MolNFT v1 · #185384 · protein
X-ray crystal structure of perdeuterated lecb lectin in complex with perdeuterated fucose
7PSY · Fucose-binding lectin: “X-ray crystal structure of perdeuterated lecb lectin in complex with perdeuterated fucose”. X-ray diffraction, 3 ligands (FUC, CA, SO4), 2 pockets (best druggability 0.33). MolNFT v1 #185384 on GenesisL1: 3D…
- PDB
- 7PSY
- Type
- protein
- Length
- 456 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fucose-binding lectin
- UniProt
- A0A069Q9V4
- Ligands
- FUC, CA, SO4
- Pockets
- 2 · best druggability 0.33
Structure
x-ray diffraction · 1 distinct chain · 0% helix, 62% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Fucose-binding lectin | protein | 114 | 0% helix, 62% strand | A0A069Q9V4 |
Ligands and binding sites
- FUC · alpha-L-fucopyranose · sugar · 4 copies · chains A, B, C, D
- CA · Calcium ion · metal · 8 copies · chains A, B, C, D
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 94 | 0.33 | 0.74 | 18 | empty |
| 2 | 90 | 0.31 | 0.72 | 19 | empty |
Interfaces
6 interfaces between chains.
- C–D · 1342 Ų buried · 19 hydrogen bonds · protein-protein
- A–B · 1319 Ų buried · 20 hydrogen bonds · protein-protein
- B–C · 522 Ų buried · 12 hydrogen bonds · protein-protein
- A–D · 517 Ų buried · 12 hydrogen bonds · protein-protein
- B–D · 241 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 7PSY · X-ray crystal structure of perdeuterated LecB lectin in complex with perdeuterated fucose · 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 A0A069Q9V4
- Elsewhere: RCSB PDB 7PSY · PDBe 7PSY · UniProt A0A069Q9V4
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