MolNFT v1 · #80544 · protein
Crystal structure of the tRNA modifier tias from pyrococcus furiosus, northeast structural genomics consortium target PFR225
3U02 · Putative transcription-associated protein tfiis: “Crystal structure of the tRNA modifier tias from pyrococcus furiosus, northeast structural genomics…”. X-ray diffraction, 1 ligand (SO4), 20 pockets (best druggability 0.78). MolNFT…
- PDB
- 3U02
- Type
- protein
- Length
- 933 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative transcription-associated protein tfiis
- UniProt
- Q8TZX0
- Ligands
- SO4
- Pockets
- 20 · best druggability 0.78
Structure
x-ray diffraction · 4 distinct chains · 34% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative transcription-associated protein tfiis | protein | 240 | 33% helix, 26% strand | Q8TZX0 |
| B | Putative transcription-associated protein tfiis | protein | 244 | 34% helix, 26% strand | Q8TZX0 |
| C | Putative transcription-associated protein tfiis | protein | 226 | 34% helix, 27% strand | Q8TZX0 |
| D | Putative transcription-associated protein tfiis | protein | 223 | 35% helix, 27% strand | Q8TZX0 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 14 copies · chains A, C, B, D
- CIT · Citric acid · additive · 3 copies · chains A, B, D
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains A, B, D
- ACY · Acetic acid · additive · chains C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 497 | 0.78 | 0.85 | 67 | SO4 |
| 2 | 453 | 0.75 | 0.84 | 63 | SO4, ACY |
| 3 | 285 | 0.68 | 0.83 | 39 | empty |
| 4 | 169 | 0.68 | 0.87 | 28 | empty |
| 5 | 206 | 0.59 | 0.81 | 40 | SO4 |
Interfaces
6 interfaces between chains.
- C–D · 1934 Ų buried · 23 hydrogen bonds · protein-protein
- A–B · 1879 Ų buried · 23 hydrogen bonds · protein-protein
- B–D · 1485 Ų buried · 19 hydrogen bonds · protein-protein
- A–C · 1484 Ų buried · 22 hydrogen bonds · protein-protein
- A–D · 284 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 20 modified (engineered, phosphorylation).
Compared structures
- 3U02 · Crystal Structure of the tRNA modifier TiaS from Pyrococcus furiosus, Northeast… · 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 Q8TZX0
- Elsewhere: RCSB PDB 3U02 · PDBe 3U02 · UniProt Q8TZX0
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