Research workbench
Dimethylated fusion protein of rsl and nucleoporin peptide (nup) in complex with CUCURBIT[7]URIL, F432 cage assembly
Analyse Dimethylated fusion protein of rsl and nucleoporin peptide (nup) in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7P2I
- Type
- protein
- Length
- 271 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fucose-binding lectin protein
- UniProt
- A0A0S4TLR1
- Ligands
- MFU, QQ7
- Pockets
- 2 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 0% helix, 66% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fucose-binding lectin protein | protein | 91 | 0% helix, 66% strand | A0A0S4TLR1 |
| B, C | Fucose-binding lectin protein | protein | 90 | 0% helix, 67% strand | A0A0S4TLR1 |
Ligands and binding sites
- MFU · methyl alpha-L-fucopyranoside · ligand · 6 copies · chains A, C, B
- QQ7 · cucurbit[7]uril · ligand · 2 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 735 | 0.76 | 0.81 | 77 | empty |
| 2 | 51 | 0.28 | 0.75 | 15 | empty |
Interfaces
3 interfaces between chains.
- B–C · 779 Ų buried · 11 hydrogen bonds · protein-protein
- A–C · 778 Ų buried · 14 hydrogen bonds · protein-protein
- A–B · 775 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 9 modified (methylation).
Compared structures
- 7P2I · Dimethylated fusion protein of RSL and nucleoporin peptide (Nup) in complex with… · 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 A0A0S4TLR1
- Elsewhere: RCSB PDB 7P2I · PDBe 7P2I · UniProt A0A0S4TLR1
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