MolNFT v1 · #41235 · protein
N-terminal domain of tyrr transcription factor (residues 1 - 190)
2JHE · Transcription regulator tyrr: “N-terminal domain of tyrr transcription factor (residues 1 - 190)”. X-ray diffraction, 2 ligands (AE3, SO4), 12 pockets (best druggability 0.70). MolNFT v1 #41235 on GenesisL1: 3D structure, binding…
- PDB
- 2JHE
- Type
- protein
- Length
- 754 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcription regulator tyrr
- UniProt
- P07604
- Ligands
- AE3, SO4
- Pockets
- 12 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, D | Transcription regulator tyrr | protein | 189 | 34% helix, 32% strand | P07604 |
| C | Transcription regulator tyrr | protein | 187 | 32% helix, 32% strand | P07604 |
Ligands and binding sites
- AE3 · 2-(2-ethoxyethoxy)ethanol · ligand · chains A, B
- SO4 · Sulfate ion · ion · chains A, B
- PG4 · Tetraethylene glycol · additive · 2 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 175 | 0.70 | 0.88 | 37 | PG4 |
| 2 | 54 | 0.59 | 0.92 | 18 | empty |
| 3 | 192 | 0.52 | 0.77 | 25 | PG4 |
| 4 | 64 | 0.51 | 0.86 | 17 | empty |
| 5 | 189 | 0.51 | 0.77 | 25 | AE3 |
Interfaces
3 interfaces between chains.
- C–D · 1993 Ų buried · 13 hydrogen bonds · protein-protein
- A–B · 1941 Ų buried · 9 hydrogen bonds · protein-protein
- A–D · 110 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 2JHE · N-terminal domain of TyrR transcription factor (residues 1 - 190) · the same entry in another collection · chain A against A, TM-score 1.00
- P07604 · AlphaFold monomer V2.0 prediction for transcriptional regulatory protein tyrr (P07604) · a predicted model of the same protein · chain A against A, TM-score 0.68
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 P07604
- Elsewhere: RCSB PDB 2JHE · PDBe 2JHE · UniProt P07604
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