MolNFT v1 · #148483 · protein
Crystal structure of dimethylated rsl - CUCURBIT[7]URIL complex, C2221 form
6F7W · Fucose-binding lectin protein: “Crystal structure of dimethylated rsl - CUCURBIT[7]URIL complex, C2221 form”. X-ray diffraction, 2 ligands (QQ7, NA), 1 pocket (best druggability 0.76). MolNFT v1 #148483 on GenesisL1: 3D structure…
- PDB
- 6F7W
- Type
- protein
- Length
- 268 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fucose-binding lectin protein
- UniProt
- A0A0S4TLR1
- Ligands
- QQ7, NA
- Pockets
- 1 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 0% helix, 68% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Fucose-binding lectin protein | protein | 89 | 0% helix, 69% strand | A0A0S4TLR1 |
| C | Fucose-binding lectin protein | protein | 90 | 0% helix, 67% strand | A0A0S4TLR1 |
Ligands and binding sites
- QQ7 · cucurbit[7]uril · ligand · 3 copies · chains A, B, C
- NA · Sodium ion · metal
- GOL · Glycerol · additive · 8 copies · chains A, C, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 822 | 0.76 | 0.80 | 72 | GOL |
Interfaces
3 interfaces between chains.
- B–C · 754 Ų buried · 13 hydrogen bonds · protein-protein
- A–B · 748 Ų buried · 11 hydrogen bonds · protein-protein
- A–C · 745 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified (methylation, nonstandard).
Compared structures
- 6F7W · Crystal structure of dimethylated RSL - cucurbit[7]uril complex, C2221 Form · the same entry in another collection · chain C against C, 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 6F7W · PDBe 6F7W · UniProt A0A0S4TLR1
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