2184 NTEGYTSEEV2194 ADSRILCLAL2204 VHLPVEKESW2214 IVSGTQSGTL 2224 LVINTEDGKK2234 RHTLEKMTDS2244 VTCLYCNSFS2254 KQSKQKNFLL2264 VGTADGKLAI 2274 FEDKTVKLKG2284 AAPLKILNIG2294 NVSTPLMCLS2304 ESTNSTERNV2314 MWGGCGTKIF 2324 SFSNDFTIQK2334 LIETRTSQLF2344 SYAAFSDSNI2354 ITVVVDTALY2364 IAKQNSPVVE 2374 VWDKKTEKLC2384 GLIDCVHFLR2394 EVTVKENKES2404 KHKMSYSGRV2414 KTLCLQKNTA 2424 LWIGTGGGHI2434 LLLDLSTRRL2444 IRVIYNFCNS2454 VRVMMTAQLG2464 SLKNVMLVLG 2474 YNRKNTEGTQ2484 KQKEIQSCLT2494 VWDINLPHEV2504 QNLEKHIEVR2514 KELAEKMRRT 2524 SVE
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PDB ID: 7LI3 Structure of the LRRK2 G2019S mutant | ||||||
Method | Electron microscopy | Resolution | 3.80 Å | Mutation | Yes | [1] |
PDB Sequence |
GIQKCGLKVI
567 SSIVHFPDAL577 GAMDSVLHTL593 QMYPDDQEIQ603 CLGLSLIGYG624 HLLAKILVSS 634 LYRFKDVAEI644 QTKGFQTILA654 ILKLSASFSK664 LLVHHSFDLV674 IFHQMSSNIM 684 EQKDQQFLNL694 CCKCFAKVAM704 DDYLKNVMLE714 RACDQNNSIM724 VECLLLLGAD 734 ANQAKEGSSL744 ICQVCEKESS754 PKLVELLLNS764 GSREQDVRKA774 LTISIGKGDS 784 QIISLLLRRL794 ALDVANNSIC804 LGGFCIGKVE814 PSWLGPLFPD824 KTSNLRKQTN 834 IASTLARMVI844 RYQMKSAVEE854 REYITSLDLS990 ANELRDIDAL1000 SQKCCISVHL 1010 EHLEKLELHQ1020 NALTSFPQQL1030 CETLKSLTHL1040 DLHSNKFTSF1050 PSYLLKMSCI 1060 ANLDVSRNDI1070 GPSVVLDPTV1080 KCPTLKQFNL1090 SYNQLSFVPE1100 NLTDVVEKLE 1110 QLILEGNKIS1120 GICSPLRLKE1130 LKILNLSKNH1140 ISSLSENFLE1150 ACPKVESFSA 1160 RMNFLAAMPF1170 LPPSMTILKL1180 SQNKFSCIPE1190 AILNLPHLRS1200 LDMSSNDIQY 1210 LPGPAHWKSL1220 NLRELLFSHN1230 QISILDLSEK1240 AYLWSRVEKL1250 HLSHNKLKEI 1260 PPEIGCLENL1270 TSLDVSYNLE1280 LRSFPNEMGK1290 LSKIWDLPLD1300 ELHLNFDFKH 1310 IGCKAKDIIR1320 FLQQRLKKAV1330 PYNRMKLMIV1340 GNTGSGKTTL1350 LQQLMKTKKS 1360 DLGMQSATVG1370 IDVKDWPIQI1380 RDKRKRDLVL1390 NVWDFAGREE1400 FYSTHPHFMT 1410 QRALYLAVYD1420 LSKGQAEVDA1430 MKPWLFNIKA1440 RASSSPVILV1450 GTHLDVSKAC 1465 MSKITKELLN1475 KRGFPAIRDY1485 HFVNATEESD1495 ALAKLRKTII1505 NESLNFKIRD 1515 QLVVGQLIPD1525 CYVELEKIIL1535 SERKNVPIEF1545 PVIDRKRLLQ1555 LVRENQLQLD 1565 ENELPHAVHF1575 LNESGVLLHF1585 QDPALQLSDL1595 YFVEPKWLCK1605 IMAQILTVKV 1615 EGCPKHPKGI1625 ISRRDPKNYM1646 TQYFKLLEKF1656 QIALVPSSLS1674 DHRPVIELPH 1684 CENSEIIIRL1694 YEMPYFPMGF1704 WSRLINRLLE1714 ISPYMLALRP1729 NRMYWRQGIY 1739 LNWSPEAYCL1749 VGSEVLDNHP1759 ESFLKITVPS1769 CRKGCILLGQ1779 VVDHIDSLME 1789 EWFPGLLEID1799 ICGEGETLLK1809 KWALYSFNDG1819 EEHQKILLDD1829 LMKKAEEGDL 1839 LVNPDQPRLT1849 IPISQIAPDL1859 ILADLPRNIM1869 LNNDELEFEQ1879 APEFLLGDGS 1889 FGSVYRAAYE1899 GEEVAVKIFN1909 KHTSLRLLRQ1919 ELVVLCHLHH1929 PSLISLLAAG 1939 IRPRMLVMEL1949 ASKGSLDRLL1959 QQDKASLTRT1969 LQHRIALHVA1979 DGLRYLHSAM 1989 IIYRDLKPHN1999 VLLFTLYPNA2009 AIIAKIADYS2019 IAQYCCRMTS2032 EGTPGFRAPE 2042 VARGNVIYNQ2052 QADVYSFGLL2062 LYDILTTGGR2072 IVEGLKFPNE2082 FDELEIQGKL 2092 PDPVKEYGCA2102 PWPMVEKLIK2112 QCLKENPQER2122 PTSAQVFDIL2132 NSAELVCLTR 2142 RILLPKNVIV2152 ECMVATHHNS2162 RNASIWLGCG2172 HTDRGQLSFL2182 DLNTEGYTSE 2192 EVADSRILCL2202 ALVHLPVEKE2212 SWIVSGTQSG2222 TLLVINTEDG2232 KKRHTLEKMT 2242 DSVTCLYCNS2252 FSKQSKQKNF2262 LLVGTADGKL2272 AIFEDKTVKL2282 KGAAPLKILN 2292 IGNVSTPLMC2302 LSESTNSTER2312 NVMWGGCGTK2322 IFSFSNDFTI2332 QKLIETRTSQ 2342 LFSYAAFSDS2352 NIITVVVDTA2362 LYIAKQNSPV2372 VEVWDKKTEK2382 LCGLIDCVHF 2392 LREVTVKENK2402 ESKHKMSYSG2412 RVKTLCLQKN2422 TALWIGTGGG2432 HILLLDLSTR 2442 RLIRVIYNFC2452 NSVRVMMTAQ2462 LGSLKNVMLV2472 LGYNRKNTEG2482 TQKQKEIQSC 2492 LTVWDINLPH2502 EVQNLEKHIE2512 VRKELAEKMR2522 RTSVE
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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 .ATP or .ATP2 or .ATP3 or :3ATP;style chemicals stick;color identity;select .A:1887 or .A:1888 or .A:1891 or .A:1892 or .A:1893 or .A:1904 or .A:1906 or .A:1933 or .A:1947 or .A:1948 or .A:1949 or .A:1950 or .A:1953 or .A:1954 or .A:1998 or .A:2001; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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References | Top | ||||
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REF 1 | Structural analysis of the full-length human LRRK2. Cell. 2021 Jun 24;184(13):3519-3527.e10. |
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