MolNFT v1 · #148467 · protein
Tryptophan repressor trpr from E.COLI with 5-methyltryptamine
6F7G · TRP operon repressor: “Tryptophan repressor trpr from E.COLI with 5-methyltryptamine”. X-ray diffraction, 1 ligand (CVW), 2 pockets (best druggability 0.49). MolNFT v1 #148467 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6F7G
- Type
- protein
- Length
- 201 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- TRP operon repressor
- UniProt
- P0A881
- Ligands
- CVW
- Pockets
- 2 · best druggability 0.49
Structure
x-ray diffraction · 2 distinct chains · 81% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | TRP operon repressor | protein | 103 | 80% helix, 0% strand | P0A881 |
| C | TRP operon repressor | protein | 98 | 82% helix, 0% strand | P0A881 |
Ligands and binding sites
- CVW · 2-(5-methyl-1~{H}-indol-3-yl)ethanamine · ligand · 2 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 88 | 0.49 | 0.82 | 20 | CVW |
| 2 | 69 | 0.45 | 0.82 | 15 | CVW |
Interfaces
1 interface between chains.
- A–C · 2359 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
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 6F7G · PDBe 6F7G · UniProt P0A881
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