MolNFT v1 · #98711 · protein
Structure of the N-terminal domain of the lg-FLO1 adhesin (N-lg-FLO1P) from the yeast saccharomyces pastorianus, in complex with calcium and alpha-1,2-mannobiose
4LHK · Flocculin: “Structure of the N-terminal domain of the lg-FLO1 adhesin (N-lg-FLO1P) from the yeast saccharomyces…”. X-ray diffraction, 2 ligands (MAN, CA), 2 pockets (best druggability 0.37). MolNFT v1 #98711 on GenesisL1: 3D…
- PDB
- 4LHK
- Type
- protein
- Length
- 434 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Flocculin
- UniProt
- B3IUB3
- Ligands
- MAN, CA
- Pockets
- 2 · best druggability 0.37
Structure
x-ray diffraction · 1 distinct chain · 7% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Flocculin | protein | 217 | 7% helix, 41% strand | B3IUB3 |
Ligands and binding sites
- MAN · alpha-D-mannopyranose · sugar · 4 copies · chains A, B
- CA · Calcium ion · metal · 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 | 68 | 0.37 | 0.78 | 26 | empty |
| 2 | 59 | 0.30 | 0.75 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 478 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 4LHK · Structure of the N-terminal domain of the Lg-Flo1 adhesin (N-Lg-Flo1p) from the yeast… · 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 B3IUB3
- Elsewhere: RCSB PDB 4LHK · PDBe 4LHK · UniProt B3IUB3
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