MolNFT v1 · #19023 · protein
X-ray crystal structure of putative universal stress protein from aquifex aeolicus
1Q77 · Hypothetical protein AQ_178: “X-ray crystal structure of putative universal stress protein from aquifex aeolicus”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.52). MolNFT v1 #19023 on GenesisL1: 3D structure…
- PDB
- 1Q77
- Type
- protein
- Length
- 276 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical protein AQ_178
- UniProt
- O66565
- Ligands
- SO4
- Pockets
- 2 · best druggability 0.52
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Hypothetical protein AQ_178 | protein | 138 | 46% helix, 19% strand | O66565 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · chains 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 62 | 0.52 | 0.86 | 16 | empty |
| 2 | 90 | 0.36 | 0.75 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 867 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide, 2 modified (disulfide, engineered).
Compared structures
- 1Q77 · X-ray crystal structure of putative Universal Stress Protein from Aquifex aeolicus · the same entry in another collection · chain A against A, TM-score 1.00
- O66565 · AlphaFold monomer V2.0 prediction for universal stress protein AQ_178 (O66565) · a predicted model of the same protein · chain A against A, TM-score 0.94
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 O66565
- Elsewhere: RCSB PDB 1Q77 · PDBe 1Q77 · UniProt O66565
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