Research workbench
Crystal structure of a hypothetical PROTEIN(AQ1494) from aquifex aeolicus
Analyse Crystal structure of a hypothetical PROTEIN(AQ1494) from aquifex aeolicus in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2EGI
- Type
- protein
- Length
- 930 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical protein AQ_1494
- UniProt
- O67466
- Pockets
- 16 · best druggability 0.78
Structure
x-ray diffraction · 8 distinct chains · 25% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypothetical protein AQ_1494 | protein | 123 | 26% helix, 44% strand | O67466 |
| C | Hypothetical protein AQ_1494 | protein | 126 | 27% helix, 44% strand | O67466 |
| D | Hypothetical protein AQ_1494 | protein | 125 | 27% helix, 46% strand | O67466 |
| E | Hypothetical protein AQ_1494 | protein | 125 | 26% helix, 45% strand | O67466 |
| F | Hypothetical protein AQ_1494 | protein | 123 | 26% helix, 47% strand | O67466 |
| G | Hypothetical protein AQ_1494 | protein | 113 | 24% helix, 40% strand | O67466 |
| H | Hypothetical protein AQ_1494 | protein | 97 | 22% helix, 51% strand | O67466 |
| I | Hypothetical protein AQ_1494 | protein | 98 | 20% helix, 53% strand | O67466 |
Ligands and binding sites
- GOL · Glycerol · additive · chains H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 235 | 0.78 | 0.91 | 40 | empty |
| 2 | 223 | 0.77 | 0.91 | 38 | empty |
| 3 | 234 | 0.76 | 0.90 | 38 | empty |
| 4 | 316 | 0.75 | 0.87 | 47 | empty |
| 5 | 191 | 0.73 | 0.89 | 42 | empty |
Interfaces
14 interfaces between chains.
- A–C · 965 Ų buried · 19 hydrogen bonds · protein-protein
- D–F · 900 Ų buried · 15 hydrogen bonds · protein-protein
- C–G · 883 Ų buried · 14 hydrogen bonds · protein-protein
- E–I · 878 Ų buried · 15 hydrogen bonds · protein-protein
- G–H · 868 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 2EGI · Crystal Structure of a Hypothetical Protein(AQ1494) from Aquifex aeolicus · the same entry in another collection · chain I against I, TM-score 1.00
- O67466 · AlphaFold monomer V2.0 prediction for putative esterase AQ_1494 (O67466) · a predicted model of the same protein · chain A 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 O67466
- Elsewhere: RCSB PDB 2EGI · PDBe 2EGI · UniProt O67466
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