MolNFT v1 · #63084 · protein
Crystal structure of thioredoxin-like superfamily protein SPOA0173
3EYT · Uncharacterized protein SPOA0173: “Crystal structure of thioredoxin-like superfamily protein SPOA0173”. X-ray diffraction, 5 pockets (best druggability 0.71). MolNFT v1 #63084 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 3EYT
- Type
- protein
- Length
- 622 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein SPOA0173
- UniProt
- Q5LL54
- Pockets
- 5 · best druggability 0.71
Structure
x-ray diffraction · 4 distinct chains · 32% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uncharacterized protein SPOA0173 | protein | 156 | 32% helix, 24% strand | Q5LL54 |
| B | Uncharacterized protein SPOA0173 | protein | 154 | 33% helix, 23% strand | Q5LL54 |
| C | Uncharacterized protein SPOA0173 | protein | 157 | 32% helix, 24% strand | Q5LL54 |
| D | Uncharacterized protein SPOA0173 | protein | 155 | 32% helix, 23% strand | Q5LL54 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 3 copies · chains A, D, C
- ACY · Acetic acid · additive · 3 copies · chains A, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 374 | 0.71 | 0.83 | 59 | empty |
| 2 | 101 | 0.62 | 0.88 | 24 | empty |
| 3 | 200 | 0.58 | 0.81 | 27 | EDO |
| 4 | 53 | 0.52 | 0.87 | 15 | empty |
| 5 | 117 | 0.37 | 0.74 | 24 | empty |
Interfaces
5 interfaces between chains.
- C–D · 746 Ų buried · 5 hydrogen bonds · protein-protein
- A–B · 735 Ų buried · 4 hydrogen bonds · protein-protein
- A–D · 434 Ų buried · 9 hydrogen bonds · protein-protein
- B–C · 423 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 153 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 28 modified (engineered).
Compared structures
- 3EYT · Crystal structure of Thioredoxin-like superfamily protein SPOA0173 · the same entry in another collection · chain A against A, TM-score 1.00
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 Q5LL54
- Elsewhere: RCSB PDB 3EYT · PDBe 3EYT · UniProt Q5LL54
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