Research workbench
Crystal structure of a putative FMN-binding protein (TA1372) from thermoplasma acidophilum at 1.80 a resolution
Analyse Crystal structure of a putative FMN-binding protein (TA1372) from thermoplasma… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2FUR
- Type
- protein
- Length
- 383 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical protein
- Pockets
- 5 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 23% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypothetical protein | protein | 193 | 24% helix, 42% strand | — |
| B | Hypothetical protein | protein | 190 | 23% helix, 42% strand | — |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 199 | 0.81 | 0.95 | 23 | empty |
| 2 | 440 | 0.64 | 0.77 | 44 | empty |
| 3 | 299 | 0.59 | 0.77 | 32 | EDO |
| 4 | 77 | 0.40 | 0.78 | 17 | EDO |
| 5 | 68 | 0.37 | 0.78 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 2781 Ų buried · 22 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 modified (engineered).
Compared structures
- 2FUR · Crystal structure of a putative FMN-binding protein (TA1372) from thermoplasma… · 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
- Elsewhere: RCSB PDB 2FUR · PDBe 2FUR
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