MolNFT v1 · #35620 · protein
Crystal structure of hypothetical PROTEIN(AQ1494) from aquifex aeolicus
2EGR · Hypothetical protein AQ_1494: “Crystal structure of hypothetical PROTEIN(AQ1494) from aquifex aeolicus”. X-ray diffraction, 3 pockets (best druggability 0.61). MolNFT v1 #35620 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 2EGR
- Type
- protein
- Length
- 252 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical protein AQ_1494
- UniProt
- O67466
- Pockets
- 3 · best druggability 0.61
Structure
x-ray diffraction · 1 distinct chain · 28% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Hypothetical protein AQ_1494 | protein | 126 | 28% helix, 45% strand | O67466 |
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 133 | 0.61 | 0.85 | 32 | empty |
| 2 | 140 | 0.60 | 0.84 | 27 | empty |
| 3 | 145 | 0.43 | 0.75 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 925 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 2EGR · Crystal Structure of Hypothetical Protein(AQ1494) from Aquifex aeolicus · the same entry in another collection · chain A against A, 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 2EGR · PDBe 2EGR · UniProt O67466
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