MolNFT v1 · #19140 · protein
Regulatory features of the TRP operon and the crystal structure of the TRP RNA-binding attenuation protein from bacillus stearothermophilus.
1QAW: “Regulatory features of the TRP operon and the crystal structure of the TRP RNA-binding attenuation protein…”. X-ray diffraction, 1 ligand (TRP), 11 pockets (best druggability 0.77). MolNFT v1 #19140 on GenesisL1: 3D structure…
- PDB
- 1QAW
- Type
- protein
- Length
- 749 residues
- Chains
- 11
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- TRP RNA-binding attenuation protein
- UniProt
- Q9X6J6
- Ligands
- TRP
- Pockets
- 11 · best druggability 0.77
Structure
x-ray diffraction · 4 distinct chains · 0% helix, 62% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, G, I, J | TRP RNA-binding attenuation protein | protein | 67 | 0% helix, 63% strand | Q9X6J6 |
| B | TRP RNA-binding attenuation protein | protein | 70 | 0% helix, 63% strand | Q9X6J6 |
| C, D, E | TRP RNA-binding attenuation protein | protein | 69 | 0% helix, 61% strand | Q9X6J6 |
| F, H, K | TRP RNA-binding attenuation protein | protein | 68 | 0% helix, 62% strand | Q9X6J6 |
Ligands and binding sites
- TRP · Tryptophan · ligand · 11 copies · chains A, B, C, D, E, F, G, H, I, J, K
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 97 | 0.77 | 0.98 | 20 | TRP |
| 2 | 100 | 0.77 | 0.97 | 21 | TRP |
| 3 | 97 | 0.77 | 0.97 | 21 | TRP |
| 4 | 100 | 0.76 | 0.97 | 22 | TRP |
| 5 | 105 | 0.76 | 0.97 | 21 | TRP |
Interfaces
11 interfaces between chains.
- A–K · 1124 Ų buried · 14 hydrogen bonds · protein-protein
- B–C · 1100 Ų buried · 15 hydrogen bonds · protein-protein
- A–B · 1100 Ų buried · 14 hydrogen bonds · protein-protein
- E–F · 1095 Ų buried · 16 hydrogen bonds · protein-protein
- F–G · 1086 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 1QAW · Regulatory Features of the TRP Operon and the Crystal Structure of the TRP RNA-Binding… · the same entry in another collection · chain K against K, TM-score 1.00
- Q9X6J6 · AlphaFold monomer V2.0 prediction for transcription attenuation protein mtrb (Q9X6J6) · a predicted model of the same protein · chain K against A, TM-score 0.99
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 Q9X6J6
- Elsewhere: RCSB PDB 1QAW · PDBe 1QAW · UniProt Q9X6J6
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