Research workbench
Crystal structure of a thioesterase-like protein (CLOSPO_01618) from clostridium sporogenes atcc 15579 at 1.70 a resolution
Analyse Crystal structure of a thioesterase-like protein (CLOSPO_01618) from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4Q0Y
- Type
- protein
- Length
- 391 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein
- UniProt
- J7SH17
- Ligands
- CD
- Pockets
- 6 · best druggability 0.71
Structure
x-ray diffraction · 3 distinct chains · 19% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uncharacterized protein | protein | 131 | 19% helix, 41% strand | J7SH17 |
| B | Uncharacterized protein | protein | 132 | 19% helix, 41% strand | J7SH17 |
| C | Uncharacterized protein | protein | 128 | 19% helix, 42% strand | J7SH17 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 760 | 0.71 | 0.77 | 68 | CD |
| 2 | 152 | 0.48 | 0.77 | 23 | CD |
| 3 | 63 | 0.36 | 0.78 | 18 | CD |
| 4 | 63 | 0.33 | 0.76 | 17 | CD |
| 5 | 76 | 0.33 | 0.74 | 17 | empty |
Interfaces
3 interfaces between chains.
- A–B · 618 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 243 Ų buried · 1 hydrogen bond · protein-protein
- B–C · 228 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 modified (engineered).
Compared structures
- 4Q0Y · Crystal structure of a thioesterase-like protein (CLOSPO_01618) from Clostridium… · 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 J7SH17
- Elsewhere: RCSB PDB 4Q0Y · PDBe 4Q0Y · UniProt J7SH17
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