MolNFT v1 · #95611 · protein
Structure of the flavoprotein tryptophan-2-monooxygenase
4IV9 · Tryptophan 2-monooxygenase: “Structure of the flavoprotein tryptophan-2-monooxygenase”. X-ray diffraction, 3 ligands (FAD, TSR, PO4), 10 pockets (best druggability 0.87). MolNFT v1 #95611 on GenesisL1: 3D structure, binding sites…
- PDB
- 4IV9
- Type
- protein
- Length
- 1,104 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tryptophan 2-monooxygenase
- EC
- 1.13.12.3
- UniProt
- P06617
- Ligands
- FAD, TSR, PO4
- Pockets
- 10 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Tryptophan 2-monooxygenase (EC 1.13.12.3) | protein | 552 | 37% helix, 19% strand | P06617 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- TSR · 2-(1H-indol-3-yl)acetamide · ligand · 2 copies · chains A, B
- PO4 · Phosphate ion · ion · 2 copies · chains A
- EDO · 1,2-ethanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 627 | 0.87 | 0.92 | 105 | FAD, TSR |
| 2 | 612 | 0.86 | 0.91 | 89 | FAD, TSR |
| 3 | 150 | 0.79 | 0.96 | 48 | empty |
| 4 | 58 | 0.69 | 0.96 | 16 | empty |
| 5 | 76 | 0.61 | 0.90 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 2342 Ų buried · 31 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 P06617
- Elsewhere: RCSB PDB 4IV9 · PDBe 4IV9 · UniProt P06617
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