MolNFT v1 · #109051 · protein
Structure of the toluene 4-monooxygenase NADH oxidoreductase T4MOF, K270S K271S variant
4WQM · Toluene-4-monooxygenase electron transfer component: “Structure of the toluene 4-monooxygenase NADH oxidoreductase T4MOF, K270S K271S variant”. X-ray diffraction, 3 ligands (FES, FAD, NI), 1 pocket (best druggability 0.73). MolNFT…
- PDB
- 4WQM
- Type
- protein
- Length
- 326 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Toluene-4-monooxygenase electron transfer component
- EC
- 1.18.1.3
- UniProt
- Q03304
- Ligands
- FES, FAD, NI
- Pockets
- 1 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 24% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Toluene-4-monooxygenase electron transfer component (EC 1.18.1.3) | protein | 326 | 24% helix, 32% strand | Q03304 |
Ligands and binding sites
- FES · Fe2/s2 (inorganic) cluster · ligand · chains A
- FAD · Flavin-adenine dinucleotide · ligand · chains A
- NI · Nickel (II) ion · metal · 4 copies · chains A
- BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol · additive · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 806 | 0.73 | 0.78 | 94 | FAD |
Compared structures
- 4WQM · Structure of the toluene 4-monooxygenase NADH oxidoreductase T4moF, K270S K271S variant · the same entry in another collection · chain A against A, TM-score 1.00
- Q03304 · AlphaFold monomer V2.0 prediction for toluene-4-monooxygenase system, ferredoxin--NAD(+)… · a predicted model of the same protein · 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 Q03304
- Elsewhere: RCSB PDB 4WQM · PDBe 4WQM · UniProt Q03304
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.