MolNFT v1 · #105949 · protein
Structure of a product bound phosphatase
4RKK · Laforin: “Structure of a product bound phosphatase”. X-ray diffraction, 2 ligands (GLC, PO4), 7 pockets (best druggability 0.74). MolNFT v1 #105949 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4RKK
- Type
- protein
- Length
- 632 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Laforin
- EC
- 3.1.3.-, 3.1.3.16, 3.1.3.48
- UniProt
- O95278
- Ligands
- GLC, PO4
- Pockets
- 7 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Laforin (EC 3.1.3.-, 3.1.3.16, 3.1.3.48) | protein | 317 | 38% helix, 23% strand | O95278 |
| C | Laforin (EC 3.1.3.-, 3.1.3.16, 3.1.3.48) | protein | 315 | 39% helix, 23% strand | O95278 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 30 copies · chains A, C
- PO4 · Phosphate ion · ion · 2 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 614 | 0.74 | 0.80 | 57 | empty |
| 2 | 307 | 0.64 | 0.80 | 47 | GLC, PO4 |
| 3 | 108 | 0.56 | 0.84 | 25 | empty |
| 4 | 178 | 0.54 | 0.79 | 22 | empty |
| 5 | 164 | 0.50 | 0.77 | 16 | GLC, PO4 |
Interfaces
1 interface between chains.
- A–C · 927 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
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 O95278
- Elsewhere: RCSB PDB 4RKK · PDBe 4RKK · UniProt O95278
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