Research workbench
Crystal structures and thermostability of mutant TRAP3 A7 (ENGINEERED TRAP)
Analyse Crystal structures and thermostability of mutant TRAP3 A7 (ENGINEERED TRAP) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2ZCZ
- Type
- protein
- Length
- 415 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.8
- Source
- Geobacillus stearothermophilus
- Molecule
- Transcription attenuation protein mtrB
- UniProt
- Q9X6J6
- Ligands
- TRP
- Pockets
- 7 · best druggability 0.77
Structure
x-ray diffraction · resolution 1.8 · 4 distinct chains · 0% helix, 60% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Transcription attenuation protein mtrB | protein | 73 | 0% helix, 60% strand | Q9X6J6 |
| B | Transcription attenuation protein mtrB | protein | 69 | 0% helix, 58% strand | Q9X6J6 |
| C, F | Transcription attenuation protein mtrB | protein | 66 | 0% helix, 62% strand | Q9X6J6 |
| E | Transcription attenuation protein mtrB | protein | 68 | 0% helix, 59% strand | Q9X6J6 |
Ligands and binding sites
- TRP · Tryptophan · ligand · 6 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 90 | 0.77 | 0.98 | 20 | TRP |
| 2 | 84 | 0.75 | 0.97 | 20 | TRP |
| 3 | 84 | 0.75 | 0.97 | 20 | TRP |
| 4 | 87 | 0.73 | 0.96 | 20 | TRP |
| 5 | 398 | 0.63 | 0.78 | 28 | empty |
Interfaces
7 interfaces between chains.
- A–B · 1140 Ų buried · 16 hydrogen bonds · protein-protein
- D–E · 1116 Ų buried · 17 hydrogen bonds · protein-protein
- E–F · 1053 Ų buried · 14 hydrogen bonds · protein-protein
- B–C · 1040 Ų buried · 12 hydrogen bonds · protein-protein
- A–D · 406 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 2ZCZ · Crystal structures and thermostability of mutant TRAP3 A7 (engineered trap) · the same entry in another collection · chain F against F, TM-score 1.00
- Q9X6J6 · AlphaFold monomer V2.0 prediction for transcription attenuation protein mtrb (Q9X6J6) · a predicted model of the same protein · chain F against A, TM-score 0.98
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 2ZCZ · PDBe 2ZCZ · UniProt Q9X6J6
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