MolNFT v1 · #115095 · protein
SEPL
5C9E: “SEPL”. X-ray diffraction, 1 ligand (BR), 5 pockets (best druggability 0.74). MolNFT v1 #115095 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5C9E
- Type
- protein
- Length
- 526 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sepl
- UniProt
- O52149
- Ligands
- BR
- Pockets
- 5 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 68% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sepl | protein | 263 | 68% helix, 1% strand | O52149 |
| B | Sepl | protein | 263 | 69% helix, 1% strand | O52149 |
Ligands and binding sites
- BR · Bromide ion · ion · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 632 | 0.74 | 0.81 | 55 | BR |
| 2 | 711 | 0.71 | 0.78 | 66 | empty |
| 3 | 60 | 0.38 | 0.79 | 14 | empty |
| 4 | 54 | 0.36 | 0.79 | 15 | empty |
| 5 | 57 | 0.36 | 0.79 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 1372 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 5C9E · SepL · 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 O52149
- Elsewhere: RCSB PDB 5C9E · PDBe 5C9E · UniProt O52149
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