MolNFT v1 · #147778 · protein
Tryptophan repressor trpr from E.COLI variant T44L S88Y with indole-3- acetic acid as ligand
6ENI · TRP operon repressor: “Tryptophan repressor trpr from E.COLI variant T44L S88Y with indole-3- acetic acid as ligand”. X-ray diffraction, 1 ligand (IAC), 2 pockets (best druggability 0.51). MolNFT v1 #147778 on GenesisL1: 3D…
- PDB
- 6ENI
- Type
- protein
- Length
- 209 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- TRP operon repressor
- UniProt
- P0A881
- Ligands
- IAC
- Pockets
- 2 · best druggability 0.51
Structure
x-ray diffraction · 2 distinct chains · 81% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | TRP operon repressor | protein | 104 | 82% helix, 0% strand | P0A881 |
| B | TRP operon repressor | protein | 105 | 81% helix, 0% strand | P0A881 |
Ligands and binding sites
- IAC · 1H-indol-3-ylacetic acid · ligand · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 91 | 0.51 | 0.83 | 17 | IAC |
| 2 | 66 | 0.50 | 0.85 | 12 | IAC |
Interfaces
1 interface between chains.
- A–B · 2297 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 6ENI · Tryptophan Repressor TrpR from E.coli variant T44L S88Y with Indole-3-acetic acid as… · the same entry in another collection · chain A against A, TM-score 1.00
- P0A881 · AlphaFold monomer V2.0 prediction for TRP operon repressor (P0A881) · a predicted model of the same protein · chain A against A, TM-score 0.88
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 P0A881
- Elsewhere: RCSB PDB 6ENI · PDBe 6ENI · UniProt P0A881
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