MolNFT v1 · #15471 · protein
Crystal structure of a monooxygenase from the gene actva-ORF6 of streptomyces coelicolor in complex with the ligand acetyl dithranol
1N5S · Actva-ORF6 monooxygenase: “Crystal structure of a monooxygenase from the gene actva-ORF6 of streptomyces coelicolor in complex with the…”. X-ray diffraction, 2 ligands (1PG, ADL), 3 pockets (best druggability 0.68). MolNFT v1 #15471…
- PDB
- 1N5S
- Type
- protein
- Length
- 224 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Actva-ORF6 monooxygenase
- UniProt
- Q53908
- Ligands
- 1PG, ADL
- Pockets
- 3 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Actva-ORF6 monooxygenase | protein | 112 | 30% helix, 34% strand | Q53908 |
Ligands and binding sites
- 1PG · 2-(2-{2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethanol · ligand · chains A
- ADL · (1,8-dihydroxy-9-oxo-9,10-dihydro-anthracen-2-yl)-acetic acid · ligand · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 115 | 0.68 | 0.90 | 23 | ADL |
| 2 | 185 | 0.61 | 0.82 | 25 | 1PG |
| 3 | 78 | 0.38 | 0.77 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 1616 Ų buried · 33 hydrogen bonds · protein-protein
Compared structures
- 1N5S · Crystal structure of a Monooxygenase from the gene ActVA-Orf6 of Streptomyces coelicolor… · 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 Q53908
- Elsewhere: RCSB PDB 1N5S · PDBe 1N5S · UniProt Q53908
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