MolNFT v1 · #56415 · protein
Structure of the roc domain from the PARKINSON'S disease-associated leucine-rich repeat kinase 2 reveals a dimeric GTPase
2ZEJ: “Structure of the roc domain from the PARKINSON'S disease-associated leucine-rich repeat kinase 2 reveals a…”. X-ray diffraction, 2 ligands (GDP, MG), 2 pockets (best druggability 0.42). MolNFT v1 #56415 on GenesisL1: 3D structure…
- PDB
- 2ZEJ
- Type
- protein
- Length
- 319 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Leucine-rich repeat kinase 2
- EC
- 2.7.11.1
- UniProt
- Q17RV3
- Ligands
- GDP, MG
- Pockets
- 2 · best druggability 0.42
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Leucine-rich repeat kinase 2 (EC 2.7.11.1) | protein | 157 | 45% helix, 26% strand | Q17RV3 |
| B | Leucine-rich repeat kinase 2 (EC 2.7.11.1) | protein | 162 | 45% helix, 26% strand | Q17RV3 |
Ligands and binding sites
- GDP · Guanosine-5'-diphosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 138 | 0.42 | 0.75 | 20 | empty |
| 2 | 88 | 0.33 | 0.74 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 3115 Ų buried · 37 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified (engineered).
Compared structures
- 2ZEJ · Structure of the ROC domain from the Parkinson's disease-associated leucine-rich repeat… · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q17RV3
- Elsewhere: RCSB PDB 2ZEJ · PDBe 2ZEJ · UniProt Q17RV3
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