MolNFT v1 · #108354 · protein
Crystal structure of escherichia COLI tryptophanase in 'semi-holo' form
4W1Y: “Crystal structure of escherichia COLI tryptophanase in 'semi-holo' form”. X-ray diffraction, 1 ligand (SO4), 8 pockets (best druggability 0.58). MolNFT v1 #108354 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4W1Y
- Type
- protein
- Length
- 868 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tryptophanase
- EC
- 4.1.99.1
- UniProt
- P0A853
- Ligands
- SO4
- Pockets
- 8 · best druggability 0.58
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tryptophanase (EC 4.1.99.1) | protein | 435 | 45% helix, 12% strand | P0A853 |
| B | Tryptophanase (EC 4.1.99.1) | protein | 433 | 42% helix, 15% strand | P0A853 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 2 copies · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 251 | 0.58 | 0.79 | 34 | empty |
| 2 | 286 | 0.50 | 0.74 | 43 | SO4 |
| 3 | 205 | 0.49 | 0.76 | 24 | empty |
| 4 | 124 | 0.47 | 0.79 | 24 | empty |
| 5 | 103 | 0.43 | 0.78 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 1965 Ų buried · 45 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 modified (cofactor).
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 P0A853
- Elsewhere: RCSB PDB 4W1Y · PDBe 4W1Y · UniProt P0A853
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.