MolNFT v1 · #164785 · protein
Crystal structrue of rsl W31YW76Y lectin mutant in complex with alpha- methylfucoside
6T99 · Fucose-binding lectin protein: “Crystal structrue of rsl W31YW76Y lectin mutant in complex with alpha- methylfucoside”. X-ray diffraction, 2 ligands (MFU, NA), 8 pockets (best druggability 0.75). MolNFT v1 #164785 on GenesisL1: 3D…
- PDB
- 6T99
- Type
- protein
- Length
- 791 residues
- Chains
- 9
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fucose-binding lectin protein
- UniProt
- A0A0S4TLR1
- Ligands
- MFU, NA
- Pockets
- 8 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 0% helix, 69% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, D, E, F, G, H, I | Fucose-binding lectin protein | protein | 88 | 0% helix, 68% strand | A0A0S4TLR1 |
| B | Fucose-binding lectin protein | protein | 87 | 0% helix, 69% strand | A0A0S4TLR1 |
Ligands and binding sites
- MFU · methyl alpha-L-fucopyranoside · ligand · 18 copies · chains A, B, C, D, E, F, G, H, I
- NA · Sodium ion · metal · 2 copies · chains E, F, G, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 665 | 0.75 | 0.81 | 62 | empty |
| 2 | 632 | 0.75 | 0.81 | 57 | empty |
| 3 | 617 | 0.74 | 0.81 | 62 | NA |
| 4 | 344 | 0.63 | 0.79 | 34 | MFU |
| 5 | 258 | 0.56 | 0.78 | 37 | empty |
Interfaces
11 interfaces between chains.
- H–I · 785 Ų buried · 11 hydrogen bonds · protein-protein
- A–B · 767 Ų buried · 10 hydrogen bonds · protein-protein
- D–E · 763 Ų buried · 8 hydrogen bonds · protein-protein
- E–F · 757 Ų buried · 10 hydrogen bonds · protein-protein
- A–C · 746 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 6T99 · Crystal structrue of RSL W31YW76Y lectin mutant in complex with alpha-methylfucoside · 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 6T99 · PDBe 6T99 · UniProt A0A0S4TLR1
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