Structure of PDB 6whe Chain B Binding Site BS02

Receptor Information
>6whe Chain B (length=175) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TYDYLFKLLLIGDSGVGKTCVLFRFSEDAFNSTFISTIGIDFKIRTIELD
GKRIKLQIWDTAGLERFREITTAYYRGAMGIMLVYDITNEKSFDNIRNWI
RNIEEHASADVEKMILGNKCDVNDKRQVSKERGEKLALDYGIKFMETSAK
ANINVENAFFTLARDIKAKMDKKLE
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain6whe Chain B Residue 202 [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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PDB6whe Dual arginine recognition of LRRK2 phosphorylated Rab GTPases.
Resolution1.73 Å
Binding residue
(original residue number in PDB)		T22 T40
Binding residue
(residue number reindexed from 1)		T19 T37
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.5.2: small monomeric GTPase.
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005525 GTP binding

View graph for
Molecular Function
External links
PDB RCSB:6whe, PDBe:6whe, PDBj:6whe
PDBsum6whe
PubMed33887226
UniProtP61006|RAB8A_HUMAN Ras-related protein Rab-8A (Gene Name=RAB8A)

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