MolNFT v1 · #49111 · protein
Crystal structure of a putative methyltransferase (TFU_2867) from thermobifida fusca yx at 1.95 a resolution
2QE6 · Uncharacterized protein TFU_2867: “Crystal structure of a putative methyltransferase (TFU_2867) from thermobifida fusca yx at 1.95 a resolution”. X-ray diffraction, 2 ligands (SAM, SO4), 4 pockets (best druggability 0.82). MolNFT v1…
- PDB
- 2QE6
- Type
- protein
- Length
- 532 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein TFU_2867
- UniProt
- Q47KX2
- Ligands
- SAM, SO4
- Pockets
- 4 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Uncharacterized protein TFU_2867 | protein | 266 | 44% helix, 15% strand | Q47KX2 |
Ligands and binding sites
- SAM · S-adenosylmethionine · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 8 copies · chains A, B
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 375 | 0.82 | 0.91 | 55 | SO4, SAM, MPD |
| 2 | 358 | 0.81 | 0.90 | 52 | SAM, MPD |
| 3 | 68 | 0.66 | 0.93 | 18 | MPD |
| 4 | 58 | 0.62 | 0.92 | 18 | MPD |
Modifications
Observed in the structure: 14 modified (engineered, phosphorylation).
Compared structures
- 2QE6 · Crystal structure of a putative methyltransferase (TFU_2867) from thermobifida fusca yx… · 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 Q47KX2
- Elsewhere: RCSB PDB 2QE6 · PDBe 2QE6 · UniProt Q47KX2
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