MolNFT v1 · #177106 · protein
Crystal structure of rsl mutant-R17A/R108A/R199A in complex with R3F
7E7N · Fucose-binding lectin PROTEIN,FUCOSE-binding lectin…: “Crystal structure of rsl mutant-R17A/R108A/R199A in complex with R3F”. X-ray diffraction, 1 ligand (R3F), 2 pockets (best druggability 0.74). MolNFT v1 #177106 on GenesisL1: 3D…
- PDB
- 7E7N
- Type
- protein
- Length
- 259 residues
- Chains
- 1
- 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
- R3F
- Pockets
- 2 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 0% helix, 68% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fucose-binding lectin PROTEIN,FUCOSE-binding lectin PROTEIN,FUCOSE-binding lectin protein | protein | 259 | 0% helix, 68% strand | A0A0S4TLR1 |
Ligands and binding sites
- R3F · 2-[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]ethoxy]ethyl 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzoate · ligand · 3 copies · chains A
- GOL · Glycerol · additive · 3 copies · chains A
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 | 631 | 0.74 | 0.81 | 62 | empty |
| 2 | 55 | 0.29 | 0.75 | 17 | GOL |
Compared structures
- 7E7N · Crystal structure of RSL mutant-R17A/R108A/R199A in complex with R3F · 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 7E7N · PDBe 7E7N · UniProt A0A0S4TLR1
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