MolNFT v1 · #151630 · protein
X-ray structure of the tryptophan lyase nosl in complex with (R)-(+)- indoline-2-carboxylate
6HTK · 3-methyl-2-indolic acid synthase: “X-ray structure of the tryptophan lyase nosl in complex with (R)-(+)- indoline-2-carboxylate”. X-ray diffraction, 6 ligands (SF4, 5AD, ICB), 6 pockets (best druggability 0.79). MolNFT v1 #151630 on…
- PDB
- 6HTK
- Type
- protein
- Length
- 769 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-methyl-2-indolic acid synthase
- UniProt
- C6FX51
- Ligands
- SF4, 5AD, ICB, NA, K, BR
- Pockets
- 6 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3-methyl-2-indolic acid synthase | protein | 386 | 40% helix, 12% strand | C6FX51 |
| B | 3-methyl-2-indolic acid synthase | protein | 383 | 40% helix, 12% strand | C6FX51 |
Ligands and binding sites
- SF4 · Iron/sulfur cluster · ligand · 2 copies · chains A, B
- 5AD · 5'-deoxyadenosine · ligand · 2 copies · chains A, B
- ICB · 1H-indole-2-carboxylic acid · ligand · 2 copies · chains A, B
- NA · Sodium ion · metal · 2 copies · chains A, B
- K · Potassium ion · metal · chains B
- BR · Bromide ion · ion · 6 copies · chains A, B
- GOL · Glycerol · additive · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 97 | 0.79 | 0.99 | 31 | ICB |
| 2 | 84 | 0.76 | 0.98 | 26 | ICB |
| 3 | 167 | 0.50 | 0.78 | 28 | empty |
| 4 | 86 | 0.40 | 0.78 | 18 | empty |
| 5 | 53 | 0.37 | 0.80 | 11 | empty |
Interfaces
1 interface between chains.
- A–B · 619 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent, 2 modified (covalent ligand, nonstandard).
Compared structures
- 6HTK · X-ray structure of the tryptophan lyase NosL in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
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 C6FX51
- Elsewhere: RCSB PDB 6HTK · PDBe 6HTK · UniProt C6FX51
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.