MolNFT v1 · #47328 · protein
Crystal structure of protein RHA08564, thioesterase superfamily protein
2OV9 · Hypothetical protein: “Crystal structure of protein RHA08564, thioesterase superfamily protein”. X-ray diffraction, 1 ligand (SO4), 13 pockets (best druggability 0.71). MolNFT v1 #47328 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2OV9
- Type
- protein
- Length
- 807 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical protein
- UniProt
- Q0S4E1
- Ligands
- SO4
- Pockets
- 13 · best druggability 0.71
Structure
x-ray diffraction · 4 distinct chains · 29% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypothetical protein | protein | 203 | 29% helix, 27% strand | Q0S4E1 |
| B | Hypothetical protein | protein | 205 | 29% helix, 27% strand | Q0S4E1 |
| C | Hypothetical protein | protein | 206 | 29% helix, 27% strand | Q0S4E1 |
| D | Hypothetical protein | protein | 193 | 31% helix, 27% strand | Q0S4E1 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · chains C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 613 | 0.71 | 0.79 | 68 | empty |
| 2 | 122 | 0.59 | 0.85 | 23 | empty |
| 3 | 289 | 0.59 | 0.78 | 43 | empty |
| 4 | 71 | 0.58 | 0.89 | 18 | empty |
| 5 | 61 | 0.55 | 0.88 | 17 | empty |
Interfaces
3 interfaces between chains.
- C–D · 3436 Ų buried · 35 hydrogen bonds · protein-protein
- A–B · 3408 Ų buried · 36 hydrogen bonds · protein-protein
- B–C · 627 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified (engineered).
Compared structures
- 2OV9 · Crystal structure of protein RHA08564, thioesterase superfamily protein · 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 Q0S4E1
- Elsewhere: RCSB PDB 2OV9 · PDBe 2OV9 · UniProt Q0S4E1
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