MolNFT v1 · #26668 · protein
Crystal structure of the terminal oxygenase component of carbazole 1, 9A-dioxygenase, a non-heme iron oxygenase system catalyzing the novel angular dioxygenation for carbazole and dioxin
1WW9: “Crystal structure of the terminal oxygenase component of carbazole 1, 9A-dioxygenase, a non-heme iron…”. X-ray diffraction, 2 ligands (FES, FE2), 4 pockets (best druggability 0.73). MolNFT v1 #26668 on GenesisL1: 3D structure…
- PDB
- 1WW9
- Type
- protein
- Length
- 389 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Terminal oxygenase component of carbazole
- EC
- 1.14.12.-
- UniProt
- Q84II6
- Ligands
- FES, FE2
- Pockets
- 4 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 29% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Terminal oxygenase component of carbazole (EC 1.14.12.-) | protein | 389 | 29% helix, 32% strand | Q84II6 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 240 | 0.73 | 0.88 | 36 | empty |
| 2 | 51 | 0.45 | 0.85 | 14 | empty |
| 3 | 110 | 0.40 | 0.75 | 18 | empty |
| 4 | 77 | 0.29 | 0.72 | 16 | empty |
Compared structures
- 1WW9 · Crystal structure of the terminal oxygenase component of carbazole 1,9a-dioxygenase, a… · 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 Q84II6
- Elsewhere: RCSB PDB 1WW9 · PDBe 1WW9 · UniProt Q84II6
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