Research workbench
SEC14 homology module of neurofibromin in complex with phosphatitylethanolamine
Analyse SEC14 homology module of neurofibromin in complex with phosphatitylethanolamine in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2E2X
- Type
- protein
- Length
- 500 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Neurofibromin
- UniProt
- P21359
- Ligands
- PEV, POP
- Pockets
- 7 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Neurofibromin | protein | 250 | 30% helix, 34% strand | P21359 |
Ligands and binding sites
- PEV · (1S)-2-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(palmitoyloxy)methyl]ethyl stearate · ligand · 2 copies · chains A, B
- POP · Pyrophosphate 2- · ligand · 2 copies · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 481 | 0.87 | 0.93 | 37 | PEV |
| 2 | 427 | 0.86 | 0.93 | 38 | PEV |
| 3 | 290 | 0.67 | 0.82 | 47 | empty |
| 4 | 263 | 0.55 | 0.77 | 41 | empty |
| 5 | 223 | 0.52 | 0.77 | 38 | empty |
Interfaces
1 interface between chains.
- A–B · 612 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 2E2X · Sec14 Homology Module of Neurofibromin in complex with phosphatitylethanolamine · 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 P21359
- Elsewhere: RCSB PDB 2E2X · PDBe 2E2X · UniProt P21359
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