MolNFT v1 · #20910 · protein
X-ray structure of PF1337, a tena homologue from pyrococcus furiosus. northeast structural genomics research consortium (nesg) target PFR34
1RTW · Transcriptional activator, putative: “X-ray structure of PF1337, a tena homologue from pyrococcus furiosus. northeast structural genomics research…”. X-ray diffraction, 2 ligands (MP5, PO4), 4 pockets (best druggability 0.81).…
- PDB
- 1RTW
- Type
- protein
- Length
- 829 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional activator, putative
- UniProt
- Q8U189
- Ligands
- MP5, PO4
- Pockets
- 4 · best druggability 0.81
Structure
x-ray diffraction · 3 distinct chains · 82% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Transcriptional activator, putative | protein | 206 | 82% helix, 0% strand | Q8U189 |
| B | Transcriptional activator, putative | protein | 209 | 80% helix, 0% strand | Q8U189 |
| C | Transcriptional activator, putative | protein | 208 | 82% helix, 0% strand | Q8U189 |
Ligands and binding sites
- MP5 · (4-amino-2-methylpyrimidin-5-yl)methyl dihydrogen phosphate · ligand · chains A
- PO4 · Phosphate ion · ion · 3 copies · chains B, C, D
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 | 1066 | 0.81 | 0.82 | 92 | empty |
| 2 | 108 | 0.79 | 0.98 | 24 | empty |
| 3 | 503 | 0.74 | 0.83 | 41 | empty |
| 4 | 455 | 0.70 | 0.81 | 34 | empty |
Interfaces
6 interfaces between chains.
- C–D · 864 Ų buried · 9 hydrogen bonds · protein-protein
- A–B · 861 Ų buried · 12 hydrogen bonds · protein-protein
- A–D · 601 Ų buried · 4 hydrogen bonds · protein-protein
- A–C · 515 Ų buried · 1 hydrogen bond · protein-protein
- B–D · 478 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 20 modified (engineered).
Compared structures
- 1RTW · X-ray Structure of PF1337, a TenA Homologue 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 Q8U189
- Elsewhere: RCSB PDB 1RTW · PDBe 1RTW · UniProt Q8U189
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