MolNFT v1 · #177109 · protein
Crystal structure of rsl mutant in complex with ligand
7E7R · Fucose-binding lectin PROTEIN,FUCOSE-binding lectin…: “Crystal structure of rsl mutant in complex with ligand”. X-ray diffraction, 1 ligand (R2F), 5 pockets (best druggability 0.75). MolNFT v1 #177109 on GenesisL1: 3D structure…
- PDB
- 7E7R
- Type
- protein
- Length
- 514 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
- 5 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 0% helix, 70% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fucose-binding lectin PROTEIN,FUCOSE-binding lectin PROTEIN,FUCOSE-binding lectin protein | protein | 256 | 0% helix, 70% strand | A0A0S4TLR1 |
| B | Fucose-binding lectin PROTEIN,FUCOSE-binding lectin PROTEIN,FUCOSE-binding lectin protein | protein | 258 | 0% helix, 70% 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 · 6 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, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 583 | 0.75 | 0.82 | 55 | empty |
| 2 | 578 | 0.73 | 0.81 | 62 | empty |
| 3 | 243 | 0.63 | 0.81 | 38 | empty |
| 4 | 139 | 0.54 | 0.81 | 32 | empty |
| 5 | 58 | 0.26 | 0.73 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 492 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 7E7R · Crystal structure of RSL mutant in complex with 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 7E7R · PDBe 7E7R · UniProt A0A0S4TLR1
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