MolNFT v1 · #98609 · protein
Structure of the ALS3 adhesin from candida albicans, residues 1-313 (mature sequence), triple mutant in the binding cavity: K59M, A116V, Y301F
4LEE · Agglutinin-like protein 3: “Structure of the ALS3 adhesin from candida albicans, residues 1-313 (mature sequence), triple mutant in the…”. X-ray diffraction, 12 pockets (best druggability 0.75). MolNFT v1 #98609 on GenesisL1: 3D…
- PDB
- 4LEE
- Type
- protein
- Length
- 1,252 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Agglutinin-like protein 3
- UniProt
- O74623
- Pockets
- 12 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 3% helix, 54% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Agglutinin-like protein 3 | protein | 313 | 3% helix, 54% strand | O74623 |
Pockets
12 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 627 | 0.75 | 0.81 | 61 | empty |
| 2 | 543 | 0.72 | 0.81 | 57 | empty |
| 3 | 545 | 0.71 | 0.80 | 54 | empty |
| 4 | 424 | 0.70 | 0.81 | 45 | empty |
| 5 | 298 | 0.69 | 0.83 | 40 | empty |
Interfaces
3 interfaces between chains.
- B–C · 590 Ų buried · 5 hydrogen bonds · protein-protein
- A–D · 580 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 435 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 14 disulfide (disulfide).
Compared structures
- 4LEE · Structure of the Als3 adhesin from Candida albicans, residues 1-313 (mature sequence)… · the same entry in another collection · chain D against D, TM-score 1.00
- O74623 · AlphaFold monomer V2.0 prediction for agglutinin-like protein 3 (O74623) · a predicted model of the same protein · chain D against A, TM-score 0.99
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 O74623
- Elsewhere: RCSB PDB 4LEE · PDBe 4LEE · UniProt O74623
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