Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
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
LRRK2_HUMAN
Ligand General Information  Top
Ligand Name Selenomethionine Ligand Info
Canonical SMILES C[Se]CCC(C(=O)O)N
InChI 1S/C5H11NO2Se/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
InChIKey RJFAYQIBOAGBLC-UHFFFAOYSA-N
PubChem Compound ID 15103
Drug Binding Sites of Target  Top
PDB ID: 2ZEJ      Structure of the ROC domain from the Parkinson's disease-associated leucine-rich repeat kinase 2 reveals a dimeric GTPase
Method X-ray diffraction Resolution 2.00 Å Mutation No [1]
PDB Sequence
KLIVGNTGSG
1346
KTTLLQQLKT
1368
VGIDVKDWPI
1378
LVLNVWDFAG
1397
REEFYSTHPH
1407

FTQRALYLAV
1418
YDLSKGQAEV
1428
DAKPWLFNIK
1439
ARASSSPVIL
1449
VGTHLDVSDE
1459

KQRKACSKIT
1470
KELLNKRGFP
1480
AIRDYHFVNA
1490
TEESDALAKL
1500
RKTIINESLN
1510

F
Residue
Distance (Å)
LYS1336
1.340
LEU1337
1.326
ILE1339
1.336
VAL1340
3.814
LEU1350
4.983
LEU1351
2.828
GLN1352
3.354
GLN1353
3.265
LEU1354
1.306
LYS1356
1.322
LYS1374
4.421
ASP1375
3.471
TRP1376
3.544
PRO1377
4.955
VAL1389
4.271
LEU1390
3.542
ASN1391
2.800
TRP1393
3.500
PHE1395
4.013
PHE1401
3.842
SER1403
4.093
THR1404
3.241
HIS1405
3.130
PRO1406
3.282
HIS1407
3.315
PHE1408
1.326
THR1410
1.327
GLN1411
3.758
Residue
Distance (Å)
ARG1412
4.879
ALA1413
4.011
TYR1415
4.521
ALA1417
3.987
VAL1418
3.877
TYR1419
3.962
GLU1427
3.235
VAL1428
3.053
ASP1429
3.003
ALA1430
1.333
LYS1432
1.338
PRO1433
3.411
TRP1434
3.124
LEU1435
2.945
LEU1449
4.519
GLN1461
4.828
ARG1462
3.083
LYS1463
3.491
ALA1464
3.248
CYS1465
1.325
SER1467
1.340
LYS1468
3.309
ILE1469
3.291
THR1470
2.760
LYS1471
4.782
LEU1473
4.349
TYR1485
3.890
PHE1487
4.070
PDB ID: 3D6T      Structure of the ROC domain from the Parkinson's disease-associated leucine-rich repeat kinase 2 reveals a dimeric GTPase
Method X-ray diffraction Resolution 2.43 Å Mutation No [1]
PDB Sequence
KLIVGNTGSG
1346
KTTLLQLGID
1372
VKDWPLVLVW
1393
DFAGREEFYS
1403
THPHFTQRAL
1414

YLAVYDLSKG
1424
QAEVDAKPWL
1435
FNIKARASSS
1445
PVILVGTHLD
1455
VSDKILLGFP
1480

AIRDYHFVNA
1490
TEESLRKTII
1505
Residue
Distance (Å)
LYS1336
1.323
LEU1337
1.325
ILE1339
1.296
VAL1340
3.483
LEU1351
3.872
GLN1353
3.130
LEU1354
1.313
LYS1374
4.370
ASP1375
3.565
TRP1376
3.797
PRO1377
4.567
LEU1388
3.674
VAL1389
4.803
LEU1390
2.991
TRP1393
3.521
PHE1395
4.313
PHE1401
4.399
SER1403
4.473
THR1404
3.652
HIS1405
3.112
Residue
Distance (Å)
PRO1406
3.328
HIS1407
3.465
PHE1408
1.340
THR1410
1.335
GLN1411
3.755
ALA1413
3.823
TYR1415
3.798
ALA1417
3.425
VAL1418
3.368
TYR1419
3.508
GLU1427
3.725
VAL1428
3.890
ASP1429
2.885
ALA1430
1.329
LYS1432
1.329
PRO1433
3.292
TRP1434
3.047
LEU1435
2.935
LEU1449
4.396
References  Top
REF 1 Structure of the ROC domain from the Parkinson's disease-associated leucine-rich repeat kinase 2 reveals a dimeric GTPase. Proc Natl Acad Sci U S A. 2008 Feb 5;105(5):1499-504.

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