Research workbench
Crystal structure of rsl mutant in complex with sugar ligand
Analyse Crystal structure of rsl mutant in complex with sugar ligand in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7E7U
- Type
- protein
- Length
- 536 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fucose-binding lectin PROTEIN,FUCOSE-binding lectin PROTEIN,FUCOSE-binding lectin protein
- UniProt
- A0A0S4TLR1
- Ligands
- R2F
- Pockets
- 8 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 0% helix, 65% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fucose-binding lectin PROTEIN,FUCOSE-binding lectin PROTEIN,FUCOSE-binding lectin protein | protein | 266 | 0% helix, 65% strand | A0A0S4TLR1 |
| B | Fucose-binding lectin PROTEIN,FUCOSE-binding lectin PROTEIN,FUCOSE-binding lectin protein | protein | 270 | 0% helix, 66% strand | A0A0S4TLR1 |
Ligands and binding sites
- R2F · 2-[2-[4-[[(2R,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-1,2,3-triazol-1-yl]ethoxy]ethyl 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzoate · ligand · 4 copies · chains A, B
- GOL · Glycerol · additive · 8 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 570 | 0.75 | 0.83 | 61 | empty |
| 2 | 724 | 0.74 | 0.80 | 78 | empty |
| 3 | 149 | 0.64 | 0.87 | 22 | empty |
| 4 | 81 | 0.42 | 0.79 | 18 | GOL |
| 5 | 93 | 0.39 | 0.76 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 555 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 7E7U · Crystal structure of RSL mutant in complex with sugar Ligand · 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 7E7U · PDBe 7E7U · UniProt A0A0S4TLR1
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