MolNFT v1 · #17325 · protein
Crystal structure of protein of unknown function with galectin-like fold from bacillus subtilis
1OQ1 · Protein yesu: “Crystal structure of protein of unknown function with galectin-like fold from bacillus subtilis”. X-ray diffraction, 9 pockets (best druggability 0.78). MolNFT v1 #17325 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1OQ1
- Type
- protein
- Length
- 887 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein yesu
- UniProt
- O31524
- Pockets
- 9 · best druggability 0.78
Structure
x-ray diffraction · 3 distinct chains · 8% helix, 53% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Protein yesu | protein | 223 | 8% helix, 53% strand | O31524 |
| B | Protein yesu | protein | 220 | 7% helix, 54% strand | O31524 |
| C | Protein yesu | protein | 221 | 8% helix, 53% strand | O31524 |
Ligands and binding sites
- ACY · Acetic acid · additive · 4 copies · chains A, B, C, D
- GOL · Glycerol · additive · 2 copies · chains A, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 815 | 0.78 | 0.81 | 85 | ACY |
| 2 | 169 | 0.46 | 0.76 | 23 | empty |
| 3 | 173 | 0.46 | 0.75 | 29 | empty |
| 4 | 137 | 0.42 | 0.75 | 21 | empty |
| 5 | 77 | 0.41 | 0.79 | 18 | empty |
Interfaces
5 interfaces between chains.
- B–D · 788 Ų buried · 8 hydrogen bonds · protein-protein
- B–C · 421 Ų buried · 13 hydrogen bonds · protein-protein
- A–B · 278 Ų buried · 4 hydrogen bonds · protein-protein
- C–D · 274 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 84 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 32 modified (engineered).
Compared structures
- 1OQ1 · Crystal Structure of Protein of Unknown Function with Galectin-like Fold from Bacillus… · the same entry in another collection · chain A against A, TM-score 1.00
- O31524 · AlphaFold monomer V2.0 prediction for uncharacterized protein yesu (O31524) · a predicted model of the same protein · chain B 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 O31524
- Elsewhere: RCSB PDB 1OQ1 · PDBe 1OQ1 · UniProt O31524
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