MolNFT v1 · #37869 · protein
Crystal structure of a putative thioesterase (SSO2295) from sulfolobus solfataricus at 1.91 a resolution
2GF6 · Conserved hypothetical protein: “Crystal structure of a putative thioesterase (SSO2295) from sulfolobus solfataricus at 1.91 a resolution”. X-ray diffraction, 2 ligands (COA, CA), 6 pockets (best druggability 0.64). MolNFT v1 #37869…
- PDB
- 2GF6
- Type
- protein
- Length
- 516 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Conserved hypothetical protein
- UniProt
- Q97WD2
- Ligands
- COA, CA
- Pockets
- 6 · best druggability 0.64
Structure
x-ray diffraction · 3 distinct chains · 22% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Conserved hypothetical protein | protein | 134 | 25% helix, 43% strand | Q97WD2 |
| C | Conserved hypothetical protein | protein | 125 | 22% helix, 48% strand | Q97WD2 |
| D | Conserved hypothetical protein | protein | 123 | 19% helix, 46% strand | Q97WD2 |
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, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 144 | 0.64 | 0.86 | 26 | empty |
| 2 | 156 | 0.61 | 0.84 | 29 | empty |
| 3 | 55 | 0.53 | 0.87 | 14 | empty |
| 4 | 59 | 0.51 | 0.85 | 17 | empty |
| 5 | 202 | 0.47 | 0.75 | 37 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1098 Ų buried · 14 hydrogen bonds · protein-protein
- C–D · 592 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 429 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 modified (engineered).
Compared structures
- 2GF6 · Crystal structure of a putative thioesterase (SSO2295) from sulfolobus solfataricus at… · 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 Q97WD2
- Elsewhere: RCSB PDB 2GF6 · PDBe 2GF6 · UniProt Q97WD2
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