Structure of PDB 8tzc Chain A Binding Site BS02

Receptor Information
>8tzc Chain A (length=872) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NRMKLMIVGNTGSGKTLLQQLMATVGIDVKDWPVLNVWDFAGREEFYSTH
PHFMTQRALYLAVYDPWLFPVILVGTIRDYHFVRKTIINESLAVHFLNES
GVLLHFQDPALQLSDLYFVEPKWLCKIMAQILKGIISRRDVEKFYFKLLE
KFQIALPILLVPSSLSDHRPVIELPHCENSEIIIRLYEMPYFPMGFWSRL
INRLLEISPYMLSALRPNRMYWRQGIYLNWSPEAYCLVGSEVLPESFLKI
TVPSCRKGCILLGQVVDHIDSLMEEWFPGLLETLLKKWALYSFNDGEEHQ
KILLDDLMKKAEEGDLLVNLTIPISQIAPDLILADLPRNIMLNNDELEFE
QAPEFLLGDGSFGSVYRAAYEGEEVAVKIFNKHTSLRLLRQELVVLCHLH
HPSLISLLAAGIRPRMLVMELASKGSLDRLLQQDKASLTRTLQHRIALHV
ADGLRYLHSAMIIYRDLKPHNVLLFTLYPNAAIIAKIADYSIAQYCCRMG
IKTSEGTPGFRAPEVARGNVIYNQQADVYSFGLLLYDILTTGGRIVFDEL
EIGKLPDPVKEYGCAPWPMVEKLIKQCLKENPQERPTSAQVFDILNSAEL
VCLTRRILLPKNVIVECMVASIWLGCGQLSFLDLEGYTSEEVARILCLAL
IVSGTQSGTLLVINSVTCLYCLLVGTADGKLAIFPLKILNITPLMCLSES
MWGGCGTKIFSFTIQKLIETRTSQLFSYAAFSDNIITVVVDTALYIAKQN
SPVVEVWDKTEKLCGLIDCVHFLYSGRVKTLCLQKNTALWIGTGGGHILL
LDLSTRRLIRVIYNFCNSVRVMMTAQLKNVMLVLGYNRIQSCLTVWDINL
PHEVQNLEKHIEVRKELAEKMR
Ligand information
Ligand IDGDP
InChIInChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyQGWNDRXFNXRZMB-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
FormulaC10 H15 N5 O11 P2
NameGUANOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL384759
DrugBankDB04315
ZINCZINC000008215481
PDB chain8tzc Chain A Residue 2602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8tzc Inhibition of Parkinson Disease-related LRRK2 by Type I and Type II kinase inhibitors:activity and structures
Resolution2.7 Å
Binding residue
(original residue number in PDB)		G1346 K1347 T1349 A1367 T1368
Binding residue
(residue number reindexed from 1)		G14 K15 T16 A23 T24
Annotation score4
Enzymatic activity
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
3.6.5.-
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0005524 ATP binding
GO:0005525 GTP binding
Biological Process
GO:0006468 protein phosphorylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8tzc, PDBe:8tzc, PDBj:8tzc
PDBsum8tzc
PubMed38039358
UniProtQ5S007|LRRK2_HUMAN Leucine-rich repeat serine/threonine-protein kinase 2 (Gene Name=LRRK2)

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