Research workbench
Crystal structure of a monooxygenase from the gene actva-ORF6 of streptomyces coelicolor in complex with dehydrated sancycline
Analyse Crystal structure of a monooxygenase from the gene actva-ORF6 of streptomyces… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1N5Q
- Type
- protein
- Length
- 224 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Actava-ORF6 monooxygenase
- UniProt
- Q53908
- Ligands
- TNC
- Pockets
- 3 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 32% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Actava-ORF6 monooxygenase | protein | 112 | 32% helix, 35% strand | Q53908 |
Ligands and binding sites
- TNC · 4-dimethylamino-1,10,11,12-tetrahydroxy-3-oxo-3,4,4A,5-tetrahydro-naphthacene-2-carboxylic acid amide · ligand · chains B
- P6G · Hexaethylene glycol · additive · chains A, 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 | 117 | 0.68 | 0.90 | 22 | TNC |
| 2 | 169 | 0.59 | 0.82 | 27 | P6G |
| 3 | 94 | 0.42 | 0.78 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1631 Ų buried · 35 hydrogen bonds · protein-protein
Compared structures
- 1N5Q · 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 1N5Q · PDBe 1N5Q · UniProt Q53908
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